- candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ able=10.0 structure=0.75 smooth=1.0 volume=0.01 rsupport=1.0 tsupport=1.5 q uality=0.2 violation=0.0 Peak 2 (9.32, 0.59, 22.44 ppm): 2 chemical-shift based assignments, quality = 0.0802, support = 4.51, residual support = 52.8: HN ILE 29 - QD1 LEU 23 50.000% * 63.7877% (0.11 3.42 14.54) = 63.788% kept * HN LEU 23 - QD1 LEU 23 50.000% * 36.2123% (0.03 6.44 120.22) = 36.212% kept Peak 3 (9.05, 1.10, 22.32 ppm): 4 chemical-shift based assignments, quality = 0.3, support = 3.47, residual support = 22.5: * HN THR 79 - QG2 THR 79 25.000% * 80.9263% (0.32 4.13 27.82) = 80.926% kept HN GLY 30 - QG2 THR 79 25.000% * 11.9274% (0.27 0.72 0.20) = 11.927% kept HN LYS+ 66 - QG2 THR 79 25.000% * 6.8439% (0.18 0.61 0.02) = 6.844% kept HN GLU- 54 - QG2 THR 79 25.000% * 0.3024% (0.24 0.02 0.02) = 0.302% Peak 4 (8.81, -0.03, 22.36 ppm): 4 chemical-shift based assignments, quality = 0.729, support = 2.08, residual support = 8.59: HN LYS+ 60 - QD1 LEU 74 25.000% * 40.3651% (0.76 2.08 1.30) = 40.365% kept HN LYS+ 32 - QD1 LEU 74 25.000% * 22.5832% (0.94 0.94 0.57) = 22.583% kept * HN SER 69 - QD1 LEU 74 25.000% * 18.7571% (0.15 4.79 41.97) = 18.757% kept HN ASN 57 - QD1 LEU 74 25.000% * 18.2945% (0.99 0.73 0.34) = 18.295% kept Peak 5 (8.60, 1.38, 22.40 ppm): 4 chemical-shift based assignments, quality = 0.607, support = 2.56, residual support = 2.73: * HN THR 39 - QG2 THR 39 25.000% * 38.3844% (0.56 3.05 5.79) = 38.384% kept HN VAL 80 - QG2 THR 39 25.000% * 37.2764% (0.52 3.19 1.10) = 37.276% kept HN LYS+ 20 - QG2 THR 39 25.000% * 17.0114% (0.99 0.77 0.50) = 17.011% kept HN VAL 73 - QG2 THR 39 25.000% * 7.3278% (0.37 0.88 0.18) = 7.328% kept Peak 6 (8.47, -0.03, 22.34 ppm): 6 chemical-shift based assignments, quality = 0.696, support = 4.2, residual support = 93.1: * HN LEU 74 - QD1 LEU 74 16.667% * 58.4108% (0.53 6.48 159.05) = 58.411% kept HN GLU- 107 - QD1 LEU 74 16.667% * 21.1063% (0.98 1.26 0.72) = 21.106% kept HN GLY 92 - QD1 LEU 74 16.667% * 14.0778% (0.98 0.84 0.25) = 14.078% kept HN LYS+ 113 - QD1 LEU 74 16.667% * 6.0563% (0.73 0.49 0.02) = 6.056% kept HN GLU- 18 - QD1 LEU 74 16.667% * 0.2079% (0.61 0.02 0.02) = 0.208% HN GLU- 10 - QD1 LEU 74 16.667% * 0.1409% (0.41 0.02 0.02) = 0.141% Peak 7 (7.34, 4.28, 63.84 ppm): 7 chemical-shift based assignments, quality = 0.194, support = 0.739, residual support = 2.4: HZ2 TRP 51 - HA VAL 122 14.286% * 56.5565% (0.26 0.63 3.23) = 56.556% kept HN ARG+ 84 - HA VAL 122 14.286% * 37.6292% (0.10 1.02 1.53) = 37.629% kept HZ PHE 34 - HA VAL 122 14.286% * 1.8092% (0.26 0.02 0.02) = 1.809% kept QE PHE 34 - HA VAL 122 14.286% * 1.8092% (0.26 0.02 0.02) = 1.809% kept QD PHE 34 - HA VAL 122 14.286% * 0.9540% (0.14 0.02 0.02) = 0.954% HN VAL 47 - HA VAL 122 14.286% * 0.8057% (0.11 0.02 0.02) = 0.806% HE22 GLN 102 - HA VAL 122 14.286% * 0.4363% (0.06 0.02 0.02) = 0.436% Not enough quality. Peak unassigned. Peak 8 (7.33, 0.11, 22.44 ppm): 6 chemical-shift based assignments, quality = 0.797, support = 3.03, residual support = 35.6: * HN VAL 47 - QG2 VAL 47 16.667% * 42.4619% (0.67 5.00 79.67) = 42.462% kept QE PHE 34 - QG2 VAL 47 16.667% * 20.6818% (0.97 1.68 2.97) = 20.682% kept QD PHE 34 - QG2 VAL 47 16.667% * 20.6461% (0.75 2.18 2.97) = 20.646% kept HZ PHE 34 - QG2 VAL 47 16.667% * 10.0981% (0.97 0.82 2.97) = 10.098% kept HZ2 TRP 51 - QG2 VAL 47 16.667% * 5.9520% (0.97 0.48 3.62) = 5.952% kept HN ARG+ 84 - QG2 VAL 47 16.667% * 0.1600% (0.63 0.02 0.02) = 0.160% Peak 9 (7.21, 0.58, 22.44 ppm): 2 chemical-shift based assignments, quality = 0.217, support = 2.58, residual support = 17.3: * HH2 TRP 51 - QD1 LEU 23 50.000% * 57.1682% (0.21 3.00 17.32) = 57.168% kept HN TRP 51 - QD1 LEU 23 50.000% * 42.8318% (0.23 2.02 17.32) = 42.832% kept Peak 10 (7.07, -0.03, 22.30 ppm): 2 chemical-shift based assignments, quality = 0.731, support = 1.55, residual support = 2.53: * QD TYR 83 - QD1 LEU 74 50.000% * 90.6950% (0.78 1.65 2.78) = 90.695% kept QE PHE 21 - QD1 LEU 74 50.000% * 9.3050% (0.24 0.54 0.17) = 9.305% kept Peak 11 (7.02, 0.11, 22.43 ppm): 1 chemical-shift based assignment, quality = 0.515, support = 1.04, residual support = 4.77: * QE PHE 21 - QG2 VAL 47 100.000% *100.0000% (0.52 1.04 4.77) = 100.000% kept Peak 12 (6.90, 0.11, 22.43 ppm): 3 chemical-shift based assignments, quality = 0.643, support = 1.64, residual support = 3.23: * QD PHE 21 - QG2 VAL 47 33.333% * 66.5243% (0.59 2.21 4.77) = 66.524% kept HD22 ASN 15 - QG2 VAL 47 33.333% * 20.8193% (0.95 0.44 0.11) = 20.819% kept HD21 ASN 119 - QG2 VAL 47 33.333% * 12.6563% (0.40 0.62 0.26) = 12.656% kept Peak 13 (6.73, 0.58, 22.44 ppm): 2 chemical-shift based assignments, quality = 0.179, support = 2.43, residual support = 12.9: * HZ3 TRP 51 - QD1 LEU 23 50.000% * 73.5817% (0.16 3.03 17.32) = 73.582% kept QE TYR 83 - QD1 LEU 23 50.000% * 26.4183% (0.23 0.76 0.70) = 26.418% kept Peak 14 (4.84, 4.05, 63.83 ppm): 8 chemical-shift based assignments, quality = 0.398, support = 1.11, residual support = 1.58: HB THR 39 - HB3 SER 85 12.500% * 33.5301% (0.33 1.47 2.34) = 33.530% kept HA THR 96 - HB3 SER 85 12.500% * 29.4990% (0.62 0.68 0.51) = 29.499% kept HA GLU- 18 - HB3 SER 85 12.500% * 28.8007% (0.29 1.39 2.22) = 28.801% kept HA ASP- 115 - HB3 SER 85 12.500% * 6.1624% (0.36 0.24 0.02) = 6.162% kept HA THR 96 - HA VAL 125 12.500% * 0.7768% (0.55 0.02 0.02) = 0.777% HA ASP- 115 - HA VAL 125 12.500% * 0.4507% (0.32 0.02 0.02) = 0.451% HB THR 39 - HA VAL 125 12.500% * 0.4096% (0.29 0.02 0.02) = 0.410% HA GLU- 18 - HA VAL 125 12.500% * 0.3706% (0.26 0.02 0.02) = 0.371% Peak 15 (4.83, 3.86, 63.83 ppm): 20 chemical-shift based assignments, quality = 0.491, support = 1.23, residual support = 1.86: HB THR 39 - HB2 SER 85 5.000% * 40.5831% (0.56 1.42 2.34) = 40.583% kept HA GLU- 18 - HB2 SER 85 5.000% * 37.6952% (0.52 1.42 2.22) = 37.695% kept HA THR 96 - HB2 SER 85 5.000% * 14.6720% (0.41 0.71 0.51) = 14.672% kept HA ASP- 115 - HB2 SER 85 5.000% * 2.9827% (0.20 0.30 0.02) = 2.983% kept HA LEU 23 - HB3 SER 88 5.000% * 1.3058% (0.04 0.73 0.14) = 1.306% kept HB THR 39 - HB3 SER 27 5.000% * 0.5579% (0.55 0.02 0.02) = 0.558% HA GLU- 18 - HB3 SER 27 5.000% * 0.5185% (0.51 0.02 0.02) = 0.518% HA THR 96 - HB3 SER 27 5.000% * 0.4051% (0.40 0.02 0.02) = 0.405% HA ASP- 115 - HB3 SER 27 5.000% * 0.1950% (0.19 0.02 0.02) = 0.195% HA LEU 23 - HB2 SER 85 5.000% * 0.1768% (0.17 0.02 0.02) = 0.177% HA LEU 23 - HB3 SER 27 5.000% * 0.1726% (0.17 0.02 0.37) = 0.173% HB THR 39 - HB3 SER 77 5.000% * 0.1169% (0.11 0.02 0.02) = 0.117% HB THR 39 - HB3 SER 88 5.000% * 0.1157% (0.11 0.02 0.02) = 0.116% HA GLU- 18 - HB3 SER 77 5.000% * 0.1086% (0.11 0.02 0.02) = 0.109% HA GLU- 18 - HB3 SER 88 5.000% * 0.1075% (0.11 0.02 0.02) = 0.108% HA THR 96 - HB3 SER 77 5.000% * 0.0849% (0.08 0.02 0.02) = 0.085% HA THR 96 - HB3 SER 88 5.000% * 0.0840% (0.08 0.02 0.02) = 0.084% HA ASP- 115 - HB3 SER 77 5.000% * 0.0409% (0.04 0.02 0.02) = 0.041% HA ASP- 115 - HB3 SER 88 5.000% * 0.0405% (0.04 0.02 0.02) = 0.040% HA LEU 23 - HB3 SER 77 5.000% * 0.0362% (0.04 0.02 0.02) = 0.036% Peak 16 (4.79, 1.38, 22.41 ppm): 4 chemical-shift based assignments, quality = 0.297, support = 0.966, residual support = 4.66: * O HB THR 39 - QG2 THR 39 25.000% * 80.0757% (0.15 10.0 1.10 5.79) = 80.076% kept HA ASN 15 - QG2 THR 39 25.000% * 19.2624% (0.91 1.0 0.44 0.13) = 19.262% kept HA LEU 23 - QG2 THR 39 25.000% * 0.4966% (0.52 1.0 0.02 0.02) = 0.497% HA GLU- 18 - QG2 THR 39 25.000% * 0.1653% (0.17 1.0 0.02 0.02) = 0.165% Peak 17 (4.80, 0.58, 22.43 ppm): 4 chemical-shift based assignments, quality = 0.183, support = 5.07, residual support = 118.8: * HA LEU 23 - QD1 LEU 23 25.000% * 98.8443% (0.19 5.13 120.22) = 98.844% kept HB THR 39 - QD1 LEU 23 25.000% * 0.6870% (0.09 0.08 0.02) = 0.687% HA ASN 15 - QD1 LEU 23 25.000% * 0.2695% (0.13 0.02 0.02) = 0.269% HA GLU- 18 - QD1 LEU 23 25.000% * 0.1992% (0.10 0.02 0.02) = 0.199% Peak 19 (4.52, 1.38, 22.37 ppm): 14 chemical-shift based assignments, quality = 0.339, support = 1.96, residual support = 14.7: HB THR 79 - QG2 THR 39 7.143% * 76.7043% (0.37 2.30 16.04) = 76.704% kept * HB THR 79 - HG2 LYS+ 78 7.143% * 9.2870% (0.06 1.68 22.64) = 9.287% kept HA LEU 17 - QG2 THR 39 7.143% * 3.4604% (0.28 0.14 0.02) = 3.460% kept HA SER 77 - QG2 THR 39 7.143% * 3.1502% (0.13 0.26 0.02) = 3.150% kept HA SER 77 - HG2 LYS+ 78 7.143% * 2.2709% (0.02 1.14 14.12) = 2.271% kept HB THR 46 - QG2 THR 39 7.143% * 1.6434% (0.92 0.02 0.02) = 1.643% kept HA ALA 103 - QG2 THR 39 7.143% * 1.2928% (0.72 0.02 0.02) = 1.293% kept HA LYS+ 55 - QG2 THR 39 7.143% * 1.1517% (0.64 0.02 0.02) = 1.152% kept HB THR 46 - HG2 LYS+ 78 7.143% * 0.2720% (0.15 0.02 0.02) = 0.272% HA CYS 123 - QG2 THR 39 7.143% * 0.2409% (0.13 0.02 0.02) = 0.241% HA ALA 103 - HG2 LYS+ 78 7.143% * 0.2140% (0.12 0.02 0.02) = 0.214% HA LYS+ 55 - HG2 LYS+ 78 7.143% * 0.1906% (0.11 0.02 0.02) = 0.191% HA LEU 17 - HG2 LYS+ 78 7.143% * 0.0819% (0.05 0.02 0.02) = 0.082% HA CYS 123 - HG2 LYS+ 78 7.143% * 0.0399% (0.02 0.02 0.02) = 0.040% Peak 20 (4.44, 1.54, 22.45 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HB THR 24 - QG2 THR 24 Peak unassigned. Peak 21 (4.38, 3.90, 63.86 ppm): 60 chemical-shift based assignments, quality = 0.343, support = 1.88, residual support = 6.38: * O T HA SER 27 - HB3 SER 27 1.667% * 80.4523% (0.40 10.0 10.00 2.00 5.99) = 80.452% kept O T HA SER 88 - HB3 SER 88 1.667% * 8.9676% (0.04 10.0 10.00 1.72 12.96) = 8.968% kept HA2 GLY 26 - HB3 SER 27 1.667% * 5.7790% (0.27 1.0 1.00 2.09 6.98) = 5.779% kept T HA SER 88 - HB2 SER 85 1.667% * 1.6122% (0.19 1.0 10.00 0.08 0.02) = 1.612% kept T HA SER 88 - HB3 SER 27 1.667% * 0.6456% (0.32 1.0 10.00 0.02 0.02) = 0.646% T HA SER 27 - HB3 SER 77 1.667% * 0.5573% (0.07 1.0 10.00 0.08 0.02) = 0.557% T HA SER 27 - HB2 SER 85 1.667% * 0.4740% (0.23 1.0 10.00 0.02 0.02) = 0.474% T HA SER 27 - HB3 SER 88 1.667% * 0.1117% (0.06 1.0 10.00 0.02 0.02) = 0.112% T HA SER 88 - HB3 SER 77 1.667% * 0.1063% (0.05 1.0 10.00 0.02 0.02) = 0.106% HA ALA 37 - HB3 SER 27 1.667% * 0.0806% (0.40 1.0 1.00 0.02 0.02) = 0.081% HA LYS+ 60 - HB3 SER 27 1.667% * 0.0790% (0.39 1.0 1.00 0.02 0.02) = 0.079% HA TRP 51 - HB3 SER 27 1.667% * 0.0778% (0.39 1.0 1.00 0.02 0.10) = 0.078% HA ALA 91 - HB3 SER 27 1.667% * 0.0723% (0.36 1.0 1.00 0.02 0.02) = 0.072% HB THR 61 - HB3 SER 27 1.667% * 0.0646% (0.32 1.0 1.00 0.02 0.02) = 0.065% HA ALA 37 - HB2 SER 85 1.667% * 0.0475% (0.24 1.0 1.00 0.02 0.02) = 0.048% HA LYS+ 60 - HB2 SER 85 1.667% * 0.0466% (0.23 1.0 1.00 0.02 0.02) = 0.047% HA TRP 51 - HB2 SER 85 1.667% * 0.0458% (0.23 1.0 1.00 0.02 0.02) = 0.046% HA ALA 91 - HB2 SER 85 1.667% * 0.0426% (0.21 1.0 1.00 0.02 0.02) = 0.043% HA ALA 37 - HB2 SER 77 1.667% * 0.0419% (0.21 1.0 1.00 0.02 0.02) = 0.042% HA SER 27 - HB2 SER 77 1.667% * 0.0418% (0.21 1.0 1.00 0.02 0.02) = 0.042% HA LYS+ 60 - HB2 SER 77 1.667% * 0.0411% (0.20 1.0 1.00 0.02 0.02) = 0.041% HA TRP 51 - HB2 SER 77 1.667% * 0.0405% (0.20 1.0 1.00 0.02 0.02) = 0.040% HB THR 61 - HB2 SER 85 1.667% * 0.0380% (0.19 1.0 1.00 0.02 0.02) = 0.038% HA ALA 91 - HB2 SER 77 1.667% * 0.0376% (0.19 1.0 1.00 0.02 0.02) = 0.038% HA SER 88 - HB2 SER 77 1.667% * 0.0336% (0.17 1.0 1.00 0.02 0.02) = 0.034% HB THR 61 - HB2 SER 77 1.667% * 0.0336% (0.17 1.0 1.00 0.02 0.02) = 0.034% HA ASN 57 - HB3 SER 27 1.667% * 0.0331% (0.16 1.0 1.00 0.02 0.02) = 0.033% HA2 GLY 26 - HB2 SER 85 1.667% * 0.0326% (0.16 1.0 1.00 0.02 0.02) = 0.033% HA THR 95 - HB3 SER 27 1.667% * 0.0303% (0.15 1.0 1.00 0.02 0.02) = 0.030% HA2 GLY 26 - HB2 SER 77 1.667% * 0.0288% (0.14 1.0 1.00 0.02 0.02) = 0.029% HA PRO 104 - HB3 SER 27 1.667% * 0.0224% (0.11 1.0 1.00 0.02 0.15) = 0.022% HA ASN 57 - HB2 SER 85 1.667% * 0.0195% (0.10 1.0 1.00 0.02 0.02) = 0.020% HA THR 95 - HB2 SER 85 1.667% * 0.0178% (0.09 1.0 1.00 0.02 0.02) = 0.018% HA ASN 57 - HB2 SER 77 1.667% * 0.0172% (0.09 1.0 1.00 0.02 0.02) = 0.017% HA THR 95 - HB2 SER 77 1.667% * 0.0157% (0.08 1.0 1.00 0.02 0.02) = 0.016% HA ALA 37 - HB3 SER 77 1.667% * 0.0133% (0.07 1.0 1.00 0.02 0.02) = 0.013% HA PRO 104 - HB2 SER 85 1.667% * 0.0132% (0.07 1.0 1.00 0.02 0.02) = 0.013% HA LYS+ 60 - HB3 SER 77 1.667% * 0.0130% (0.06 1.0 1.00 0.02 0.02) = 0.013% HA TRP 51 - HB3 SER 77 1.667% * 0.0128% (0.06 1.0 1.00 0.02 0.02) = 0.013% HA PRO 112 - HB3 SER 27 1.667% * 0.0124% (0.06 1.0 1.00 0.02 0.02) = 0.012% HA ALA 91 - HB3 SER 77 1.667% * 0.0119% (0.06 1.0 1.00 0.02 0.02) = 0.012% HA PRO 104 - HB2 SER 77 1.667% * 0.0117% (0.06 1.0 1.00 0.02 0.02) = 0.012% HA ALA 37 - HB3 SER 88 1.667% * 0.0112% (0.06 1.0 1.00 0.02 0.02) = 0.011% HA LYS+ 60 - HB3 SER 88 1.667% * 0.0110% (0.05 1.0 1.00 0.02 0.02) = 0.011% HA TRP 51 - HB3 SER 88 1.667% * 0.0108% (0.05 1.0 1.00 0.02 0.02) = 0.011% HB THR 61 - HB3 SER 77 1.667% * 0.0106% (0.05 1.0 1.00 0.02 0.02) = 0.011% HA ALA 91 - HB3 SER 88 1.667% * 0.0100% (0.05 1.0 1.00 0.02 0.02) = 0.010% HA2 GLY 26 - HB3 SER 77 1.667% * 0.0091% (0.05 1.0 1.00 0.02 0.02) = 0.009% HB THR 61 - HB3 SER 88 1.667% * 0.0090% (0.04 1.0 1.00 0.02 0.02) = 0.009% HA2 GLY 26 - HB3 SER 88 1.667% * 0.0077% (0.04 1.0 1.00 0.02 0.02) = 0.008% HA PRO 112 - HB2 SER 85 1.667% * 0.0073% (0.04 1.0 1.00 0.02 0.02) = 0.007% HA PRO 112 - HB2 SER 77 1.667% * 0.0065% (0.03 1.0 1.00 0.02 0.02) = 0.006% HA ASN 57 - HB3 SER 77 1.667% * 0.0055% (0.03 1.0 1.00 0.02 0.02) = 0.005% HA THR 95 - HB3 SER 77 1.667% * 0.0050% (0.02 1.0 1.00 0.02 0.02) = 0.005% HA ASN 57 - HB3 SER 88 1.667% * 0.0046% (0.02 1.0 1.00 0.02 0.02) = 0.005% HA THR 95 - HB3 SER 88 1.667% * 0.0042% (0.02 1.0 1.00 0.02 0.02) = 0.004% HA PRO 104 - HB3 SER 77 1.667% * 0.0037% (0.02 1.0 1.00 0.02 0.02) = 0.004% HA PRO 104 - HB3 SER 88 1.667% * 0.0031% (0.02 1.0 1.00 0.02 0.02) = 0.003% HA PRO 112 - HB3 SER 77 1.667% * 0.0020% (0.01 1.0 1.00 0.02 0.02) = 0.002% HA PRO 112 - HB3 SER 88 1.667% * 0.0017% (0.01 1.0 1.00 0.02 0.02) = 0.002% Peak 27 (4.10, 1.54, 22.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HA THR 24 - QG2 THR 24 Peak unassigned. Peak 28 (4.05, 4.06, 63.78 ppm): 4 diagonal assignments: * HA VAL 125 - HA VAL 125 (0.86) kept HB3 SER 85 - HB3 SER 85 (0.64) kept HB2 SER 49 - HB2 SER 49 (0.11) kept HB3 SER 49 - HB3 SER 49 (0.02) kept Peak 29 (4.02, 1.38, 22.37 ppm): 10 chemical-shift based assignments, quality = 0.69, support = 1.73, residual support = 11.1: * HA THR 38 - QG2 THR 39 10.000% * 74.5884% (0.76 2.10 14.77) = 74.588% kept HB THR 95 - QG2 THR 39 10.000% * 19.8699% (0.56 0.75 0.17) = 19.870% kept HB3 SER 85 - QG2 THR 39 10.000% * 4.0467% (0.22 0.39 2.34) = 4.047% kept HA VAL 13 - QG2 THR 39 10.000% * 0.9277% (0.99 0.02 0.02) = 0.928% HA VAL 13 - HG2 LYS+ 78 10.000% * 0.1555% (0.17 0.02 0.02) = 0.155% HB3 SER 49 - QG2 THR 39 10.000% * 0.1455% (0.16 0.02 0.02) = 0.146% HA THR 38 - HG2 LYS+ 78 10.000% * 0.1191% (0.13 0.02 0.02) = 0.119% HB THR 95 - HG2 LYS+ 78 10.000% * 0.0882% (0.09 0.02 0.02) = 0.088% HB3 SER 85 - HG2 LYS+ 78 10.000% * 0.0347% (0.04 0.02 0.02) = 0.035% HB3 SER 49 - HG2 LYS+ 78 10.000% * 0.0244% (0.03 0.02 0.02) = 0.024% Peak 30 (3.95, -0.03, 22.35 ppm): 3 chemical-shift based assignments, quality = 0.989, support = 6.19, residual support = 158.8: * T HA LEU 74 - QD1 LEU 74 33.333% * 99.8617% (0.99 10.00 6.20 159.05) = 99.862% kept HA1 GLY 114 - QD1 LEU 74 33.333% * 0.1005% (1.00 1.00 0.02 0.02) = 0.101% HB THR 96 - QD1 LEU 74 33.333% * 0.0378% (0.37 1.00 0.02 0.02) = 0.038% Peak 33 (3.88, 4.05, 63.82 ppm): 20 chemical-shift based assignments, quality = 0.497, support = 1.07, residual support = 4.99: * O HB2 SER 85 - HB3 SER 85 5.000% * 60.1307% (0.31 10.0 1.00 1.00 7.04) = 60.131% kept HD2 PRO 86 - HB3 SER 85 5.000% * 28.1353% (0.90 1.0 1.00 1.60 2.67) = 28.135% kept HD2 PRO 116 - HB3 SER 85 5.000% * 5.2163% (0.89 1.0 1.00 0.30 0.02) = 5.216% kept T HB3 SER 77 - HB3 SER 85 5.000% * 1.3232% (0.34 1.0 10.00 0.02 0.02) = 1.323% kept HB3 SER 27 - HA VAL 125 5.000% * 1.2005% (0.56 1.0 1.00 0.11 0.02) = 1.201% kept T HB3 SER 88 - HB3 SER 85 5.000% * 1.0882% (0.28 1.0 10.00 0.02 0.02) = 1.088% kept HD2 PRO 86 - HA VAL 125 5.000% * 0.3624% (0.92 1.0 1.00 0.02 0.02) = 0.362% HD2 PRO 116 - HA VAL 125 5.000% * 0.3592% (0.91 1.0 1.00 0.02 0.02) = 0.359% HD3 PRO 35 - HA VAL 125 5.000% * 0.3497% (0.89 1.0 1.00 0.02 0.55) = 0.350% HD3 PRO 35 - HB3 SER 85 5.000% * 0.3402% (0.87 1.0 1.00 0.02 0.02) = 0.340% HA GLU- 45 - HA VAL 125 5.000% * 0.2344% (0.60 1.0 1.00 0.02 0.02) = 0.234% HA GLU- 45 - HB3 SER 85 5.000% * 0.2281% (0.58 1.0 1.00 0.02 0.02) = 0.228% HB3 SER 27 - HB3 SER 85 5.000% * 0.2138% (0.54 1.0 1.00 0.02 0.02) = 0.214% HA2 GLY 114 - HA VAL 125 5.000% * 0.1360% (0.35 1.0 1.00 0.02 0.02) = 0.136% HB3 SER 77 - HA VAL 125 5.000% * 0.1360% (0.35 1.0 1.00 0.02 0.02) = 0.136% HA2 GLY 114 - HB3 SER 85 5.000% * 0.1323% (0.34 1.0 1.00 0.02 0.02) = 0.132% HB2 SER 85 - HA VAL 125 5.000% * 0.1236% (0.31 1.0 1.00 0.02 0.02) = 0.124% HB3 SER 88 - HA VAL 125 5.000% * 0.1118% (0.28 1.0 1.00 0.02 0.02) = 0.112% HB2 SER 77 - HA VAL 125 5.000% * 0.0904% (0.23 1.0 1.00 0.02 0.02) = 0.090% HB2 SER 77 - HB3 SER 85 5.000% * 0.0879% (0.22 1.0 1.00 0.02 0.02) = 0.088% Peak 34 (3.86, 3.85, 63.84 ppm): 4 diagonal assignments: * HB2 SER 85 - HB2 SER 85 (0.94) kept HB3 SER 27 - HB3 SER 27 (0.72) kept HB3 SER 88 - HB3 SER 88 (0.21) kept HB3 SER 77 - HB3 SER 77 (0.20) kept Peak 35 (3.87, 3.49, 63.84 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 36 (3.75, 3.72, 63.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 37 (3.59, 3.87, 63.87 ppm): 15 chemical-shift based assignments, quality = 0.382, support = 0.0679, residual support = 0.0437: HD2 PRO 104 - HB3 SER 27 6.667% * 17.7876% (0.70 0.02 0.15) = 17.788% kept HD2 PRO 104 - HB2 SER 77 6.667% * 16.0526% (0.04 0.32 0.02) = 16.053% kept HD2 PRO 104 - HB2 SER 85 6.667% * 15.7092% (0.62 0.02 0.02) = 15.709% kept HD2 PRO 31 - HB3 SER 27 6.667% * 12.8877% (0.51 0.02 0.02) = 12.888% kept HD2 PRO 31 - HB2 SER 85 6.667% * 11.3819% (0.45 0.02 0.02) = 11.382% kept HD2 PRO 104 - HB3 SER 77 6.667% * 4.4777% (0.18 0.02 0.02) = 4.478% kept HD2 PRO 112 - HB3 SER 27 6.667% * 4.2900% (0.17 0.02 0.02) = 4.290% kept HD2 PRO 104 - HB3 SER 88 6.667% * 4.2380% (0.17 0.02 0.02) = 4.238% kept HD2 PRO 112 - HB2 SER 85 6.667% * 3.7887% (0.15 0.02 0.02) = 3.789% kept HD2 PRO 31 - HB3 SER 77 6.667% * 3.2442% (0.13 0.02 0.02) = 3.244% kept HD2 PRO 31 - HB3 SER 88 6.667% * 3.0706% (0.12 0.02 0.02) = 3.071% kept HD2 PRO 112 - HB3 SER 77 6.667% * 1.0799% (0.04 0.02 0.02) = 1.080% kept HD2 PRO 112 - HB3 SER 88 6.667% * 1.0221% (0.04 0.02 0.02) = 1.022% kept HD2 PRO 31 - HB2 SER 77 6.667% * 0.7275% (0.03 0.02 0.02) = 0.728% HD2 PRO 112 - HB2 SER 77 6.667% * 0.2422% (0.01 0.02 0.02) = 0.242% Not enough support, support cutoff is 0.27 Peak unassigned. Peak 39 (3.52, 0.11, 22.43 ppm): 3 chemical-shift based assignments, quality = 0.902, support = 3.58, residual support = 20.7: * T HA LYS+ 44 - QG2 VAL 47 33.333% * 97.3509% (0.90 10.00 3.66 21.28) = 97.351% kept HA1 GLY 26 - QG2 VAL 47 33.333% * 2.6348% (0.78 1.00 0.62 0.02) = 2.635% kept HB2 SER 69 - QG2 VAL 47 33.333% * 0.0143% (0.13 1.00 0.02 0.02) = 0.014% Peak 40 (3.53, -0.03, 22.30 ppm): 3 chemical-shift based assignments, quality = 0.481, support = 3.48, residual support = 36.2: * T HB2 SER 69 - QD1 LEU 74 33.333% * 86.1943% (0.40 10.00 3.90 41.97) = 86.194% kept HA LYS+ 44 - QD1 LEU 74 33.333% * 10.2302% (0.95 1.00 1.01 0.61) = 10.230% kept HA1 GLY 26 - QD1 LEU 74 33.333% * 3.5755% (0.98 1.00 0.34 0.02) = 3.576% kept Peak 41 (3.08, 0.11, 22.44 ppm): 3 chemical-shift based assignments, quality = 0.847, support = 3.24, residual support = 79.6: * O T HA VAL 47 - QG2 VAL 47 33.333% * 99.9502% (0.85 10.0 10.00 3.24 79.67) = 99.950% kept HB3 ASP- 25 - QG2 VAL 47 33.333% * 0.0320% (0.27 1.0 1.00 0.02 0.02) = 0.032% HB3 TRP 51 - QG2 VAL 47 33.333% * 0.0178% (0.15 1.0 1.00 0.02 3.62) = 0.018% Peak 43 (2.26, 0.95, 22.31 ppm): 24 chemical-shift based assignments, quality = 0.728, support = 0.728, residual support = 0.493: T HB VAL 80 - QG2 VAL 62 4.167% * 26.7251% (0.73 10.00 1.00 0.90) = 26.725% kept T HG2 PRO 112 - QG2 VAL 73 4.167% * 20.1657% (0.85 10.00 0.65 0.41) = 20.166% kept T HB VAL 80 - QG2 VAL 73 4.167% * 19.0018% (0.75 10.00 0.69 0.58) = 19.002% kept T HB3 PRO 112 - QG2 VAL 62 4.167% * 14.9124% (0.56 10.00 0.73 0.10) = 14.912% kept T HG2 PRO 112 - QG2 VAL 62 4.167% * 14.6627% (0.82 10.00 0.49 0.10) = 14.663% kept T HB3 PRO 112 - QG2 VAL 73 4.167% * 1.7879% (0.58 10.00 0.08 0.41) = 1.788% kept HB3 GLU- 45 - QG2 VAL 73 4.167% * 1.3171% (0.30 1.00 1.22 1.63) = 1.317% kept HB3 GLU- 45 - QG2 VAL 62 4.167% * 0.7666% (0.29 1.00 0.73 0.50) = 0.767% HG3 GLU- 54 - QG2 VAL 73 4.167% * 0.0633% (0.87 1.00 0.02 0.02) = 0.063% HG3 GLU- 107 - QG2 VAL 73 4.167% * 0.0622% (0.85 1.00 0.02 0.12) = 0.062% HG3 GLU- 54 - QG2 VAL 62 4.167% * 0.0612% (0.84 1.00 0.02 0.02) = 0.061% HG3 GLU- 107 - QG2 VAL 62 4.167% * 0.0601% (0.82 1.00 0.02 0.02) = 0.060% HB3 LYS+ 117 - QG2 VAL 73 4.167% * 0.0508% (0.70 1.00 0.02 0.14) = 0.051% HG3 GLU- 75 - QG2 VAL 73 4.167% * 0.0508% (0.70 1.00 0.02 0.02) = 0.051% HG3 GLU- 75 - QG2 VAL 62 4.167% * 0.0491% (0.67 1.00 0.02 0.02) = 0.049% HB3 LYS+ 117 - QG2 VAL 62 4.167% * 0.0491% (0.67 1.00 0.02 0.02) = 0.049% HB3 ASN 15 - QG2 VAL 73 4.167% * 0.0385% (0.53 1.00 0.02 0.02) = 0.038% HB3 ASN 15 - QG2 VAL 62 4.167% * 0.0372% (0.51 1.00 0.02 0.02) = 0.037% HG3 GLU- 10 - QG2 VAL 73 4.167% * 0.0284% (0.39 1.00 0.02 0.02) = 0.028% HG3 GLU- 10 - QG2 VAL 62 4.167% * 0.0275% (0.38 1.00 0.02 0.02) = 0.028% HG3 GLN 16 - QG2 VAL 73 4.167% * 0.0261% (0.36 1.00 0.02 0.02) = 0.026% HG3 GLN 16 - QG2 VAL 62 4.167% * 0.0252% (0.35 1.00 0.02 0.02) = 0.025% HB2 LYS+ 44 - QG2 VAL 73 4.167% * 0.0158% (0.22 1.00 0.02 0.02) = 0.016% HB2 LYS+ 44 - QG2 VAL 62 4.167% * 0.0153% (0.21 1.00 0.02 1.08) = 0.015% Peak 44 (2.19, 0.58, 22.45 ppm): 11 chemical-shift based assignments, quality = 0.226, support = 2.73, residual support = 8.65: * T HB VAL 99 - QD1 LEU 23 9.091% * 58.8683% (0.25 10.00 3.69 13.87) = 58.868% kept T HG2 GLN 102 - QD1 LEU 23 9.091% * 31.8897% (0.20 10.00 1.33 0.99) = 31.890% kept HB2 ASP- 82 - QD1 LEU 23 9.091% * 5.6836% (0.21 1.00 2.27 2.84) = 5.684% kept T HG3 MET 126 - QD1 LEU 23 9.091% * 1.6677% (0.05 10.00 0.28 0.02) = 1.668% kept HB3 PRO 104 - QD1 LEU 23 9.091% * 1.0620% (0.24 1.00 0.37 0.02) = 1.062% kept T HG2 MET 126 - QD1 LEU 23 9.091% * 0.4809% (0.20 10.00 0.02 0.02) = 0.481% HG2 PRO 104 - QD1 LEU 23 9.091% * 0.1820% (0.09 1.00 0.18 0.02) = 0.182% T HG3 MET 97 - QD1 LEU 23 9.091% * 0.0813% (0.03 10.00 0.02 0.02) = 0.081% HG2 PRO 112 - QD1 LEU 23 9.091% * 0.0591% (0.25 1.00 0.02 0.02) = 0.059% HB3 GLU- 75 - QD1 LEU 23 9.091% * 0.0172% (0.07 1.00 0.02 0.02) = 0.017% HA1 GLY 58 - QD1 LEU 23 9.091% * 0.0081% (0.03 1.00 0.02 0.02) = 0.008% Peak 45 (2.15, 0.11, 22.44 ppm): 10 chemical-shift based assignments, quality = 0.927, support = 3.38, residual support = 70.2: * O T HB VAL 47 - QG2 VAL 47 10.000% * 88.0507% (0.98 10.0 10.00 3.78 79.67) = 88.051% kept T HB3 GLU- 75 - QG2 VAL 47 10.000% * 9.0720% (0.61 1.0 10.00 0.33 0.02) = 9.072% kept HG2 GLU- 45 - QG2 VAL 47 10.000% * 1.7009% (0.30 1.0 1.00 1.25 0.19) = 1.701% kept HG2 PRO 112 - QG2 VAL 47 10.000% * 0.9187% (0.93 1.0 1.00 0.22 0.02) = 0.919% HB3 LYS+ 78 - QG2 VAL 47 10.000% * 0.0865% (0.97 1.0 1.00 0.02 0.02) = 0.086% HG2 PRO 104 - QG2 VAL 47 10.000% * 0.0606% (0.68 1.0 1.00 0.02 0.02) = 0.061% HB2 ASP- 28 - QG2 VAL 47 10.000% * 0.0535% (0.60 1.0 1.00 0.02 0.02) = 0.054% HG2 GLN 102 - QG2 VAL 47 10.000% * 0.0220% (0.25 1.0 1.00 0.02 0.02) = 0.022% HB2 ASP- 82 - QG2 VAL 47 10.000% * 0.0196% (0.22 1.0 1.00 0.02 1.19) = 0.020% HB VAL 105 - QG2 VAL 47 10.000% * 0.0155% (0.17 1.0 1.00 0.02 0.02) = 0.015% Peak 46 (1.92, 0.58, 22.44 ppm): 13 chemical-shift based assignments, quality = 0.24, support = 3.48, residual support = 67.7: * O T HB2 LEU 23 - QD1 LEU 23 7.692% * 50.4430% (0.24 10.0 10.00 5.12 120.22) = 50.443% kept T HB ILE 29 - QD1 LEU 23 7.692% * 48.5211% (0.25 1.0 10.00 1.86 14.54) = 48.521% kept HB3 GLN 102 - QD1 LEU 23 7.692% * 0.7791% (0.14 1.0 1.00 0.53 0.99) = 0.779% HB2 PRO 116 - QD1 LEU 23 7.692% * 0.0419% (0.20 1.0 1.00 0.02 0.02) = 0.042% HB2 GLU- 10 - QD1 LEU 23 7.692% * 0.0419% (0.20 1.0 1.00 0.02 0.02) = 0.042% HD3 LYS+ 63 - QD1 LEU 23 7.692% * 0.0399% (0.19 1.0 1.00 0.02 0.02) = 0.040% HB2 PRO 112 - QD1 LEU 23 7.692% * 0.0334% (0.16 1.0 1.00 0.02 0.02) = 0.033% HB2 GLU- 75 - QD1 LEU 23 7.692% * 0.0254% (0.12 1.0 1.00 0.02 0.02) = 0.025% HG2 PRO 112 - QD1 LEU 23 7.692% * 0.0172% (0.08 1.0 1.00 0.02 0.02) = 0.017% HB3 LYS+ 55 - QD1 LEU 23 7.692% * 0.0161% (0.08 1.0 1.00 0.02 0.02) = 0.016% HB3 ARG+ 53 - QD1 LEU 23 7.692% * 0.0161% (0.08 1.0 1.00 0.02 0.20) = 0.016% HG3 PRO 31 - QD1 LEU 23 7.692% * 0.0145% (0.07 1.0 1.00 0.02 0.02) = 0.015% HB3 CYS 123 - QD1 LEU 23 7.692% * 0.0103% (0.05 1.0 1.00 0.02 0.02) = 0.010% Peak 47 (1.86, -0.03, 22.32 ppm): 11 chemical-shift based assignments, quality = 0.739, support = 0.872, residual support = 0.894: HD2 PRO 59 - QD1 LEU 74 9.091% * 31.3444% (0.98 1.25 1.54) = 31.344% kept HB3 LYS+ 60 - QD1 LEU 74 9.091% * 13.8905% (0.89 0.61 1.30) = 13.891% kept HB2 LYS+ 66 - QD1 LEU 74 9.091% * 12.5532% (0.56 0.88 0.16) = 12.553% kept * HB3 LYS+ 72 - QD1 LEU 74 9.091% * 12.5141% (0.92 0.54 0.38) = 12.514% kept HD3 PRO 52 - QD1 LEU 74 9.091% * 10.3889% (0.56 0.73 0.48) = 10.389% kept HB3 ARG+ 84 - QD1 LEU 74 9.091% * 6.5128% (0.60 0.43 0.02) = 6.513% kept HB2 PRO 59 - QD1 LEU 74 9.091% * 5.6295% (0.25 0.89 1.54) = 5.629% kept HG2 PRO 112 - QD1 LEU 74 9.091% * 5.4858% (0.19 1.16 0.48) = 5.486% kept HG3 LYS+ 120 - QD1 LEU 74 9.091% * 0.6985% (0.34 0.08 0.02) = 0.699% HB VAL 94 - QD1 LEU 74 9.091% * 0.5042% (0.99 0.02 0.02) = 0.504% HB2 PRO 104 - QD1 LEU 74 9.091% * 0.4780% (0.94 0.02 0.02) = 0.478% Peak 51 (1.68, -0.03, 22.32 ppm): 9 chemical-shift based assignments, quality = 0.69, support = 0.735, residual support = 0.382: HG2 PRO 52 - QD1 LEU 74 11.111% * 28.3698% (0.76 0.85 0.48) = 28.370% kept HB3 LYS+ 66 - QD1 LEU 74 11.111% * 26.4870% (0.56 1.08 0.16) = 26.487% kept HB3 LYS+ 81 - QD1 LEU 74 11.111% * 22.1225% (0.92 0.55 0.30) = 22.122% kept HB3 MET 97 - QD1 LEU 74 11.111% * 13.2472% (0.72 0.42 1.03) = 13.247% kept HG3 ARG+ 84 - QD1 LEU 74 11.111% * 6.9321% (0.37 0.43 0.02) = 6.932% kept HD3 LYS+ 55 - QD1 LEU 74 11.111% * 0.8388% (0.96 0.02 0.02) = 0.839% HG13 ILE 19 - QD1 LEU 74 11.111% * 0.7795% (0.89 0.02 0.02) = 0.779% HB3 MET 126 - QD1 LEU 74 11.111% * 0.6960% (0.80 0.02 0.02) = 0.696% HB ILE 100 - QD1 LEU 74 11.111% * 0.5272% (0.60 0.02 0.02) = 0.527% Peak 52 (1.63, 0.58, 22.44 ppm): 10 chemical-shift based assignments, quality = 0.235, support = 2.87, residual support = 74.1: * O HG LEU 23 - QD1 LEU 23 10.000% * 59.7135% (0.24 10.0 1.00 3.85 120.22) = 59.714% kept T HG12 ILE 101 - QD1 LEU 23 10.000% * 32.8223% (0.25 1.0 10.00 1.09 0.51) = 32.822% kept HG2 ARG+ 22 - QD1 LEU 23 10.000% * 5.3652% (0.12 1.0 1.00 3.66 40.43) = 5.365% kept HB3 PRO 52 - QD1 LEU 23 10.000% * 1.3512% (0.09 1.0 1.00 1.20 1.63) = 1.351% kept HB VAL 122 - QD1 LEU 23 10.000% * 0.5285% (0.25 1.0 1.00 0.18 0.02) = 0.529% HB ILE 68 - QD1 LEU 23 10.000% * 0.0601% (0.25 1.0 1.00 0.02 0.02) = 0.060% HG LEU 43 - QD1 LEU 23 10.000% * 0.0601% (0.25 1.0 1.00 0.02 0.02) = 0.060% HG3 LYS+ 78 - QD1 LEU 23 10.000% * 0.0523% (0.21 1.0 1.00 0.02 0.02) = 0.052% HG2 LYS+ 110 - QD1 LEU 23 10.000% * 0.0317% (0.13 1.0 1.00 0.02 0.02) = 0.032% HD3 LYS+ 32 - QD1 LEU 23 10.000% * 0.0150% (0.06 1.0 1.00 0.02 0.02) = 0.015% Peak 53 (1.59, 1.02, 22.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 55 (1.55, 1.54, 22.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: QG2 THR 24 - QG2 THR 24 Peak unassigned. Peak 57 (1.48, -0.03, 22.35 ppm): 10 chemical-shift based assignments, quality = 0.651, support = 2.15, residual support = 6.37: HB3 LEU 67 - QD1 LEU 74 10.000% * 35.0956% (0.60 3.72 17.19) = 35.096% kept QB ALA 70 - QD1 LEU 74 10.000% * 22.8589% (1.00 1.47 0.33) = 22.859% kept HG3 PRO 52 - QD1 LEU 74 10.000% * 12.9962% (0.52 1.59 0.48) = 12.996% kept HB3 LYS+ 44 - QD1 LEU 74 10.000% * 10.1826% (1.00 0.66 0.61) = 10.183% kept HB2 LYS+ 72 - QD1 LEU 74 10.000% * 6.1681% (0.31 1.29 0.38) = 6.168% kept HG3 LYS+ 72 - QD1 LEU 74 10.000% * 4.4904% (0.22 1.30 0.38) = 4.490% kept HG3 LYS+ 60 - QD1 LEU 74 10.000% * 4.2670% (0.17 1.57 1.30) = 4.267% kept HG2 PRO 59 - QD1 LEU 74 10.000% * 2.7184% (0.17 1.00 1.54) = 2.718% kept HD3 LYS+ 108 - QD1 LEU 74 10.000% * 0.6725% (0.41 0.11 0.02) = 0.673% HG13 ILE 48 - QD1 LEU 74 10.000% * 0.5502% (0.31 0.11 0.02) = 0.550% Peak 59 (1.38, 1.38, 22.39 ppm): 2 diagonal assignments: * QG2 THR 39 - QG2 THR 39 (0.99) kept HG2 LYS+ 78 - HG2 LYS+ 78 (0.14) kept Peak 60 (1.39, 1.10, 22.36 ppm): 10 chemical-shift based assignments, quality = 0.356, support = 3.47, residual support = 14.4: QG2 THR 39 - QG2 THR 79 10.000% * 66.0490% (0.38 4.73 16.04) = 66.049% kept * HG2 LYS+ 78 - QG2 THR 79 10.000% * 15.8022% (0.27 1.56 22.64) = 15.802% kept HD3 LYS+ 20 - QG2 THR 79 10.000% * 10.0098% (0.50 0.54 1.30) = 10.010% kept HB3 LYS+ 20 - QG2 THR 79 10.000% * 4.2819% (0.12 1.00 1.30) = 4.282% kept HG LEU 67 - QG2 THR 79 10.000% * 2.7157% (0.34 0.22 0.02) = 2.716% kept HG13 ILE 68 - QG2 THR 79 10.000% * 0.3449% (0.47 0.02 0.02) = 0.345% QB ALA 93 - QG2 THR 79 10.000% * 0.2641% (0.36 0.02 0.02) = 0.264% HG13 ILE 100 - QG2 THR 79 10.000% * 0.2641% (0.36 0.02 0.02) = 0.264% QB ALA 37 - QG2 THR 79 10.000% * 0.1724% (0.23 0.02 0.02) = 0.172% QB ALA 11 - QG2 THR 79 10.000% * 0.0959% (0.13 0.02 0.02) = 0.096% Peak 61 (1.38, 1.01, 22.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 64 (1.10, 1.38, 22.37 ppm): 6 chemical-shift based assignments, quality = 0.888, support = 4.32, residual support = 16.6: T QG2 THR 79 - QG2 THR 39 16.667% * 87.5542% (0.99 10.00 4.73 16.04) = 87.554% kept * T QG2 THR 79 - HG2 LYS+ 78 16.667% * 11.2089% (0.16 10.00 1.56 22.64) = 11.209% kept QG2 THR 95 - QG2 THR 39 16.667% * 1.1843% (0.45 1.00 0.60 0.17) = 1.184% kept QG2 THR 61 - QG2 THR 39 16.667% * 0.0396% (0.45 1.00 0.02 0.02) = 0.040% QG2 THR 95 - HG2 LYS+ 78 16.667% * 0.0065% (0.07 1.00 0.02 0.02) = 0.006% QG2 THR 61 - HG2 LYS+ 78 16.667% * 0.0065% (0.07 1.00 0.02 0.02) = 0.006% Peak 66 (0.95, 0.59, 22.39 ppm): 10 chemical-shift based assignments, quality = 0.128, support = 1.54, residual support = 11.1: QG2 ILE 29 - QD1 LEU 23 10.000% * 39.4009% (0.15 1.67 14.54) = 39.401% kept * QG2 VAL 99 - QD1 LEU 23 10.000% * 38.4473% (0.13 1.94 13.87) = 38.447% kept QG2 VAL 105 - QD1 LEU 23 10.000% * 11.7208% (0.09 0.87 0.12) = 11.721% kept QG1 VAL 105 - QD1 LEU 23 10.000% * 7.0976% (0.10 0.46 0.12) = 7.098% kept QG2 VAL 62 - QD1 LEU 23 10.000% * 1.7905% (0.14 0.08 0.02) = 1.791% kept HG12 ILE 68 - QD1 LEU 23 10.000% * 0.5856% (0.05 0.08 0.02) = 0.586% QG2 VAL 73 - QD1 LEU 23 10.000% * 0.4692% (0.15 0.02 0.02) = 0.469% QD1 LEU 17 - QD1 LEU 23 10.000% * 0.2871% (0.09 0.02 0.13) = 0.287% HG3 LYS+ 110 - QD1 LEU 23 10.000% * 0.1180% (0.04 0.02 0.02) = 0.118% QG2 VAL 80 - QD1 LEU 23 10.000% * 0.0829% (0.03 0.02 0.02) = 0.083% Peak 67 (0.92, 3.87, 63.78 ppm): 26 chemical-shift based assignments, quality = 0.494, support = 0.328, residual support = 0.0375: QG1 VAL 47 - HB2 SER 85 3.846% * 21.3888% (0.52 0.55 0.02) = 21.389% kept * QG2 VAL 87 - HB2 SER 85 3.846% * 17.8193% (0.45 0.53 0.12) = 17.819% kept QG1 VAL 47 - HB3 SER 27 3.846% * 16.3499% (0.58 0.38 0.02) = 16.350% kept QD1 LEU 17 - HB2 SER 85 3.846% * 9.8952% (0.42 0.32 0.02) = 9.895% kept HG12 ILE 68 - HB2 SER 85 3.846% * 5.6582% (0.69 0.11 0.02) = 5.658% kept QG2 VAL 40 - HB2 SER 85 3.846% * 4.6695% (0.45 0.14 0.02) = 4.670% kept QG2 VAL 105 - HB3 SER 27 3.846% * 3.1996% (0.50 0.08 0.02) = 3.200% kept QG1 VAL 105 - HB3 SER 27 3.846% * 2.7266% (0.43 0.08 0.02) = 2.727% kept QG2 VAL 105 - HB2 SER 85 3.846% * 2.6903% (0.45 0.08 0.02) = 2.690% kept QG1 VAL 105 - HB2 SER 85 3.846% * 2.2926% (0.38 0.08 0.02) = 2.293% kept QG2 VAL 80 - HB3 SER 27 3.846% * 1.3569% (0.91 0.02 0.02) = 1.357% kept HG3 LYS+ 110 - HB3 SER 27 3.846% * 1.2443% (0.83 0.02 0.02) = 1.244% kept QG2 VAL 80 - HB2 SER 85 3.846% * 1.2141% (0.81 0.02 0.02) = 1.214% kept HG12 ILE 68 - HB3 SER 27 3.846% * 1.1486% (0.77 0.02 0.02) = 1.149% kept HG3 LYS+ 110 - HB2 SER 85 3.846% * 1.1133% (0.74 0.02 0.02) = 1.113% kept HG3 LYS+ 117 - HB3 SER 27 3.846% * 1.0963% (0.73 0.02 0.02) = 1.096% kept QD1 LEU 67 - HB3 SER 27 3.846% * 0.9853% (0.66 0.02 0.02) = 0.985% HG3 LYS+ 117 - HB2 SER 85 3.846% * 0.9808% (0.66 0.02 0.02) = 0.981% QD1 LEU 67 - HB2 SER 85 3.846% * 0.8816% (0.59 0.02 0.02) = 0.882% QG2 VAL 40 - HB3 SER 27 3.846% * 0.7547% (0.50 0.02 0.02) = 0.755% QG2 VAL 87 - HB3 SER 27 3.846% * 0.7547% (0.50 0.02 0.02) = 0.755% QD1 LEU 17 - HB3 SER 27 3.846% * 0.6982% (0.47 0.02 0.14) = 0.698% QG1 VAL 80 - HB3 SER 27 3.846% * 0.3194% (0.21 0.02 0.02) = 0.319% QG1 VAL 80 - HB2 SER 85 3.846% * 0.2857% (0.19 0.02 0.02) = 0.286% QG2 VAL 62 - HB3 SER 27 3.846% * 0.2512% (0.17 0.02 0.02) = 0.251% QG2 VAL 62 - HB2 SER 85 3.846% * 0.2248% (0.15 0.02 0.02) = 0.225% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 69 (0.91, 0.11, 22.43 ppm): 13 chemical-shift based assignments, quality = 0.865, support = 3.58, residual support = 76.1: * O QG1 VAL 47 - QG2 VAL 47 7.692% * 95.4789% (0.88 10.0 3.73 79.67) = 95.479% kept QD1 LEU 67 - QG2 VAL 47 7.692% * 2.2962% (0.93 1.0 0.46 0.46) = 2.296% kept QG1 VAL 80 - QG2 VAL 47 7.692% * 1.0238% (0.48 1.0 0.40 0.02) = 1.024% kept HG12 ILE 68 - QG2 VAL 47 7.692% * 0.6145% (0.48 1.0 0.24 0.02) = 0.615% HG3 LYS+ 117 - QG2 VAL 47 7.692% * 0.1044% (0.96 1.0 0.02 0.02) = 0.104% QG2 VAL 125 - QG2 VAL 47 7.692% * 0.0997% (0.19 1.0 0.09 0.02) = 0.100% QG2 VAL 87 - QG2 VAL 47 7.692% * 0.0889% (0.82 1.0 0.02 0.02) = 0.089% QG2 VAL 40 - QG2 VAL 47 7.692% * 0.0889% (0.82 1.0 0.02 0.02) = 0.089% QG2 VAL 80 - QG2 VAL 47 7.692% * 0.0731% (0.67 1.0 0.02 0.02) = 0.073% HG3 LYS+ 110 - QG2 VAL 47 7.692% * 0.0603% (0.55 1.0 0.02 0.02) = 0.060% QG2 VAL 105 - QG2 VAL 47 7.692% * 0.0265% (0.24 1.0 0.02 0.02) = 0.027% QD1 LEU 17 - QG2 VAL 47 7.692% * 0.0237% (0.22 1.0 0.02 0.02) = 0.024% QG1 VAL 105 - QG2 VAL 47 7.692% * 0.0211% (0.19 1.0 0.02 0.02) = 0.021% Peak 74 (0.75, 0.11, 22.44 ppm): 6 chemical-shift based assignments, quality = 0.486, support = 3.06, residual support = 25.9: QG2 ILE 48 - QG2 VAL 47 16.667% * 49.1268% (0.39 4.19 34.45) = 49.127% kept * HG3 LYS+ 44 - QG2 VAL 47 16.667% * 42.0611% (0.60 2.33 21.28) = 42.061% kept HG3 LYS+ 66 - QG2 VAL 47 16.667% * 5.8764% (0.60 0.33 0.02) = 5.876% kept QD1 ILE 68 - QG2 VAL 47 16.667% * 1.9639% (0.28 0.24 0.02) = 1.964% kept QG2 VAL 65 - QG2 VAL 47 16.667% * 0.8233% (0.34 0.08 0.02) = 0.823% QG1 VAL 40 - QG2 VAL 47 16.667% * 0.1485% (0.25 0.02 0.02) = 0.149% Peak 75 (0.73, -0.03, 22.35 ppm): 10 chemical-shift based assignments, quality = 0.829, support = 4.4, residual support = 110.3: * O HG LEU 74 - QD1 LEU 74 10.000% * 68.4432% (0.80 10.0 5.46 159.05) = 68.443% kept QG1 VAL 40 - QD1 LEU 74 10.000% * 11.3544% (0.99 1.0 2.66 11.48) = 11.354% kept QD1 ILE 68 - QD1 LEU 74 10.000% * 10.8921% (0.98 1.0 2.57 1.08) = 10.892% kept HG3 LYS+ 66 - QD1 LEU 74 10.000% * 4.2380% (0.76 1.0 1.30 0.16) = 4.238% kept HG3 LYS+ 44 - QD1 LEU 74 10.000% * 2.7697% (0.76 1.0 0.85 0.61) = 2.770% kept QG2 VAL 65 - QD1 LEU 74 10.000% * 1.1831% (0.96 1.0 0.29 0.02) = 1.183% kept QG2 ILE 101 - QD1 LEU 74 10.000% * 0.8186% (0.57 1.0 0.34 0.02) = 0.819% QG2 ILE 48 - QD1 LEU 74 10.000% * 0.2595% (0.68 1.0 0.09 0.02) = 0.260% QG2 THR 96 - QD1 LEU 74 10.000% * 0.0264% (0.31 1.0 0.02 0.02) = 0.026% QG1 VAL 65 - QD1 LEU 74 10.000% * 0.0150% (0.17 1.0 0.02 0.02) = 0.015% Peak 77 (0.59, 0.58, 22.43 ppm): 1 diagonal assignment: * QD1 LEU 23 - QD1 LEU 23 (0.23) kept Peak 78 (0.58, 0.99, 22.41 ppm): 4 chemical-shift based assignments, quality = 0.0478, support = 1.93, residual support = 13.7: * T QD1 LEU 23 - QG2 VAL 99 25.000% * 98.7202% (0.05 10.00 1.94 13.87) = 98.720% kept QD1 ILE 101 - QG2 VAL 99 25.000% * 1.1601% (0.01 1.00 1.13 2.72) = 1.160% kept QG2 VAL 122 - QG2 VAL 99 25.000% * 0.1033% (0.05 1.00 0.02 0.02) = 0.103% QG2 ILE 48 - QG2 VAL 99 25.000% * 0.0163% (0.01 1.00 0.02 0.20) = 0.016% Peak 79 (0.46, -0.03, 22.34 ppm): 2 chemical-shift based assignments, quality = 0.971, support = 5.48, residual support = 157.4: * O QD2 LEU 74 - QD1 LEU 74 50.000% * 98.9409% (0.98 10.0 5.54 159.05) = 98.941% kept QD2 LEU 43 - QD1 LEU 74 50.000% * 1.0591% (0.60 1.0 0.35 1.31) = 1.059% kept Peak 80 (0.43, 0.59, 22.44 ppm): 2 chemical-shift based assignments, quality = 0.0326, support = 0.02, residual support = 0.327: QD1 ILE 48 - QD1 LEU 23 50.000% * 50.0000% (0.03 0.02 0.33) = 50.000% kept HG12 ILE 48 - QD1 LEU 23 50.000% * 50.0000% (0.03 0.02 0.33) = 50.000% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 82 (0.29, 0.59, 22.44 ppm): 2 chemical-shift based assignments, quality = 0.24, support = 4.07, residual support = 109.0: * O T QD2 LEU 23 - QD1 LEU 23 50.000% * 90.6868% (0.24 10.0 10.00 4.46 120.22) = 90.687% kept T QG1 VAL 122 - QD1 LEU 23 50.000% * 9.3132% (0.24 1.0 10.00 0.20 0.02) = 9.313% kept Peak 86 (0.12, 0.99, 22.38 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 87 (0.11, 0.11, 22.44 ppm): 1 diagonal assignment: * QG2 VAL 47 - QG2 VAL 47 (0.92) kept Peak 88 (-0.03, -0.03, 22.35 ppm): 1 diagonal assignment: * QD1 LEU 74 - QD1 LEU 74 (1.00) kept Peak 90 (-0.30, -0.02, 22.27 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 91 (-0.43, -0.02, 22.23 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 92 (8.77, 0.96, 22.09 ppm): 8 chemical-shift based assignments, quality = 0.15, support = 3.67, residual support = 24.3: * HN VAL 62 - QG2 VAL 62 12.500% * 73.8226% (0.16 4.64 32.46) = 73.823% kept HN SER 69 - QG2 VAL 73 12.500% * 15.5580% (0.11 1.39 1.90) = 15.558% kept HN PHE 34 - QG2 VAL 62 12.500% * 5.4179% (0.19 0.28 0.02) = 5.418% kept HN THR 95 - QG2 VAL 73 12.500% * 3.9364% (0.16 0.25 0.02) = 3.936% kept HN PHE 34 - QG2 VAL 73 12.500% * 0.4250% (0.21 0.02 0.02) = 0.425% HN VAL 62 - QG2 VAL 73 12.500% * 0.3518% (0.17 0.02 0.02) = 0.352% HN THR 95 - QG2 VAL 62 12.500% * 0.2858% (0.14 0.02 0.02) = 0.286% HN SER 69 - QG2 VAL 62 12.500% * 0.2025% (0.10 0.02 0.02) = 0.203% Peak 93 (8.60, 1.10, 22.30 ppm): 5 chemical-shift based assignments, quality = 0.412, support = 2.25, residual support = 11.6: * HN VAL 80 - QG2 THR 79 20.000% * 48.9634% (0.30 3.53 16.14) = 48.963% kept HN LYS+ 20 - QG2 THR 79 20.000% * 27.6267% (0.71 0.83 1.30) = 27.627% kept HN THR 39 - QG2 THR 79 20.000% * 20.7493% (0.32 1.37 16.04) = 20.749% kept HN VAL 73 - QG2 THR 79 20.000% * 2.5423% (0.20 0.27 0.02) = 2.542% kept HN SER 85 - QG2 THR 79 20.000% * 0.1183% (0.13 0.02 0.02) = 0.118% Peak 94 (8.59, 0.95, 22.22 ppm): 8 chemical-shift based assignments, quality = 0.484, support = 2.22, residual support = 11.1: * HN VAL 73 - QG2 VAL 73 12.500% * 43.1222% (0.44 3.79 25.01) = 43.122% kept HN VAL 80 - QG2 VAL 62 12.500% * 17.0243% (0.53 1.24 0.90) = 17.024% kept HN VAL 80 - QG2 VAL 73 12.500% * 16.4561% (0.53 1.19 0.58) = 16.456% kept HN LYS+ 20 - QG2 VAL 62 12.500% * 14.2327% (0.55 1.00 0.66) = 14.233% kept HN VAL 73 - QG2 VAL 62 12.500% * 5.4956% (0.43 0.49 0.02) = 5.496% kept HN THR 39 - QG2 VAL 62 12.500% * 3.0938% (0.55 0.22 0.02) = 3.094% kept HN THR 39 - QG2 VAL 73 12.500% * 0.2876% (0.55 0.02 0.18) = 0.288% HN LYS+ 20 - QG2 VAL 73 12.500% * 0.2876% (0.55 0.02 0.02) = 0.288% Peak 95 (8.45, 4.27, 63.48 ppm): 14 chemical-shift based assignments, quality = 0.348, support = 0.954, residual support = 1.14: * O HN CYS 123 - HA VAL 122 7.143% * 93.7632% (0.35 10.0 1.00 1.21) = 93.763% kept HN ARG+ 53 - HA VAL 122 7.143% * 4.0686% (0.39 1.0 0.40 0.02) = 4.069% kept HN GLY 92 - HB3 SER 49 7.143% * 0.7707% (0.04 1.0 0.69 0.19) = 0.771% HN LEU 74 - HA VAL 122 7.143% * 0.4952% (0.94 1.0 0.02 0.02) = 0.495% HN GLU- 107 - HA VAL 122 7.143% * 0.3628% (0.69 1.0 0.02 0.02) = 0.363% HN GLY 92 - HA VAL 122 7.143% * 0.2432% (0.46 1.0 0.02 0.02) = 0.243% HN LYS+ 113 - HA VAL 122 7.143% * 0.0989% (0.19 1.0 0.02 0.02) = 0.099% HN GLU- 18 - HA VAL 122 7.143% * 0.0676% (0.13 1.0 0.02 0.02) = 0.068% HN LEU 74 - HB3 SER 49 7.143% * 0.0453% (0.09 1.0 0.02 0.71) = 0.045% HN GLU- 107 - HB3 SER 49 7.143% * 0.0332% (0.06 1.0 0.02 0.02) = 0.033% HN ARG+ 53 - HB3 SER 49 7.143% * 0.0188% (0.04 1.0 0.02 0.02) = 0.019% HN CYS 123 - HB3 SER 49 7.143% * 0.0172% (0.03 1.0 0.02 0.02) = 0.017% HN LYS+ 113 - HB3 SER 49 7.143% * 0.0090% (0.02 1.0 0.02 0.02) = 0.009% HN GLU- 18 - HB3 SER 49 7.143% * 0.0062% (0.01 1.0 0.02 0.02) = 0.006% Peak 96 (8.48, 0.93, 22.17 ppm): 18 chemical-shift based assignments, quality = 0.183, support = 1.16, residual support = 2.41: * HN LEU 74 - QG2 VAL 73 5.556% * 22.6755% (0.04 3.77 10.37) = 22.675% kept HN LYS+ 113 - QG2 VAL 73 5.556% * 19.0296% (0.26 0.49 0.02) = 19.030% kept HN GLU- 107 - QG2 VAL 73 5.556% * 14.2734% (0.16 0.60 0.12) = 14.273% kept HN LEU 74 - QG1 VAL 47 5.556% * 9.3389% (0.07 0.86 0.36) = 9.339% kept HN GLY 92 - QG2 VAL 73 5.556% * 8.9474% (0.22 0.27 0.02) = 8.947% kept HN LYS+ 113 - QG2 VAL 62 5.556% * 8.3541% (0.30 0.18 0.02) = 8.354% kept HN LYS+ 113 - QG1 VAL 47 5.556% * 7.5172% (0.47 0.11 0.02) = 7.517% kept HN GLU- 18 - QG1 VAL 47 5.556% * 1.3863% (0.46 0.02 0.02) = 1.386% kept HN GLU- 10 - QG1 VAL 47 5.556% * 1.2268% (0.41 0.02 0.02) = 1.227% kept HN GLY 92 - QG1 VAL 47 5.556% * 1.1813% (0.39 0.02 0.02) = 1.181% kept HN GLU- 18 - QG2 VAL 62 5.556% * 0.8920% (0.29 0.02 0.02) = 0.892% HN GLU- 107 - QG1 VAL 47 5.556% * 0.8578% (0.28 0.02 0.02) = 0.858% HN GLU- 10 - QG2 VAL 62 5.556% * 0.7893% (0.26 0.02 0.02) = 0.789% HN LEU 74 - QG2 VAL 62 5.556% * 0.7769% (0.05 0.11 0.02) = 0.777% HN GLU- 18 - QG2 VAL 73 5.556% * 0.7648% (0.25 0.02 0.02) = 0.765% HN GLY 92 - QG2 VAL 62 5.556% * 0.7601% (0.25 0.02 0.02) = 0.760% HN GLU- 10 - QG2 VAL 73 5.556% * 0.6768% (0.22 0.02 0.02) = 0.677% HN GLU- 107 - QG2 VAL 62 5.556% * 0.5519% (0.18 0.02 0.02) = 0.552% Not enough quality. Peak unassigned. Peak 97 (8.26, 4.06, 63.54 ppm): 32 chemical-shift based assignments, quality = 0.128, support = 3.22, residual support = 11.2: O HN SER 49 - HB2 SER 49 3.125% * 50.8935% (0.11 10.0 4.29 15.22) = 50.894% kept * O HN SER 49 - HB3 SER 49 3.125% * 22.2896% (0.05 10.0 4.02 15.22) = 22.290% kept HN GLU- 12 - HB2 SER 49 3.125% * 4.3744% (0.26 1.0 0.74 0.02) = 4.374% kept HN THR 106 - HB2 SER 49 3.125% * 3.7071% (0.40 1.0 0.41 0.45) = 3.707% kept HN THR 106 - HB3 SER 49 3.125% * 2.8228% (0.17 1.0 0.71 0.45) = 2.823% kept HN ASP- 115 - HB2 SER 49 3.125% * 2.7866% (0.40 1.0 0.30 0.02) = 2.787% kept HN LEU 67 - HB3 SER 49 3.125% * 2.3666% (0.09 1.0 1.12 0.02) = 2.367% kept HN GLY 58 - HB2 SER 49 3.125% * 2.0906% (0.17 1.0 0.56 0.02) = 2.091% kept HN GLU- 12 - HB3 SER 49 3.125% * 1.9015% (0.11 1.0 0.73 0.02) = 1.902% kept HN LEU 67 - HB2 SER 49 3.125% * 1.7730% (0.21 1.0 0.37 0.02) = 1.773% kept HN ASP- 115 - HB3 SER 85 3.125% * 1.4772% (0.22 1.0 0.30 0.02) = 1.477% kept HN LYS+ 81 - HB2 SER 49 3.125% * 1.2034% (0.21 1.0 0.25 0.02) = 1.203% kept HN ASP- 115 - HB3 SER 49 3.125% * 0.9348% (0.18 1.0 0.23 0.02) = 0.935% HN ASP- 115 - HA VAL 125 3.125% * 0.1753% (0.39 1.0 0.02 0.02) = 0.175% HN THR 106 - HA VAL 125 3.125% * 0.1738% (0.38 1.0 0.02 0.02) = 0.174% HN GLU- 12 - HA VAL 125 3.125% * 0.1134% (0.25 1.0 0.02 0.02) = 0.113% HN THR 106 - HB3 SER 85 3.125% * 0.0981% (0.22 1.0 0.02 0.02) = 0.098% HN LYS+ 81 - HA VAL 125 3.125% * 0.0922% (0.20 1.0 0.02 0.02) = 0.092% HN LEU 67 - HA VAL 125 3.125% * 0.0922% (0.20 1.0 0.02 0.02) = 0.092% HN GLY 58 - HA VAL 125 3.125% * 0.0721% (0.16 1.0 0.02 0.02) = 0.072% HN ASN 89 - HB2 SER 49 3.125% * 0.0687% (0.15 1.0 0.02 0.02) = 0.069% HN ASN 89 - HA VAL 125 3.125% * 0.0658% (0.14 1.0 0.02 0.02) = 0.066% HN GLU- 12 - HB3 SER 85 3.125% * 0.0640% (0.14 1.0 0.02 0.02) = 0.064% HN LEU 67 - HB3 SER 85 3.125% * 0.0521% (0.11 1.0 0.02 0.02) = 0.052% HN LYS+ 81 - HB3 SER 85 3.125% * 0.0521% (0.11 1.0 0.02 0.02) = 0.052% HN SER 49 - HA VAL 125 3.125% * 0.0487% (0.11 1.0 0.02 0.02) = 0.049% HN LYS+ 81 - HB3 SER 49 3.125% * 0.0422% (0.09 1.0 0.02 0.02) = 0.042% HN GLY 58 - HB3 SER 85 3.125% * 0.0407% (0.09 1.0 0.02 0.02) = 0.041% HN ASN 89 - HB3 SER 85 3.125% * 0.0371% (0.08 1.0 0.02 0.02) = 0.037% HN GLY 58 - HB3 SER 49 3.125% * 0.0330% (0.07 1.0 0.02 0.02) = 0.033% HN ASN 89 - HB3 SER 49 3.125% * 0.0301% (0.07 1.0 0.02 0.02) = 0.030% HN SER 49 - HB3 SER 85 3.125% * 0.0275% (0.06 1.0 0.02 0.02) = 0.028% Peak 98 (8.25, 3.99, 63.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 99 (8.23, 0.96, 22.08 ppm): 22 chemical-shift based assignments, quality = 0.15, support = 1.11, residual support = 0.656: HN LYS+ 81 - QG2 VAL 73 4.545% * 33.8704% (0.18 1.97 1.31) = 33.870% kept HN LYS+ 81 - QG2 VAL 62 4.545% * 13.8504% (0.16 0.89 0.12) = 13.850% kept HN SER 49 - QG2 VAL 73 4.545% * 9.7253% (0.21 0.49 0.02) = 9.725% kept HN GLU- 45 - QG2 VAL 73 4.545% * 9.7154% (0.09 1.19 1.63) = 9.715% kept HN VAL 94 - QG2 VAL 62 4.545% * 8.3791% (0.13 0.68 0.02) = 8.379% kept * HN GLU- 45 - QG2 VAL 62 4.545% * 5.1832% (0.08 0.70 0.50) = 5.183% kept HN SER 49 - QG2 VAL 62 4.545% * 4.6756% (0.19 0.26 0.02) = 4.676% kept HN THR 106 - QG2 VAL 73 4.545% * 4.0231% (0.06 0.66 0.11) = 4.023% kept HN ALA 11 - QG2 VAL 73 4.545% * 3.9829% (0.10 0.41 0.02) = 3.983% kept HN LEU 67 - QG2 VAL 73 4.545% * 3.7549% (0.18 0.22 0.02) = 3.755% kept HN GLY 58 - QG2 VAL 73 4.545% * 0.3756% (0.20 0.02 0.02) = 0.376% HN GLY 58 - QG2 VAL 62 4.545% * 0.3394% (0.18 0.02 0.02) = 0.339% HN LEU 67 - QG2 VAL 62 4.545% * 0.3113% (0.16 0.02 0.02) = 0.311% HN GLU- 12 - QG2 VAL 73 4.545% * 0.3034% (0.16 0.02 0.02) = 0.303% HN GLU- 12 - QG2 VAL 62 4.545% * 0.2742% (0.14 0.02 0.02) = 0.274% HN VAL 94 - QG2 VAL 73 4.545% * 0.2727% (0.14 0.02 0.02) = 0.273% HN VAL 105 - QG2 VAL 73 4.545% * 0.2569% (0.14 0.02 0.02) = 0.257% HN VAL 105 - QG2 VAL 62 4.545% * 0.2321% (0.12 0.02 0.02) = 0.232% HN ALA 11 - QG2 VAL 62 4.545% * 0.1747% (0.09 0.02 0.02) = 0.175% HN THR 106 - QG2 VAL 62 4.545% * 0.1108% (0.06 0.02 0.02) = 0.111% HN ASP- 115 - QG2 VAL 73 4.545% * 0.0990% (0.05 0.02 0.02) = 0.099% HN ASP- 115 - QG2 VAL 62 4.545% * 0.0895% (0.05 0.02 0.02) = 0.089% Not enough quality. Peak unassigned. Peak 100 (7.85, 0.96, 22.06 ppm): 6 chemical-shift based assignments, quality = 0.0643, support = 2.93, residual support = 16.5: * HN LYS+ 63 - QG2 VAL 62 16.667% * 81.9940% (0.06 3.51 20.04) = 81.994% kept HN THR 38 - QG2 VAL 73 16.667% * 15.2731% (0.11 0.34 0.38) = 15.273% kept HN THR 38 - QG2 VAL 62 16.667% * 0.8306% (0.10 0.02 0.02) = 0.831% HD22 ASN 89 - QG2 VAL 73 16.667% * 0.7266% (0.09 0.02 0.02) = 0.727% HD22 ASN 89 - QG2 VAL 62 16.667% * 0.6666% (0.08 0.02 0.02) = 0.667% HN LYS+ 63 - QG2 VAL 73 16.667% * 0.5092% (0.06 0.02 0.02) = 0.509% Peak 101 (7.51, 0.89, 22.14 ppm): 2 chemical-shift based assignments, quality = 0.571, support = 1.36, residual support = 2.76: * HE3 TRP 51 - QG1 VAL 47 50.000% * 64.5765% (0.65 1.44 3.62) = 64.577% kept HN ASP- 82 - QG1 VAL 47 50.000% * 35.4235% (0.42 1.21 1.19) = 35.423% kept Peak 102 (7.33, 0.90, 22.16 ppm): 6 chemical-shift based assignments, quality = 0.797, support = 3.18, residual support = 32.1: * HN VAL 47 - QG1 VAL 47 16.667% * 37.9154% (0.68 5.42 79.67) = 37.915% kept QD PHE 34 - QG1 VAL 47 16.667% * 20.2367% (0.75 2.62 2.97) = 20.237% kept HZ PHE 34 - QG1 VAL 47 16.667% * 15.1740% (0.93 1.59 2.97) = 15.174% kept QE PHE 34 - QG1 VAL 47 16.667% * 15.1048% (0.93 1.58 2.97) = 15.105% kept HZ2 TRP 51 - QG1 VAL 47 16.667% * 10.2289% (0.93 1.07 3.62) = 10.229% kept HN ARG+ 84 - QG1 VAL 47 16.667% * 1.3402% (0.65 0.20 0.02) = 1.340% kept Peak 103 (6.74, 0.89, 22.15 ppm): 2 chemical-shift based assignments, quality = 0.854, support = 1.04, residual support = 3.21: * HZ3 TRP 51 - QG1 VAL 47 50.000% * 88.6293% (0.85 1.16 3.62) = 88.629% kept QE TYR 83 - QG1 VAL 47 50.000% * 11.3707% (0.89 0.14 0.02) = 11.371% kept Peak 106 (4.58, 0.95, 22.15 ppm): 6 chemical-shift based assignments, quality = 0.419, support = 1.99, residual support = 12.5: * HA LYS+ 72 - QG2 VAL 73 16.667% * 83.4088% (0.43 2.33 14.89) = 83.409% kept HA LYS+ 72 - QG2 VAL 62 16.667% * 12.3775% (0.42 0.35 0.41) = 12.377% kept HA LYS+ 78 - QG2 VAL 62 16.667% * 2.8857% (0.31 0.11 0.02) = 2.886% kept HA LYS+ 78 - QG2 VAL 73 16.667% * 0.5207% (0.31 0.02 0.02) = 0.521% HA ASP- 25 - QG2 VAL 73 16.667% * 0.4059% (0.24 0.02 0.02) = 0.406% HA ASP- 25 - QG2 VAL 62 16.667% * 0.4014% (0.24 0.02 0.02) = 0.401% Peak 107 (4.51, 4.09, 63.63 ppm): 21 chemical-shift based assignments, quality = 0.141, support = 0.275, residual support = 0.087: HB THR 46 - HB3 SER 49 4.762% * 33.7662% (0.17 0.38 0.02) = 33.766% kept HA SER 77 - HB3 SER 49 4.762% * 23.7272% (0.11 0.40 0.31) = 23.727% kept HA CYS 123 - HA VAL 125 4.762% * 17.8963% (0.14 0.24 0.02) = 17.896% kept HA ALA 103 - HB3 SER 49 4.762% * 3.7342% (0.04 0.16 0.02) = 3.734% kept HA LYS+ 55 - HA VAL 125 4.762% * 2.6656% (0.25 0.02 0.02) = 2.666% kept HB THR 79 - HA VAL 125 4.762% * 2.3906% (0.22 0.02 0.02) = 2.391% kept HB THR 46 - HA VAL 125 4.762% * 2.3122% (0.22 0.02 0.02) = 2.312% kept HA LYS+ 55 - HB3 SER 49 4.762% * 2.0716% (0.19 0.02 0.02) = 2.072% kept HB THR 79 - HB3 SER 49 4.762% * 1.8578% (0.17 0.02 0.02) = 1.858% kept HA SER 77 - HA VAL 125 4.762% * 1.5091% (0.14 0.02 0.02) = 1.509% kept HA LYS+ 55 - HB2 SER 49 4.762% * 1.3038% (0.12 0.02 0.02) = 1.304% kept HA CYS 123 - HB3 SER 49 4.762% * 1.1728% (0.11 0.02 0.02) = 1.173% kept HB THR 79 - HB2 SER 49 4.762% * 1.1693% (0.11 0.02 0.02) = 1.169% kept HB THR 46 - HB2 SER 49 4.762% * 1.1310% (0.11 0.02 0.02) = 1.131% kept HA CYS 123 - HB2 SER 49 4.762% * 0.7382% (0.07 0.02 0.02) = 0.738% HA SER 77 - HB2 SER 49 4.762% * 0.7382% (0.07 0.02 0.31) = 0.738% HA ALA 103 - HA VAL 125 4.762% * 0.5935% (0.06 0.02 0.02) = 0.593% HA LYS+ 32 - HA VAL 125 4.762% * 0.4113% (0.04 0.02 0.02) = 0.411% HA LYS+ 32 - HB3 SER 49 4.762% * 0.3196% (0.03 0.02 0.02) = 0.320% HA ALA 103 - HB2 SER 49 4.762% * 0.2903% (0.03 0.02 0.02) = 0.290% HA LYS+ 32 - HB2 SER 49 4.762% * 0.2012% (0.02 0.02 0.02) = 0.201% Not enough quality. Peak unassigned. Peak 109 (4.28, 4.28, 63.45 ppm): 1 diagonal assignment: * HA VAL 122 - HA VAL 122 (0.88) kept Peak 110 (4.26, 0.73, 22.10 ppm): 21 chemical-shift based assignments, quality = 0.813, support = 1.36, residual support = 1.16: HA GLU- 75 - QG1 VAL 40 4.762% * 27.7260% (0.98 1.61 0.87) = 27.726% kept HA ASN 76 - QG1 VAL 40 4.762% * 21.9133% (0.78 1.59 2.12) = 21.913% kept HA ASN 119 - QG1 VAL 40 4.762% * 20.7859% (0.82 1.44 1.33) = 20.786% kept HA GLU- 56 - QG1 VAL 40 4.762% * 16.7038% (0.94 1.00 0.53) = 16.704% kept HA PRO 59 - QG1 VAL 40 4.762% * 9.0866% (0.48 1.08 0.92) = 9.087% kept HB3 CYS 121 - QG1 VAL 40 4.762% * 0.9652% (0.30 0.18 0.02) = 0.965% HA GLU- 64 - QG1 VAL 40 4.762% * 0.3445% (0.98 0.02 0.02) = 0.344% HA GLU- 107 - QG1 VAL 40 4.762% * 0.2877% (0.82 0.02 0.02) = 0.288% HA SER 85 - QG1 VAL 40 4.762% * 0.2759% (0.78 0.02 0.02) = 0.276% HA ARG+ 84 - QG1 VAL 40 4.762% * 0.2759% (0.78 0.02 0.02) = 0.276% HA PRO 52 - QG1 VAL 40 4.762% * 0.2759% (0.78 0.02 0.02) = 0.276% HA VAL 94 - QG1 VAL 40 4.762% * 0.2633% (0.75 0.02 0.02) = 0.263% HA ALA 11 - QG1 VAL 40 4.762% * 0.2502% (0.71 0.02 0.02) = 0.250% HA VAL 122 - QG1 VAL 40 4.762% * 0.1950% (0.55 0.02 0.02) = 0.195% HA LEU 90 - QG1 VAL 40 4.762% * 0.1677% (0.48 0.02 0.02) = 0.168% HA LYS+ 108 - QG1 VAL 40 4.762% * 0.0859% (0.24 0.02 0.02) = 0.086% HA GLU- 54 - QG1 VAL 40 4.762% * 0.0859% (0.24 0.02 0.02) = 0.086% HA GLU- 10 - QG1 VAL 40 4.762% * 0.0859% (0.24 0.02 0.02) = 0.086% HB3 SER 49 - QG1 VAL 40 4.762% * 0.0807% (0.23 0.02 0.02) = 0.081% HA THR 106 - QG1 VAL 40 4.762% * 0.0767% (0.22 0.02 0.02) = 0.077% HA CYS 121 - QG1 VAL 40 4.762% * 0.0682% (0.19 0.02 0.02) = 0.068% Peak 112 (4.18, 0.93, 22.12 ppm): 21 chemical-shift based assignments, quality = 0.253, support = 1.69, residual support = 12.3: * O T HA VAL 73 - QG2 VAL 73 4.762% * 49.2050% (0.27 10.0 10.00 2.97 25.01) = 49.205% kept T HB3 SER 49 - QG1 VAL 47 4.762% * 13.1896% (0.23 1.0 10.00 0.64 0.02) = 13.190% kept T HA VAL 73 - QG1 VAL 47 4.762% * 12.2124% (0.26 1.0 10.00 0.53 0.02) = 12.212% kept T HA VAL 73 - QG2 VAL 62 4.762% * 11.9805% (0.30 1.0 10.00 0.45 0.02) = 11.981% kept T HA VAL 105 - QG1 VAL 47 4.762% * 4.9468% (0.13 1.0 10.00 0.41 0.02) = 4.947% kept T HB3 SER 49 - QG2 VAL 62 4.762% * 3.1333% (0.27 1.0 10.00 0.13 0.02) = 3.133% kept T HB3 SER 49 - QG2 VAL 73 4.762% * 2.8922% (0.24 1.0 10.00 0.13 0.02) = 2.892% kept T HA VAL 65 - QG2 VAL 62 4.762% * 0.5364% (0.30 1.0 10.00 0.02 0.02) = 0.536% T HA VAL 65 - QG2 VAL 73 4.762% * 0.4920% (0.27 1.0 10.00 0.02 0.02) = 0.492% T HA VAL 65 - QG1 VAL 47 4.762% * 0.4621% (0.26 1.0 10.00 0.02 0.02) = 0.462% T HA VAL 105 - QG2 VAL 62 4.762% * 0.2828% (0.16 1.0 10.00 0.02 0.02) = 0.283% T HA VAL 105 - QG2 VAL 73 4.762% * 0.2595% (0.14 1.0 10.00 0.02 0.02) = 0.259% T HA VAL 87 - QG2 VAL 62 4.762% * 0.1064% (0.06 1.0 10.00 0.02 0.02) = 0.106% T HA VAL 87 - QG2 VAL 73 4.762% * 0.0976% (0.05 1.0 10.00 0.02 0.02) = 0.098% T HA VAL 87 - QG1 VAL 47 4.762% * 0.0917% (0.05 1.0 10.00 0.02 0.02) = 0.092% HB THR 106 - QG2 VAL 62 4.762% * 0.0283% (0.16 1.0 1.00 0.02 0.02) = 0.028% HB THR 106 - QG2 VAL 73 4.762% * 0.0259% (0.14 1.0 1.00 0.02 0.11) = 0.026% HB THR 106 - QG1 VAL 47 4.762% * 0.0244% (0.13 1.0 1.00 0.02 0.02) = 0.024% HA ASP- 82 - QG2 VAL 62 4.762% * 0.0120% (0.07 1.0 1.00 0.02 0.02) = 0.012% HA ASP- 82 - QG2 VAL 73 4.762% * 0.0110% (0.06 1.0 1.00 0.02 0.02) = 0.011% HA ASP- 82 - QG1 VAL 47 4.762% * 0.0103% (0.06 1.0 1.00 0.02 1.19) = 0.010% Peak 116 (3.85, 0.96, 22.05 ppm): 22 chemical-shift based assignments, quality = 0.0869, support = 0.626, residual support = 0.759: HA GLU- 45 - QG2 VAL 73 4.545% * 39.0104% (0.08 1.00 1.13 1.63) = 39.010% kept * HA GLU- 45 - QG2 VAL 62 4.545% * 23.2211% (0.07 1.00 0.73 0.50) = 23.221% kept T HB2 SER 85 - QG2 VAL 62 4.545% * 10.4255% (0.12 10.00 0.02 0.02) = 10.425% kept T HB3 SER 27 - QG2 VAL 62 4.545% * 6.8500% (0.08 10.00 0.02 0.02) = 6.850% kept HB3 SER 77 - QG2 VAL 73 4.545% * 5.1916% (0.13 1.00 0.10 0.02) = 5.192% kept HB3 SER 77 - QG2 VAL 62 4.545% * 4.9948% (0.11 1.00 0.10 0.02) = 4.995% kept HB3 SER 88 - QG2 VAL 73 4.545% * 1.1855% (0.14 1.00 0.02 0.02) = 1.185% kept HA LYS+ 117 - QG2 VAL 73 4.545% * 1.1365% (0.13 1.00 0.02 0.14) = 1.136% kept HB2 SER 85 - QG2 VAL 73 4.545% * 1.1365% (0.13 1.00 0.02 0.02) = 1.136% kept HB3 SER 88 - QG2 VAL 62 4.545% * 1.0875% (0.13 1.00 0.02 0.02) = 1.088% kept HA2 GLY 114 - QG2 VAL 73 4.545% * 1.0846% (0.13 1.00 0.02 0.02) = 1.085% kept HA LYS+ 117 - QG2 VAL 62 4.545% * 1.0425% (0.12 1.00 0.02 0.02) = 1.043% kept HA2 GLY 114 - QG2 VAL 62 4.545% * 0.9950% (0.11 1.00 0.02 0.02) = 0.995% HB3 SER 27 - QG2 VAL 73 4.545% * 0.7467% (0.09 1.00 0.02 0.02) = 0.747% HA2 GLY 92 - QG2 VAL 73 4.545% * 0.3539% (0.04 1.00 0.02 0.02) = 0.354% HA2 GLY 92 - QG2 VAL 62 4.545% * 0.3247% (0.04 1.00 0.02 0.02) = 0.325% HD3 PRO 35 - QG2 VAL 73 4.545% * 0.2486% (0.03 1.00 0.02 0.02) = 0.249% HD3 PRO 35 - QG2 VAL 62 4.545% * 0.2280% (0.03 1.00 0.02 0.02) = 0.228% HD3 PRO 116 - QG2 VAL 73 4.545% * 0.1921% (0.02 1.00 0.02 0.02) = 0.192% HD2 PRO 116 - QG2 VAL 73 4.545% * 0.1921% (0.02 1.00 0.02 0.02) = 0.192% HD2 PRO 116 - QG2 VAL 62 4.545% * 0.1762% (0.02 1.00 0.02 0.02) = 0.176% HD3 PRO 116 - QG2 VAL 62 4.545% * 0.1762% (0.02 1.00 0.02 0.02) = 0.176% Not enough quality. Peak unassigned. Peak 119 (3.72, -0.04, 22.26 ppm): 5 chemical-shift based assignments, quality = 0.683, support = 3.57, residual support = 39.4: * T HB3 SER 69 - QD1 LEU 74 20.000% * 93.6675% (0.70 10.00 3.76 41.97) = 93.667% kept HA LYS+ 81 - QD1 LEU 74 20.000% * 3.0717% (0.45 1.00 1.03 0.30) = 3.072% kept HA LEU 43 - QD1 LEU 74 20.000% * 2.0968% (0.41 1.00 0.76 1.31) = 2.097% kept HB2 TRP 51 - QD1 LEU 74 20.000% * 1.1398% (0.38 1.00 0.45 0.23) = 1.140% kept HD3 PRO 104 - QD1 LEU 74 20.000% * 0.0243% (0.18 1.00 0.02 0.02) = 0.024% Peak 126 (3.59, 3.58, 63.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 132 (3.45, 0.96, 22.08 ppm): 12 chemical-shift based assignments, quality = 0.189, support = 1.95, residual support = 13.1: * O T HA VAL 62 - QG2 VAL 62 8.333% * 39.0663% (0.18 10.0 10.00 2.95 32.46) = 39.066% kept T HA VAL 80 - QG2 VAL 73 8.333% * 29.1475% (0.20 1.0 10.00 1.34 0.58) = 29.147% kept T HA VAL 80 - QG2 VAL 62 8.333% * 28.4200% (0.19 1.0 10.00 1.41 0.90) = 28.420% kept T HA VAL 62 - QG2 VAL 73 8.333% * 2.3542% (0.20 1.0 10.00 0.11 0.02) = 2.354% kept T HA VAL 40 - QG2 VAL 73 8.333% * 0.4458% (0.21 1.0 10.00 0.02 0.02) = 0.446% T HA VAL 40 - QG2 VAL 62 8.333% * 0.4121% (0.19 1.0 10.00 0.02 0.02) = 0.412% HD3 PRO 31 - QG2 VAL 73 8.333% * 0.0305% (0.14 1.0 1.00 0.02 0.02) = 0.030% HD3 PRO 31 - QG2 VAL 62 8.333% * 0.0282% (0.13 1.0 1.00 0.02 0.02) = 0.028% HA ILE 48 - QG2 VAL 73 8.333% * 0.0267% (0.12 1.0 1.00 0.02 0.02) = 0.027% HA ILE 48 - QG2 VAL 62 8.333% * 0.0247% (0.12 1.0 1.00 0.02 9.55) = 0.025% HA1 GLY 71 - QG2 VAL 73 8.333% * 0.0229% (0.11 1.0 1.00 0.02 0.02) = 0.023% HA1 GLY 71 - QG2 VAL 62 8.333% * 0.0212% (0.10 1.0 1.00 0.02 0.24) = 0.021% Peak 133 (3.45, 0.73, 22.14 ppm): 6 chemical-shift based assignments, quality = 0.965, support = 3.89, residual support = 42.4: * O T HA VAL 40 - QG1 VAL 40 16.667% * 98.4455% (0.98 10.0 10.00 3.95 43.10) = 98.446% kept T HA VAL 62 - QG1 VAL 40 16.667% * 0.8389% (0.84 1.0 10.00 0.02 0.02) = 0.839% T HA ILE 48 - QG1 VAL 40 16.667% * 0.4889% (0.49 1.0 10.00 0.02 0.02) = 0.489% HA VAL 80 - QG1 VAL 40 16.667% * 0.0969% (0.96 1.0 1.00 0.02 0.12) = 0.097% HD3 PRO 31 - QG1 VAL 40 16.667% * 0.0729% (0.73 1.0 1.00 0.02 0.02) = 0.073% HA1 GLY 71 - QG1 VAL 40 16.667% * 0.0569% (0.57 1.0 1.00 0.02 0.02) = 0.057% Peak 138 (3.08, 0.89, 22.12 ppm): 3 chemical-shift based assignments, quality = 0.76, support = 3.89, residual support = 78.3: * O T HA VAL 47 - QG1 VAL 47 33.333% * 98.2472% (0.77 10.0 10.00 3.93 79.67) = 98.247% kept HB3 TRP 51 - QG1 VAL 47 33.333% * 1.7235% (0.16 1.0 1.00 1.67 3.62) = 1.724% kept HB3 ASP- 25 - QG1 VAL 47 33.333% * 0.0293% (0.23 1.0 1.00 0.02 0.02) = 0.029% Peak 139 (2.84, 0.93, 22.15 ppm): 9 chemical-shift based assignments, quality = 0.275, support = 0.271, residual support = 0.0233: HB3 ASN 76 - QG2 VAL 62 11.111% * 36.8875% (0.31 0.32 0.02) = 36.887% kept HB3 ASN 76 - QG2 VAL 73 11.111% * 31.0785% (0.28 0.30 0.02) = 31.079% kept HB3 ASN 119 - QG2 VAL 62 11.111% * 17.6969% (0.17 0.29 0.02) = 17.697% kept HB3 ASN 76 - QG1 VAL 47 11.111% * 10.7225% (0.37 0.08 0.02) = 10.722% kept HB3 ASN 119 - QG1 VAL 47 11.111% * 1.4375% (0.19 0.02 0.26) = 1.437% kept HB3 ASN 119 - QG2 VAL 73 11.111% * 1.0803% (0.15 0.02 0.02) = 1.080% kept HB3 ASN 89 - QG1 VAL 47 11.111% * 0.4216% (0.06 0.02 0.02) = 0.422% HB3 ASN 89 - QG2 VAL 62 11.111% * 0.3585% (0.05 0.02 0.02) = 0.359% HB3 ASN 89 - QG2 VAL 73 11.111% * 0.3168% (0.04 0.02 0.02) = 0.317% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 140 (2.48, 0.73, 22.13 ppm): 6 chemical-shift based assignments, quality = 0.933, support = 3.95, residual support = 42.6: O HB VAL 40 - QG1 VAL 40 16.667% * 98.7486% (0.94 10.0 4.00 43.10) = 98.749% kept HG3 MET 118 - QG1 VAL 40 16.667% * 0.6531% (0.87 1.0 0.14 0.02) = 0.653% HG3 PRO 35 - QG1 VAL 40 16.667% * 0.4942% (0.87 1.0 0.11 0.02) = 0.494% HG2 PRO 112 - QG1 VAL 40 16.667% * 0.0442% (0.42 1.0 0.02 0.02) = 0.044% HG3 GLU- 45 - QG1 VAL 40 16.667% * 0.0392% (0.37 1.0 0.02 0.02) = 0.039% HB3 PRO 59 - QG1 VAL 40 16.667% * 0.0207% (0.20 1.0 0.02 0.92) = 0.021% Peak 142 (2.46, 0.96, 22.04 ppm): 10 chemical-shift based assignments, quality = 0.111, support = 0.725, residual support = 0.984: HG3 GLU- 45 - QG2 VAL 73 10.000% * 48.5716% (0.14 0.93 1.63) = 48.572% kept * HG3 GLU- 45 - QG2 VAL 62 10.000% * 23.0855% (0.12 0.50 0.50) = 23.086% kept HG2 PRO 112 - QG2 VAL 73 10.000% * 16.3980% (0.07 0.65 0.41) = 16.398% kept HG2 PRO 112 - QG2 VAL 62 10.000% * 10.8969% (0.06 0.49 0.10) = 10.897% kept HB VAL 40 - QG2 VAL 73 10.000% * 0.2332% (0.03 0.02 0.02) = 0.233% HB VAL 40 - QG2 VAL 62 10.000% * 0.2060% (0.03 0.02 0.02) = 0.206% HG3 PRO 35 - QG2 VAL 73 10.000% * 0.1616% (0.02 0.02 0.02) = 0.162% HG3 MET 118 - QG2 VAL 73 10.000% * 0.1616% (0.02 0.02 0.02) = 0.162% HG3 MET 118 - QG2 VAL 62 10.000% * 0.1428% (0.02 0.02 0.02) = 0.143% HG3 PRO 35 - QG2 VAL 62 10.000% * 0.1428% (0.02 0.02 0.02) = 0.143% Not enough quality. Peak unassigned. Peak 143 (2.23, 4.28, 63.44 ppm): 28 chemical-shift based assignments, quality = 0.638, support = 0.769, residual support = 4.44: T HB2 PRO 52 - HA VAL 122 3.571% * 67.2655% (0.92 10.00 0.52 1.58) = 67.265% kept T HB2 GLU- 50 - HB3 SER 49 3.571% * 15.7984% (0.07 10.00 1.65 17.78) = 15.798% kept T HB3 GLU- 45 - HB3 SER 49 3.571% * 12.1128% (0.06 10.00 1.32 4.72) = 12.113% kept T HG3 GLU- 10 - HB3 SER 49 3.571% * 1.2797% (0.06 10.00 0.16 0.02) = 1.280% kept HG3 GLN 102 - HB3 SER 49 3.571% * 0.6153% (0.08 1.00 0.56 0.68) = 0.615% HG2 PRO 112 - HA VAL 122 3.571% * 0.2612% (0.92 1.00 0.02 0.02) = 0.261% HG3 GLU- 109 - HA VAL 122 3.571% * 0.2608% (0.92 1.00 0.02 0.02) = 0.261% HG3 GLN 102 - HA VAL 122 3.571% * 0.2522% (0.89 1.00 0.02 0.02) = 0.252% HG3 GLU- 18 - HA VAL 122 3.571% * 0.2344% (0.83 1.00 0.02 0.02) = 0.234% T HG3 GLU- 109 - HB3 SER 49 3.571% * 0.2291% (0.08 10.00 0.02 0.02) = 0.229% HB2 GLU- 50 - HA VAL 122 3.571% * 0.2183% (0.77 1.00 0.02 0.02) = 0.218% HB3 GLU- 45 - HA VAL 122 3.571% * 0.2093% (0.74 1.00 0.02 0.02) = 0.209% HA1 GLY 58 - HA VAL 122 3.571% * 0.1898% (0.67 1.00 0.02 0.02) = 0.190% HG3 GLN 16 - HA VAL 122 3.571% * 0.1898% (0.67 1.00 0.02 0.02) = 0.190% HG3 MET 97 - HA VAL 122 3.571% * 0.1898% (0.67 1.00 0.02 0.02) = 0.190% HG3 GLU- 10 - HA VAL 122 3.571% * 0.1795% (0.63 1.00 0.02 0.02) = 0.180% HG3 MET 126 - HA VAL 122 3.571% * 0.1585% (0.56 1.00 0.02 0.02) = 0.159% HB3 ASN 15 - HA VAL 122 3.571% * 0.1375% (0.49 1.00 0.02 0.02) = 0.138% HG3 GLU- 107 - HA VAL 122 3.571% * 0.0403% (0.14 1.00 0.02 0.02) = 0.040% T HG3 GLU- 107 - HB3 SER 49 3.571% * 0.0354% (0.01 10.00 0.02 0.02) = 0.035% HG2 PRO 112 - HB3 SER 49 3.571% * 0.0229% (0.08 1.00 0.02 0.02) = 0.023% HB2 PRO 52 - HB3 SER 49 3.571% * 0.0229% (0.08 1.00 0.02 0.02) = 0.023% HG3 GLU- 18 - HB3 SER 49 3.571% * 0.0206% (0.07 1.00 0.02 0.02) = 0.021% HG3 GLN 16 - HB3 SER 49 3.571% * 0.0167% (0.06 1.00 0.02 0.13) = 0.017% HA1 GLY 58 - HB3 SER 49 3.571% * 0.0167% (0.06 1.00 0.02 0.02) = 0.017% HG3 MET 97 - HB3 SER 49 3.571% * 0.0167% (0.06 1.00 0.02 0.02) = 0.017% HG3 MET 126 - HB3 SER 49 3.571% * 0.0139% (0.05 1.00 0.02 0.02) = 0.014% HB3 ASN 15 - HB3 SER 49 3.571% * 0.0121% (0.04 1.00 0.02 0.02) = 0.012% Peak 144 (2.04, 0.95, 22.08 ppm): 26 chemical-shift based assignments, quality = 0.133, support = 0.768, residual support = 5.79: T HG2 PRO 112 - QG2 VAL 73 3.846% * 20.0585% (0.16 1.0 10.00 0.65 0.41) = 20.058% kept T HB3 GLU- 64 - QG2 VAL 62 3.846% * 16.5588% (0.13 1.0 10.00 0.66 3.47) = 16.559% kept * O T HB VAL 62 - QG2 VAL 62 3.846% * 15.4993% (0.04 10.0 10.00 2.16 32.46) = 15.499% kept T HG2 PRO 112 - QG2 VAL 62 3.846% * 14.2602% (0.15 1.0 10.00 0.49 0.10) = 14.260% kept T HG3 PRO 86 - QG2 VAL 73 3.846% * 9.6940% (0.22 1.0 10.00 0.22 0.02) = 9.694% kept T HB3 GLU- 75 - QG2 VAL 73 3.846% * 7.5832% (0.15 1.0 10.00 0.26 0.02) = 7.583% kept HB2 GLU- 45 - QG2 VAL 73 3.846% * 4.5711% (0.20 1.0 1.00 1.17 1.63) = 4.571% kept T HG2 PRO 116 - QG2 VAL 73 3.846% * 3.0478% (0.07 1.0 10.00 0.23 0.02) = 3.048% kept T HB3 GLU- 75 - QG2 VAL 62 3.846% * 2.8117% (0.14 1.0 10.00 0.10 0.02) = 2.812% kept HB2 GLU- 45 - QG2 VAL 62 3.846% * 2.7086% (0.19 1.0 1.00 0.73 0.50) = 2.709% kept T HB3 LYS+ 110 - QG2 VAL 62 3.846% * 0.8541% (0.22 1.0 10.00 0.02 0.02) = 0.854% T HG3 PRO 86 - QG2 VAL 62 3.846% * 0.8170% (0.21 1.0 10.00 0.02 0.02) = 0.817% T HB3 GLU- 64 - QG2 VAL 73 3.846% * 0.5300% (0.14 1.0 10.00 0.02 0.02) = 0.530% T HG2 PRO 116 - QG2 VAL 62 3.846% * 0.2461% (0.06 1.0 10.00 0.02 0.02) = 0.246% T HB VAL 62 - QG2 VAL 73 3.846% * 0.1640% (0.04 1.0 10.00 0.02 0.02) = 0.164% HB3 LYS+ 110 - QG2 VAL 73 3.846% * 0.0904% (0.23 1.0 1.00 0.02 0.02) = 0.090% HG3 GLU- 64 - QG2 VAL 73 3.846% * 0.0680% (0.17 1.0 1.00 0.02 0.02) = 0.068% HB3 GLU- 54 - QG2 VAL 73 3.846% * 0.0643% (0.16 1.0 1.00 0.02 0.02) = 0.064% HG3 GLU- 64 - QG2 VAL 62 3.846% * 0.0643% (0.16 1.0 1.00 0.02 3.47) = 0.064% HB3 GLU- 54 - QG2 VAL 62 3.846% * 0.0608% (0.16 1.0 1.00 0.02 0.02) = 0.061% HB3 GLU- 10 - QG2 VAL 73 3.846% * 0.0530% (0.14 1.0 1.00 0.02 0.02) = 0.053% HB3 GLU- 10 - QG2 VAL 62 3.846% * 0.0501% (0.13 1.0 1.00 0.02 0.02) = 0.050% HB3 PRO 31 - QG2 VAL 73 3.846% * 0.0456% (0.12 1.0 1.00 0.02 0.02) = 0.046% HB3 PRO 31 - QG2 VAL 62 3.846% * 0.0431% (0.11 1.0 1.00 0.02 0.02) = 0.043% HB3 GLU- 107 - QG2 VAL 73 3.846% * 0.0289% (0.07 1.0 1.00 0.02 0.12) = 0.029% HB3 GLU- 107 - QG2 VAL 62 3.846% * 0.0273% (0.07 1.0 1.00 0.02 0.02) = 0.027% Peak 145 (1.66, 4.28, 63.54 ppm): 20 chemical-shift based assignments, quality = 0.926, support = 1.28, residual support = 1.48: T HG3 ARG+ 84 - HA VAL 122 5.000% * 95.7201% (0.95 10.00 1.34 1.53) = 95.720% kept T HB3 MET 126 - HA VAL 122 5.000% * 1.3295% (0.88 10.00 0.02 0.02) = 1.329% kept T HG2 PRO 52 - HA VAL 122 5.000% * 1.0855% (0.17 10.00 0.08 1.58) = 1.086% kept T HB3 MET 126 - HB3 SER 49 5.000% * 1.0088% (0.05 10.00 0.26 0.02) = 1.009% kept HB3 LYS+ 66 - HA VAL 122 5.000% * 0.1479% (0.98 1.00 0.02 0.02) = 0.148% HB ILE 100 - HA VAL 122 5.000% * 0.1469% (0.98 1.00 0.02 0.02) = 0.147% HB3 MET 97 - HA VAL 122 5.000% * 0.1402% (0.93 1.00 0.02 0.02) = 0.140% HB3 LYS+ 81 - HA VAL 122 5.000% * 0.1133% (0.75 1.00 0.02 0.02) = 0.113% T HG3 ARG+ 84 - HB3 SER 49 5.000% * 0.0824% (0.05 10.00 0.02 0.02) = 0.082% HG2 ARG+ 22 - HA VAL 122 5.000% * 0.0722% (0.48 1.00 0.02 0.02) = 0.072% HD3 LYS+ 55 - HA VAL 122 5.000% * 0.0556% (0.37 1.00 0.02 0.02) = 0.056% HG13 ILE 19 - HA VAL 122 5.000% * 0.0412% (0.27 1.00 0.02 0.02) = 0.041% T HG2 PRO 52 - HB3 SER 49 5.000% * 0.0150% (0.01 10.00 0.02 0.02) = 0.015% HB3 LYS+ 66 - HB3 SER 49 5.000% * 0.0085% (0.06 1.00 0.02 0.02) = 0.009% HB ILE 100 - HB3 SER 49 5.000% * 0.0085% (0.06 1.00 0.02 1.46) = 0.008% HB3 MET 97 - HB3 SER 49 5.000% * 0.0081% (0.05 1.00 0.02 0.02) = 0.008% HB3 LYS+ 81 - HB3 SER 49 5.000% * 0.0065% (0.04 1.00 0.02 0.02) = 0.007% HG2 ARG+ 22 - HB3 SER 49 5.000% * 0.0042% (0.03 1.00 0.02 0.02) = 0.004% HD3 LYS+ 55 - HB3 SER 49 5.000% * 0.0032% (0.02 1.00 0.02 0.02) = 0.003% HG13 ILE 19 - HB3 SER 49 5.000% * 0.0024% (0.02 1.00 0.02 0.02) = 0.002% Peak 147 (1.19, -0.03, 22.24 ppm): 6 chemical-shift based assignments, quality = 0.708, support = 5.94, residual support = 149.0: * O HB2 LEU 74 - QD1 LEU 74 16.667% * 93.1636% (0.75 10.0 6.20 159.05) = 93.164% kept HB2 LEU 67 - QD1 LEU 74 16.667% * 4.8226% (0.22 1.0 3.47 17.19) = 4.823% kept HB2 LEU 43 - QD1 LEU 74 16.667% * 0.9495% (0.37 1.0 0.41 1.31) = 0.950% HG3 PRO 59 - QD1 LEU 74 16.667% * 0.7384% (0.20 1.0 0.59 1.54) = 0.738% QG2 THR 106 - QD1 LEU 74 16.667% * 0.3087% (0.47 1.0 0.11 0.02) = 0.309% HB3 ARG+ 22 - QD1 LEU 74 16.667% * 0.0172% (0.14 1.0 0.02 0.02) = 0.017% Peak 150 (0.90, -0.03, 22.25 ppm): 10 chemical-shift based assignments, quality = 0.817, support = 2.79, residual support = 9.5: * QD1 LEU 67 - QD1 LEU 74 10.000% * 33.1482% (0.89 3.69 17.19) = 33.148% kept QG2 VAL 40 - QD1 LEU 74 10.000% * 31.2035% (0.91 3.41 11.48) = 31.203% kept HG3 LYS+ 117 - QD1 LEU 74 10.000% * 10.2157% (0.86 1.18 1.02) = 10.216% kept QG1 VAL 47 - QD1 LEU 74 10.000% * 10.1017% (0.91 1.10 0.36) = 10.102% kept HG12 ILE 68 - QD1 LEU 74 10.000% * 6.7640% (0.20 3.31 1.08) = 6.764% kept QG1 VAL 80 - QD1 LEU 74 10.000% * 4.9125% (0.73 0.67 0.02) = 4.912% kept QG2 VAL 80 - QD1 LEU 74 10.000% * 2.4797% (0.34 0.72 0.02) = 2.480% kept QG2 VAL 125 - QD1 LEU 74 10.000% * 0.9408% (0.41 0.23 0.02) = 0.941% QG2 VAL 87 - QD1 LEU 74 10.000% * 0.1830% (0.91 0.02 0.02) = 0.183% HG3 LYS+ 110 - QD1 LEU 74 10.000% * 0.0510% (0.25 0.02 0.02) = 0.051% Peak 154 (0.12, 0.90, 22.11 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 3.73, residual support = 79.7: * O T QG2 VAL 47 - QG1 VAL 47 100.000% *100.0000% (0.98 10.0 10.00 3.73 79.67) = 100.000% kept Peak 155 (-0.03, 0.72, 22.14 ppm): 1 chemical-shift based assignment, quality = 0.88, support = 2.66, residual support = 11.5: T QD1 LEU 74 - QG1 VAL 40 100.000% *100.0000% (0.88 10.00 2.66 11.48) = 100.000% kept Peak 157 (8.96, 0.70, 21.70 ppm): 12 chemical-shift based assignments, quality = 0.519, support = 1.99, residual support = 5.71: HN LEU 17 - QG2 VAL 94 8.333% * 20.0020% (0.73 2.11 7.19) = 20.002% kept * HN MET 97 - QG2 THR 96 8.333% * 17.6441% (0.55 2.46 4.81) = 17.644% kept HN THR 96 - QG2 THR 96 8.333% * 14.8716% (0.31 3.63 20.98) = 14.872% kept HN ILE 19 - QG2 VAL 94 8.333% * 13.4225% (0.54 1.91 0.38) = 13.423% kept HN THR 96 - QG2 VAL 94 8.333% * 9.0574% (0.42 1.65 0.56) = 9.057% kept HN LEU 17 - QG2 THR 96 8.333% * 7.8448% (0.54 1.11 0.22) = 7.845% kept HN ARG+ 22 - QG2 VAL 94 8.333% * 4.9222% (0.48 0.79 0.02) = 4.922% kept HN PHE 21 - QG2 VAL 94 8.333% * 3.2999% (0.33 0.76 0.02) = 3.300% kept HN ILE 19 - QG2 THR 96 8.333% * 3.2108% (0.40 0.61 5.73) = 3.211% kept HN MET 97 - QG2 VAL 94 8.333% * 2.4758% (0.74 0.26 0.02) = 2.476% kept HN ARG+ 22 - QG2 THR 96 8.333% * 2.0461% (0.36 0.44 0.02) = 2.046% kept HN PHE 21 - QG2 THR 96 8.333% * 1.2027% (0.25 0.37 0.02) = 1.203% kept Peak 158 (8.78, 1.11, 21.74 ppm): 12 chemical-shift based assignments, quality = 0.17, support = 4.03, residual support = 20.5: * HN THR 95 - QG2 THR 95 8.333% * 45.8242% (0.18 4.83 30.02) = 45.824% kept HN VAL 62 - QG2 THR 61 8.333% * 36.9240% (0.14 4.75 18.10) = 36.924% kept HN THR 95 - QG2 THR 61 8.333% * 5.2160% (0.38 0.26 0.02) = 5.216% kept HN PHE 34 - QG2 THR 61 8.333% * 4.1294% (0.22 0.35 0.02) = 4.129% kept HN THR 95 - QG2 THR 79 8.333% * 3.0400% (0.14 0.41 0.02) = 3.040% kept HN VAL 62 - QG2 THR 79 8.333% * 2.1283% (0.05 0.76 0.44) = 2.128% kept HN SER 69 - QG2 THR 95 8.333% * 1.5866% (0.16 0.19 0.02) = 1.587% kept HN SER 69 - QG2 THR 79 8.333% * 0.5251% (0.12 0.08 0.02) = 0.525% HN SER 69 - QG2 THR 61 8.333% * 0.3593% (0.33 0.02 0.02) = 0.359% HN PHE 34 - QG2 THR 95 8.333% * 0.1097% (0.10 0.02 0.02) = 0.110% HN PHE 34 - QG2 THR 79 8.333% * 0.0847% (0.08 0.02 0.02) = 0.085% HN VAL 62 - QG2 THR 95 8.333% * 0.0727% (0.07 0.02 0.02) = 0.073% Peak 159 (8.79, 0.69, 21.70 ppm): 8 chemical-shift based assignments, quality = 0.736, support = 4.09, residual support = 20.0: * HN THR 95 - QG2 VAL 94 12.500% * 76.4356% (0.82 4.71 22.36) = 76.436% kept HN THR 95 - QG2 THR 96 12.500% * 16.5085% (0.29 2.86 17.55) = 16.508% kept HN SER 69 - QG2 VAL 94 12.500% * 6.0074% (0.95 0.32 0.02) = 6.007% kept HN ASN 57 - QG2 VAL 94 12.500% * 0.7951% (0.20 0.21 0.02) = 0.795% HN SER 69 - QG2 THR 96 12.500% * 0.1336% (0.34 0.02 0.02) = 0.134% HN PHE 34 - QG2 VAL 94 12.500% * 0.0681% (0.17 0.02 0.02) = 0.068% HN ASN 57 - QG2 THR 96 12.500% * 0.0274% (0.07 0.02 0.02) = 0.027% HN PHE 34 - QG2 THR 96 12.500% * 0.0242% (0.06 0.02 0.02) = 0.024% Peak 160 (8.61, 0.68, 21.70 ppm): 8 chemical-shift based assignments, quality = 0.618, support = 2.41, residual support = 3.22: * HN LYS+ 20 - QG2 VAL 94 12.500% * 71.5018% (0.78 2.70 4.01) = 71.502% kept HN LYS+ 20 - QG2 THR 96 12.500% * 19.4214% (0.24 2.36 1.78) = 19.421% kept HN VAL 80 - QG2 VAL 94 12.500% * 3.3071% (0.19 0.50 0.02) = 3.307% kept HN THR 39 - QG2 VAL 94 12.500% * 1.7487% (0.22 0.24 0.02) = 1.749% kept HN SER 85 - QG2 VAL 94 12.500% * 1.4857% (0.36 0.12 0.02) = 1.486% kept HN SER 85 - QG2 THR 96 12.500% * 1.1420% (0.11 0.30 0.51) = 1.142% kept HN THR 39 - QG2 THR 96 12.500% * 0.8144% (0.07 0.36 0.02) = 0.814% HN VAL 80 - QG2 THR 96 12.500% * 0.5789% (0.06 0.29 0.02) = 0.579% Peak 161 (8.27, 1.17, 21.82 ppm): 5 chemical-shift based assignments, quality = 0.475, support = 2.42, residual support = 17.9: * HN THR 106 - QG2 THR 106 20.000% * 96.3545% (0.48 2.52 18.53) = 96.355% kept HN ASN 89 - QG2 THR 106 20.000% * 1.4886% (0.93 0.02 0.02) = 1.489% kept HN ASP- 28 - QG2 THR 106 20.000% * 0.9545% (0.60 0.02 0.02) = 0.954% HN ASP- 115 - QG2 THR 106 20.000% * 0.8909% (0.56 0.02 0.02) = 0.891% HN ALA 91 - QG2 THR 106 20.000% * 0.3114% (0.19 0.02 0.02) = 0.311% Peak 162 (7.99, -0.11, 21.90 ppm): 4 chemical-shift based assignments, quality = 0.92, support = 7.3, residual support = 165.4: * HN LEU 43 - QD1 LEU 43 25.000% * 91.9000% (0.95 7.86 179.96) = 91.900% kept HN MET 126 - QD1 LEU 43 25.000% * 7.8267% (0.63 1.01 0.28) = 7.827% kept HN LYS+ 111 - QD1 LEU 43 25.000% * 0.2202% (0.22 0.08 0.02) = 0.220% HN SER 27 - QD1 LEU 43 25.000% * 0.0531% (0.22 0.02 0.02) = 0.053% Peak 163 (7.80, 1.32, 21.76 ppm): 5 chemical-shift based assignments, quality = 0.663, support = 4.12, residual support = 21.6: * HN THR 46 - QG2 THR 46 20.000% * 85.2972% (0.65 4.77 25.30) = 85.297% kept HN VAL 87 - QG2 THR 46 20.000% * 9.3917% (0.69 0.49 0.02) = 9.392% kept HN ALA 93 - QG2 THR 46 20.000% * 4.7716% (1.00 0.17 0.02) = 4.772% kept HN LYS+ 55 - QG2 THR 46 20.000% * 0.4427% (0.80 0.02 0.02) = 0.443% HN LYS+ 63 - QG2 THR 46 20.000% * 0.0968% (0.17 0.02 0.02) = 0.097% Peak 164 (7.44, 1.12, 21.77 ppm): 3 chemical-shift based assignments, quality = 0.295, support = 2.45, residual support = 15.5: * HN THR 61 - QG2 THR 61 33.333% * 87.7987% (0.32 2.65 17.56) = 87.799% kept HN THR 61 - QG2 THR 79 33.333% * 12.0693% (0.11 1.03 0.80) = 12.069% kept HN THR 61 - QG2 THR 95 33.333% * 0.1320% (0.06 0.02 0.02) = 0.132% Peak 165 (7.34, 1.32, 21.79 ppm): 7 chemical-shift based assignments, quality = 0.625, support = 2.27, residual support = 7.06: * HN VAL 47 - QG2 THR 46 14.286% * 42.5363% (0.37 4.32 16.21) = 42.536% kept HZ PHE 34 - QG2 THR 46 14.286% * 22.2746% (0.89 0.95 0.34) = 22.275% kept QE PHE 34 - QG2 THR 46 14.286% * 16.5811% (0.89 0.71 0.34) = 16.581% kept QD PHE 34 - QG2 THR 46 14.286% * 9.2750% (0.44 0.79 0.34) = 9.275% kept HZ2 TRP 51 - QG2 THR 46 14.286% * 9.0234% (0.89 0.38 0.02) = 9.023% kept HN ARG+ 84 - QG2 THR 46 14.286% * 0.1789% (0.34 0.02 0.02) = 0.179% HE22 GLN 102 - QG2 THR 46 14.286% * 0.1308% (0.25 0.02 0.02) = 0.131% Peak 166 (7.34, -0.11, 21.86 ppm): 7 chemical-shift based assignments, quality = 0.835, support = 3.09, residual support = 13.5: HZ PHE 34 - QD1 LEU 43 14.286% * 36.3149% (0.96 3.43 14.98) = 36.315% kept QD PHE 34 - QD1 LEU 43 14.286% * 27.4417% (0.59 4.19 14.98) = 27.442% kept * QE PHE 34 - QD1 LEU 43 14.286% * 26.0607% (0.96 2.46 14.98) = 26.061% kept HZ2 TRP 51 - QD1 LEU 43 14.286% * 5.5209% (0.96 0.52 0.18) = 5.521% kept HN VAL 47 - QD1 LEU 43 14.286% * 3.8416% (0.52 0.68 0.53) = 3.842% kept HN ARG+ 84 - QD1 LEU 43 14.286% * 0.6413% (0.48 0.12 0.02) = 0.641% HE22 GLN 102 - QD1 LEU 43 14.286% * 0.1789% (0.15 0.11 0.02) = 0.179% Peak 167 (7.05, 1.32, 21.79 ppm): 2 chemical-shift based assignments, quality = 0.862, support = 1.38, residual support = 2.28: * QE PHE 21 - QG2 THR 46 50.000% * 90.9627% (0.86 1.51 2.50) = 90.963% kept QD TYR 83 - QG2 THR 46 50.000% * 9.0373% (0.89 0.14 0.02) = 9.037% kept Peak 168 (7.04, -0.10, 21.91 ppm): 2 chemical-shift based assignments, quality = 0.928, support = 1.79, residual support = 8.62: * QE PHE 21 - QD1 LEU 43 50.000% * 88.7761% (0.97 1.97 9.69) = 88.776% kept QD TYR 83 - QD1 LEU 43 50.000% * 11.2239% (0.59 0.41 0.11) = 11.224% kept Peak 169 (6.87, -0.11, 21.86 ppm): 4 chemical-shift based assignments, quality = 0.633, support = 2.29, residual support = 7.42: QD PHE 21 - QD1 LEU 43 25.000% * 39.0606% (0.55 3.05 9.69) = 39.061% kept * HZ PHE 21 - QD1 LEU 43 25.000% * 31.9598% (0.67 2.06 9.69) = 31.960% kept HD21 ASN 119 - QD1 LEU 43 25.000% * 27.3436% (0.74 1.58 1.98) = 27.344% kept HD22 ASN 15 - QD1 LEU 43 25.000% * 1.6361% (0.19 0.37 0.02) = 1.636% kept Peak 170 (4.84, 0.70, 21.72 ppm): 8 chemical-shift based assignments, quality = 0.414, support = 2.66, residual support = 18.1: * O HA THR 96 - QG2 THR 96 12.500% * 85.3073% (0.40 10.0 2.85 20.98) = 85.307% kept HA THR 96 - QG2 VAL 94 12.500% * 9.4014% (0.65 1.0 1.36 0.56) = 9.401% kept HA GLU- 18 - QG2 VAL 94 12.500% * 3.6341% (0.14 1.0 2.51 3.64) = 3.634% kept HA ASP- 115 - QG2 VAL 94 12.500% * 1.5285% (0.44 1.0 0.33 0.02) = 1.528% kept HA ASP- 115 - QG2 THR 96 12.500% * 0.0578% (0.27 1.0 0.02 0.02) = 0.058% HB THR 39 - QG2 VAL 94 12.500% * 0.0328% (0.15 1.0 0.02 0.02) = 0.033% HB THR 39 - QG2 THR 96 12.500% * 0.0202% (0.09 1.0 0.02 0.02) = 0.020% HA GLU- 18 - QG2 THR 96 12.500% * 0.0179% (0.08 1.0 0.02 0.02) = 0.018% Peak 171 (4.79, 1.17, 21.81 ppm): 4 chemical-shift based assignments, quality = 0.644, support = 0.919, residual support = 1.14: HA ASN 15 - QG2 THR 106 25.000% * 88.0534% (0.63 1.03 1.30) = 88.053% kept HA LEU 23 - QG2 THR 106 25.000% * 9.8744% (0.82 0.09 0.02) = 9.874% kept HA GLU- 18 - QG2 THR 106 25.000% * 1.0833% (0.40 0.02 0.02) = 1.083% kept HB THR 39 - QG2 THR 106 25.000% * 0.9889% (0.37 0.02 0.02) = 0.989% Peak 172 (4.72, 1.11, 21.83 ppm): 18 chemical-shift based assignments, quality = 0.181, support = 2.71, residual support = 13.6: * O HA THR 61 - QG2 THR 61 5.556% * 60.9386% (0.14 10.0 3.05 17.56) = 60.939% kept HA THR 39 - QG2 THR 79 5.556% * 16.9666% (0.24 1.0 3.36 16.04) = 16.967% kept HA LYS+ 20 - QG2 THR 79 5.556% * 9.4879% (0.29 1.0 1.57 1.30) = 9.488% kept HA2 GLY 30 - QG2 THR 79 5.556% * 6.7751% (0.26 1.0 1.25 0.20) = 6.775% kept HA THR 61 - QG2 THR 79 5.556% * 4.1081% (0.20 1.0 0.99 0.80) = 4.108% kept HA LYS+ 20 - QG2 THR 95 5.556% * 0.8586% (0.07 1.0 0.55 7.00) = 0.859% HA THR 39 - QG2 THR 95 5.556% * 0.3563% (0.06 1.0 0.27 0.17) = 0.356% HA LYS+ 20 - QG2 THR 61 5.556% * 0.0885% (0.21 1.0 0.02 0.12) = 0.089% HA2 GLY 30 - QG2 THR 61 5.556% * 0.0796% (0.19 1.0 0.02 0.02) = 0.080% HA THR 39 - QG2 THR 61 5.556% * 0.0741% (0.18 1.0 0.02 0.02) = 0.074% HA VAL 99 - QG2 THR 79 5.556% * 0.0637% (0.15 1.0 0.02 0.02) = 0.064% HA VAL 99 - QG2 THR 61 5.556% * 0.0467% (0.11 1.0 0.02 0.02) = 0.047% HA GLN 16 - QG2 THR 79 5.556% * 0.0454% (0.11 1.0 0.02 0.02) = 0.045% HA GLN 16 - QG2 THR 61 5.556% * 0.0333% (0.08 1.0 0.02 0.02) = 0.033% HA2 GLY 30 - QG2 THR 95 5.556% * 0.0280% (0.07 1.0 0.02 0.02) = 0.028% HA THR 61 - QG2 THR 95 5.556% * 0.0214% (0.05 1.0 0.02 0.02) = 0.021% HA VAL 99 - QG2 THR 95 5.556% * 0.0164% (0.04 1.0 0.02 0.02) = 0.016% HA GLN 16 - QG2 THR 95 5.556% * 0.0117% (0.03 1.0 0.02 0.02) = 0.012% Peak 173 (4.52, 1.32, 21.79 ppm): 7 chemical-shift based assignments, quality = 0.97, support = 2.77, residual support = 23.8: * O HB THR 46 - QG2 THR 46 14.286% * 94.1299% (0.99 10.0 2.89 25.30) = 94.130% kept HA LYS+ 55 - QG2 THR 46 14.286% * 2.9363% (0.83 1.0 0.75 0.02) = 2.936% kept HA ALA 103 - QG2 THR 46 14.286% * 2.8188% (0.52 1.0 1.14 0.31) = 2.819% kept HB THR 79 - QG2 THR 46 14.286% * 0.0534% (0.56 1.0 0.02 0.02) = 0.053% HA CYS 123 - QG2 THR 46 14.286% * 0.0235% (0.25 1.0 0.02 0.02) = 0.024% HA SER 77 - QG2 THR 46 14.286% * 0.0235% (0.25 1.0 0.02 0.02) = 0.024% HA LEU 17 - QG2 THR 46 14.286% * 0.0146% (0.15 1.0 0.02 0.02) = 0.015% Peak 182 (4.37, 1.11, 21.80 ppm): 27 chemical-shift based assignments, quality = 0.258, support = 2.93, residual support = 11.8: * O T HB THR 61 - QG2 THR 61 3.704% * 57.4429% (0.30 10.0 10.00 3.68 17.56) = 57.443% kept T HB THR 61 - QG2 THR 79 3.704% * 28.6832% (0.20 1.0 10.00 1.47 0.80) = 28.683% kept HA LYS+ 60 - QG2 THR 61 3.704% * 10.0628% (0.27 1.0 1.00 3.79 15.13) = 10.063% kept HA LYS+ 60 - QG2 THR 79 3.704% * 1.6167% (0.19 1.0 1.00 0.90 0.02) = 1.617% kept HB THR 61 - QG2 THR 95 3.704% * 0.5044% (0.09 1.0 1.00 0.60 0.02) = 0.504% T HA ALA 37 - QG2 THR 61 3.704% * 0.4809% (0.25 1.0 10.00 0.02 0.02) = 0.481% T HA ALA 37 - QG2 THR 79 3.704% * 0.3258% (0.17 1.0 10.00 0.02 0.02) = 0.326% HA LYS+ 60 - QG2 THR 95 3.704% * 0.3037% (0.08 1.0 1.00 0.39 0.02) = 0.304% T HA ALA 37 - QG2 THR 95 3.704% * 0.1399% (0.07 1.0 10.00 0.02 0.02) = 0.140% HA2 GLY 26 - QG2 THR 61 3.704% * 0.0556% (0.29 1.0 1.00 0.02 0.02) = 0.056% HA TRP 51 - QG2 THR 61 3.704% * 0.0545% (0.28 1.0 1.00 0.02 0.02) = 0.054% HA SER 27 - QG2 THR 61 3.704% * 0.0461% (0.24 1.0 1.00 0.02 0.02) = 0.046% HA2 GLY 26 - QG2 THR 79 3.704% * 0.0376% (0.19 1.0 1.00 0.02 0.02) = 0.038% HA TRP 51 - QG2 THR 79 3.704% * 0.0369% (0.19 1.0 1.00 0.02 0.02) = 0.037% HA ALA 91 - QG2 THR 61 3.704% * 0.0326% (0.17 1.0 1.00 0.02 0.02) = 0.033% HA SER 27 - QG2 THR 79 3.704% * 0.0312% (0.16 1.0 1.00 0.02 0.02) = 0.031% HA SER 88 - QG2 THR 61 3.704% * 0.0258% (0.13 1.0 1.00 0.02 0.02) = 0.026% HA ALA 91 - QG2 THR 79 3.704% * 0.0221% (0.11 1.0 1.00 0.02 0.02) = 0.022% HA SER 88 - QG2 THR 79 3.704% * 0.0175% (0.09 1.0 1.00 0.02 0.02) = 0.017% HA2 GLY 26 - QG2 THR 95 3.704% * 0.0162% (0.08 1.0 1.00 0.02 0.02) = 0.016% HA TRP 51 - QG2 THR 95 3.704% * 0.0158% (0.08 1.0 1.00 0.02 0.02) = 0.016% HA SER 27 - QG2 THR 95 3.704% * 0.0134% (0.07 1.0 1.00 0.02 0.02) = 0.013% HA ALA 91 - QG2 THR 95 3.704% * 0.0095% (0.05 1.0 1.00 0.02 0.02) = 0.009% HA ASN 57 - QG2 THR 61 3.704% * 0.0089% (0.05 1.0 1.00 0.02 0.02) = 0.009% HA SER 88 - QG2 THR 95 3.704% * 0.0075% (0.04 1.0 1.00 0.02 0.02) = 0.008% HA ASN 57 - QG2 THR 79 3.704% * 0.0060% (0.03 1.0 1.00 0.02 0.02) = 0.006% HA ASN 57 - QG2 THR 95 3.704% * 0.0026% (0.01 1.0 1.00 0.02 0.02) = 0.003% Peak 184 (4.31, 1.17, 21.82 ppm): 6 chemical-shift based assignments, quality = 0.323, support = 2.33, residual support = 17.8: * O T HA THR 106 - QG2 THR 106 16.667% * 96.2807% (0.30 10.0 10.00 2.42 18.53) = 96.281% kept T HA ILE 29 - QG2 THR 106 16.667% * 3.0577% (0.97 1.0 10.00 0.02 0.02) = 3.058% kept HA ALA 93 - QG2 THR 106 16.667% * 0.3092% (0.98 1.0 1.00 0.02 0.02) = 0.309% HA ASP- 36 - QG2 THR 106 16.667% * 0.1766% (0.56 1.0 1.00 0.02 0.02) = 0.177% HA CYS 121 - QG2 THR 106 16.667% * 0.1064% (0.34 1.0 1.00 0.02 0.02) = 0.106% HB3 CYS 121 - QG2 THR 106 16.667% * 0.0694% (0.22 1.0 1.00 0.02 0.02) = 0.069% Peak 186 (4.17, 1.17, 21.83 ppm): 7 chemical-shift based assignments, quality = 0.897, support = 2.22, residual support = 15.9: * O T HB THR 106 - QG2 THR 106 14.286% * 83.1469% (0.90 10.0 10.00 2.19 18.53) = 83.147% kept HA VAL 105 - QG2 THR 106 14.286% * 12.0324% (0.90 1.0 1.00 2.89 4.01) = 12.032% kept HB3 SER 49 - QG2 THR 106 14.286% * 4.6121% (0.93 1.0 1.00 1.07 0.45) = 4.612% kept HA VAL 73 - QG2 THR 106 14.286% * 0.0721% (0.78 1.0 1.00 0.02 0.11) = 0.072% HA VAL 65 - QG2 THR 106 14.286% * 0.0654% (0.71 1.0 1.00 0.02 0.02) = 0.065% HA VAL 87 - QG2 THR 106 14.286% * 0.0510% (0.55 1.0 1.00 0.02 0.02) = 0.051% HB2 SER 88 - QG2 THR 106 14.286% * 0.0201% (0.22 1.0 1.00 0.02 0.02) = 0.020% Peak 187 (4.11, 1.32, 21.78 ppm): 8 chemical-shift based assignments, quality = 0.982, support = 2.8, residual support = 24.1: * O T HA THR 46 - QG2 THR 46 12.500% * 95.2271% (0.99 10.0 10.00 2.89 25.30) = 95.227% kept HB3 SER 49 - QG2 THR 46 12.500% * 4.4748% (0.85 1.0 1.00 1.10 0.02) = 4.475% kept HA ALA 70 - QG2 THR 46 12.500% * 0.0828% (0.86 1.0 1.00 0.02 0.02) = 0.083% HA LYS+ 63 - QG2 THR 46 12.500% * 0.0797% (0.83 1.0 1.00 0.02 0.02) = 0.080% HA ARG+ 53 - QG2 THR 46 12.500% * 0.0465% (0.48 1.0 1.00 0.02 0.02) = 0.046% HA THR 24 - QG2 THR 46 12.500% * 0.0465% (0.48 1.0 1.00 0.02 0.02) = 0.046% HA LYS+ 110 - QG2 THR 46 12.500% * 0.0238% (0.25 1.0 1.00 0.02 0.02) = 0.024% HA2 GLY 71 - QG2 THR 46 12.500% * 0.0189% (0.20 1.0 1.00 0.02 0.02) = 0.019% Peak 189 (3.95, 3.94, 63.32 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 190 (3.93, 0.70, 21.72 ppm): 8 chemical-shift based assignments, quality = 0.551, support = 1.81, residual support = 14.8: * O T HB THR 96 - QG2 THR 96 12.500% * 69.6277% (0.52 10.0 10.00 2.31 20.98) = 69.628% kept T HB THR 96 - QG2 VAL 94 12.500% * 29.8157% (0.64 1.0 10.00 0.69 0.56) = 29.816% kept T HA LEU 74 - QG2 THR 96 12.500% * 0.3696% (0.27 1.0 10.00 0.02 0.02) = 0.370% HA LEU 74 - QG2 VAL 94 12.500% * 0.0458% (0.34 1.0 1.00 0.02 0.02) = 0.046% HB2 SER 77 - QG2 VAL 94 12.500% * 0.0424% (0.31 1.0 1.00 0.02 0.02) = 0.042% HA1 GLY 114 - QG2 VAL 94 12.500% * 0.0358% (0.27 1.0 1.00 0.02 0.02) = 0.036% HB2 SER 77 - QG2 THR 96 12.500% * 0.0342% (0.25 1.0 1.00 0.02 0.02) = 0.034% HA1 GLY 114 - QG2 THR 96 12.500% * 0.0289% (0.21 1.0 1.00 0.02 0.02) = 0.029% Peak 196 (3.73, -0.11, 21.88 ppm): 3 chemical-shift based assignments, quality = 0.923, support = 5.52, residual support = 176.0: * T HA LEU 43 - QD1 LEU 43 33.333% * 97.8100% (0.94 10.00 5.60 179.96) = 97.810% kept HB3 SER 69 - QD1 LEU 43 33.333% * 2.1164% (0.22 1.00 1.88 1.67) = 2.116% kept HD3 PRO 104 - QD1 LEU 43 33.333% * 0.0736% (0.71 1.00 0.02 0.02) = 0.074% Peak 204 (2.11, -0.11, 21.86 ppm): 13 chemical-shift based assignments, quality = 0.979, support = 5.65, residual support = 173.7: * O T HB3 LEU 43 - QD1 LEU 43 7.692% * 96.5219% (0.99 10.0 10.00 5.83 179.96) = 96.522% kept HB3 GLU- 75 - QD1 LEU 43 7.692% * 2.8576% (0.95 1.0 1.00 0.61 0.02) = 2.858% kept HB VAL 87 - QD1 LEU 43 7.692% * 0.0915% (0.94 1.0 1.00 0.02 0.02) = 0.092% HB2 GLU- 56 - QD1 LEU 43 7.692% * 0.0893% (0.91 1.0 1.00 0.02 0.02) = 0.089% HG2 PRO 112 - QD1 LEU 43 7.692% * 0.0830% (0.85 1.0 1.00 0.02 0.02) = 0.083% HB VAL 105 - QD1 LEU 43 7.692% * 0.0702% (0.72 1.0 1.00 0.02 0.02) = 0.070% HB VAL 65 - QD1 LEU 43 7.692% * 0.0702% (0.72 1.0 1.00 0.02 0.02) = 0.070% HB2 MET 118 - QD1 LEU 43 7.692% * 0.0509% (0.52 1.0 1.00 0.02 0.02) = 0.051% HG2 GLU- 45 - QD1 LEU 43 7.692% * 0.0509% (0.52 1.0 1.00 0.02 0.02) = 0.051% HB VAL 125 - QD1 LEU 43 7.692% * 0.0363% (0.37 1.0 1.00 0.02 0.14) = 0.036% HB2 LYS+ 110 - QD1 LEU 43 7.692% * 0.0299% (0.31 1.0 1.00 0.02 0.11) = 0.030% HB2 ASP- 28 - QD1 LEU 43 7.692% * 0.0241% (0.25 1.0 1.00 0.02 0.02) = 0.024% HD3 LYS+ 110 - QD1 LEU 43 7.692% * 0.0241% (0.25 1.0 1.00 0.02 0.11) = 0.024% Peak 214 (1.62, -0.11, 21.89 ppm): 11 chemical-shift based assignments, quality = 0.805, support = 5.26, residual support = 167.9: * O T HG LEU 43 - QD1 LEU 43 9.091% * 93.3149% (0.81 10.0 10.00 5.60 179.96) = 93.315% kept HB ILE 68 - QD1 LEU 43 9.091% * 3.3743% (0.81 1.0 1.00 0.72 0.61) = 3.374% kept HG12 ILE 101 - QD1 LEU 43 9.091% * 1.5195% (0.78 1.0 1.00 0.34 0.02) = 1.520% kept HG2 LYS+ 110 - QD1 LEU 43 9.091% * 1.3137% (0.87 1.0 1.00 0.26 0.11) = 1.314% kept HG3 LYS+ 78 - QD1 LEU 43 9.091% * 0.1107% (0.96 1.0 1.00 0.02 0.02) = 0.111% HB VAL 122 - QD1 LEU 43 9.091% * 0.0933% (0.81 1.0 1.00 0.02 0.02) = 0.093% HB3 PRO 52 - QD1 LEU 43 9.091% * 0.0854% (0.74 1.0 1.00 0.02 0.02) = 0.085% HG LEU 23 - QD1 LEU 43 9.091% * 0.0811% (0.70 1.0 1.00 0.02 0.02) = 0.081% HD3 LYS+ 32 - QD1 LEU 43 9.091% * 0.0678% (0.59 1.0 1.00 0.02 0.02) = 0.068% HG2 ARG+ 22 - QD1 LEU 43 9.091% * 0.0196% (0.17 1.0 1.00 0.02 0.02) = 0.020% HB3 LYS+ 32 - QD1 LEU 43 9.091% * 0.0196% (0.17 1.0 1.00 0.02 0.02) = 0.020% Peak 224 (1.42, -0.11, 21.88 ppm): 13 chemical-shift based assignments, quality = 0.915, support = 2.91, residual support = 17.5: HD3 LYS+ 44 - QD1 LEU 43 7.692% * 61.3257% (0.98 4.13 27.85) = 61.326% kept * QG2 THR 38 - QD1 LEU 43 7.692% * 20.7842% (0.93 1.48 1.46) = 20.784% kept HG3 ARG+ 22 - QD1 LEU 43 7.692% * 5.8741% (0.82 0.47 0.02) = 5.874% kept QB ALA 91 - QD1 LEU 43 7.692% * 3.7712% (0.96 0.26 0.02) = 3.771% kept HG LEU 67 - QD1 LEU 43 7.692% * 3.6812% (0.56 0.44 3.85) = 3.681% kept HD3 LYS+ 20 - QD1 LEU 43 7.692% * 1.8212% (0.22 0.55 0.02) = 1.821% kept QB ALA 37 - QD1 LEU 43 7.692% * 1.5405% (0.75 0.14 0.02) = 1.540% kept HD3 LYS+ 113 - QD1 LEU 43 7.692% * 0.2577% (0.85 0.02 0.02) = 0.258% HG3 LYS+ 55 - QD1 LEU 43 7.692% * 0.2481% (0.82 0.02 0.02) = 0.248% HG3 LYS+ 113 - QD1 LEU 43 7.692% * 0.2270% (0.75 0.02 0.02) = 0.227% HG LEU 90 - QD1 LEU 43 7.692% * 0.1563% (0.52 0.02 0.02) = 0.156% QB ALA 93 - QD1 LEU 43 7.692% * 0.1563% (0.52 0.02 0.02) = 0.156% HG13 ILE 100 - QD1 LEU 43 7.692% * 0.1563% (0.52 0.02 0.02) = 0.156% Peak 227 (1.32, 1.32, 21.79 ppm): 1 diagonal assignment: * QG2 THR 46 - QG2 THR 46 (0.97) kept Peak 245 (1.17, 1.17, 21.82 ppm): 1 diagonal assignment: * QG2 THR 106 - QG2 THR 106 (0.97) kept Peak 256 (1.16, -0.11, 21.88 ppm): 6 chemical-shift based assignments, quality = 0.89, support = 5.46, residual support = 172.8: * O T HB2 LEU 43 - QD1 LEU 43 16.667% * 96.0119% (0.91 10.0 10.00 5.66 179.96) = 96.012% kept QB ALA 33 - QD1 LEU 43 16.667% * 3.2339% (0.60 1.0 1.00 1.03 0.02) = 3.234% kept T HB2 LEU 74 - QD1 LEU 43 16.667% * 0.5472% (0.52 1.0 10.00 0.02 1.31) = 0.547% HG3 PRO 59 - QD1 LEU 43 16.667% * 0.1040% (0.98 1.0 1.00 0.02 0.02) = 0.104% QG2 THR 106 - QD1 LEU 43 16.667% * 0.0869% (0.82 1.0 1.00 0.02 0.02) = 0.087% HG3 LYS+ 32 - QD1 LEU 43 16.667% * 0.0160% (0.15 1.0 1.00 0.02 0.02) = 0.016% Peak 258 (1.01, 1.17, 21.82 ppm): 2 chemical-shift based assignments, quality = 0.825, support = 0.02, residual support = 0.02: QG1 VAL 99 - QG2 THR 106 50.000% * 81.6578% (0.96 0.02 0.02) = 81.658% kept HG3 LYS+ 20 - QG2 THR 106 50.000% * 18.3422% (0.22 0.02 0.02) = 18.342% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 260 (0.92, -0.11, 21.79 ppm): 13 chemical-shift based assignments, quality = 0.588, support = 1.34, residual support = 2.53: QG2 VAL 80 - QD1 LEU 43 7.692% * 22.6239% (0.75 1.67 4.17) = 22.624% kept HG12 ILE 68 - QD1 LEU 43 7.692% * 16.5260% (0.62 1.48 0.61) = 16.526% kept QD1 LEU 67 - QD1 LEU 43 7.692% * 13.6466% (0.59 1.28 3.85) = 13.647% kept * QG2 VAL 40 - QD1 LEU 43 7.692% * 12.8052% (0.46 1.54 4.76) = 12.805% kept HG3 LYS+ 110 - QD1 LEU 43 7.692% * 10.5254% (0.68 0.86 0.11) = 10.525% kept HG3 LYS+ 117 - QD1 LEU 43 7.692% * 8.1582% (0.65 0.70 0.02) = 8.158% kept QG1 VAL 80 - QD1 LEU 43 7.692% * 7.1344% (0.20 1.95 4.17) = 7.134% kept QG1 VAL 47 - QD1 LEU 43 7.692% * 7.1074% (0.53 0.75 0.53) = 7.107% kept QG2 VAL 105 - QD1 LEU 43 7.692% * 0.6004% (0.40 0.08 0.02) = 0.600% QG1 VAL 105 - QD1 LEU 43 7.692% * 0.5304% (0.33 0.09 0.02) = 0.530% QG2 VAL 87 - QD1 LEU 43 7.692% * 0.1658% (0.46 0.02 0.02) = 0.166% QD1 LEU 17 - QD1 LEU 43 7.692% * 0.1313% (0.36 0.02 0.02) = 0.131% QG2 VAL 62 - QD1 LEU 43 7.692% * 0.0452% (0.13 0.02 3.21) = 0.045% Peak 266 (0.70, -0.10, 21.87 ppm): 10 chemical-shift based assignments, quality = 0.792, support = 0.45, residual support = 0.421: QG2 ILE 68 - QD1 LEU 43 10.000% * 62.1062% (0.80 0.63 0.61) = 62.106% kept HG12 ILE 19 - QD1 LEU 43 10.000% * 23.0125% (0.76 0.24 0.02) = 23.012% kept QG2 ILE 101 - QD1 LEU 43 10.000% * 2.4177% (0.98 0.02 0.02) = 2.418% kept QG2 ILE 48 - QD1 LEU 43 10.000% * 2.3888% (0.97 0.02 1.60) = 2.389% kept QG1 VAL 65 - QD1 LEU 43 10.000% * 2.3786% (0.96 0.02 0.02) = 2.379% kept QD1 ILE 19 - QD1 LEU 43 10.000% * 2.1379% (0.86 0.02 0.02) = 2.138% kept QG2 THR 96 - QD1 LEU 43 10.000% * 2.0587% (0.83 0.02 0.02) = 2.059% kept QG2 VAL 94 - QD1 LEU 43 10.000% * 1.9736% (0.80 0.02 0.02) = 1.974% kept HG LEU 74 - QD1 LEU 43 10.000% * 0.8407% (0.34 0.02 1.31) = 0.841% QG1 VAL 62 - QD1 LEU 43 10.000% * 0.6853% (0.28 0.02 3.21) = 0.685% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 272 (0.48, -0.11, 21.89 ppm): 2 chemical-shift based assignments, quality = 0.845, support = 5.14, residual support = 149.1: * O T QD2 LEU 43 - QD1 LEU 43 50.000% * 82.7200% (0.95 10.0 10.00 5.96 179.96) = 82.720% kept T QD2 LEU 74 - QD1 LEU 43 50.000% * 17.2800% (0.34 1.0 10.00 1.18 1.31) = 17.280% kept Peak 280 (-0.10, -0.11, 21.88 ppm): 1 diagonal assignment: * QD1 LEU 43 - QD1 LEU 43 (0.98) kept Peak 283 (8.95, 1.09, 21.50 ppm): 12 chemical-shift based assignments, quality = 0.788, support = 3.0, residual support = 12.6: * HN THR 96 - QG2 THR 95 8.333% * 53.3968% (0.93 4.33 17.55) = 53.397% kept HN MET 97 - QG2 THR 95 8.333% * 15.6863% (0.63 1.90 0.61) = 15.686% kept HN ARG+ 22 - QG2 THR 95 8.333% * 13.0866% (0.96 1.03 0.84) = 13.087% kept HN ILE 19 - QG2 THR 95 8.333% * 8.5941% (0.27 2.42 34.03) = 8.594% kept HN LEU 17 - QG2 THR 95 8.333% * 4.6710% (0.81 0.44 1.09) = 4.671% kept HN ARG+ 22 - QG2 THR 61 8.333% * 1.4803% (0.25 0.44 0.02) = 1.480% kept HN ILE 19 - QG2 THR 61 8.333% * 1.3597% (0.07 1.45 0.47) = 1.360% kept HN PHE 21 - QG2 THR 95 8.333% * 0.8796% (0.87 0.08 0.02) = 0.880% HN LEU 17 - QG2 THR 61 8.333% * 0.6761% (0.21 0.24 0.02) = 0.676% HN THR 96 - QG2 THR 61 8.333% * 0.0652% (0.25 0.02 0.02) = 0.065% HN PHE 21 - QG2 THR 61 8.333% * 0.0606% (0.23 0.02 0.02) = 0.061% HN MET 97 - QG2 THR 61 8.333% * 0.0437% (0.17 0.02 0.02) = 0.044% Peak 284 (8.80, 0.82, 21.52 ppm): 5 chemical-shift based assignments, quality = 0.333, support = 4.05, residual support = 18.2: * HN THR 95 - QG1 VAL 94 20.000% * 81.2468% (0.28 4.93 22.36) = 81.247% kept HN ASN 57 - QG1 VAL 94 20.000% * 10.2239% (0.73 0.24 0.02) = 10.224% kept HN SER 69 - QG1 VAL 94 20.000% * 7.3648% (0.45 0.28 0.02) = 7.365% kept HN LYS+ 32 - QG1 VAL 94 20.000% * 0.7194% (0.61 0.02 0.02) = 0.719% HN LYS+ 60 - QG1 VAL 94 20.000% * 0.4451% (0.38 0.02 0.02) = 0.445% Peak 285 (8.60, 1.42, 21.47 ppm): 8 chemical-shift based assignments, quality = 0.593, support = 2.17, residual support = 9.4: * HN THR 39 - QG2 THR 38 12.500% * 62.3095% (0.60 3.10 14.77) = 62.310% kept HN VAL 80 - QG2 THR 38 12.500% * 14.9235% (0.57 0.79 0.97) = 14.924% kept HN VAL 73 - QG2 THR 38 12.500% * 11.1620% (0.43 0.78 0.38) = 11.162% kept HN LYS+ 20 - QG2 THR 38 12.500% * 9.7972% (0.86 0.34 0.11) = 9.797% kept HN LYS+ 20 - HD3 LYS+ 44 12.500% * 0.6327% (0.95 0.02 0.02) = 0.633% HN THR 39 - HD3 LYS+ 44 12.500% * 0.4434% (0.66 0.02 0.02) = 0.443% HN VAL 80 - HD3 LYS+ 44 12.500% * 0.4175% (0.63 0.02 0.12) = 0.418% HN VAL 73 - HD3 LYS+ 44 12.500% * 0.3142% (0.47 0.02 0.02) = 0.314% Peak 286 (8.47, 4.18, 62.80 ppm): 30 chemical-shift based assignments, quality = 0.556, support = 3.13, residual support = 8.47: * O HN LEU 74 - HA VAL 73 3.333% * 81.4339% (0.52 10.0 3.68 10.37) = 81.434% kept HN GLU- 107 - HA VAL 73 3.333% * 7.8111% (0.91 1.0 1.10 0.12) = 7.811% kept HN GLY 92 - HB3 SER 49 3.333% * 4.0200% (0.74 1.0 0.69 0.19) = 4.020% kept HN GLY 92 - HA VAL 73 3.333% * 3.1116% (0.88 1.0 0.45 0.02) = 3.112% kept HN GLU- 107 - HA VAL 105 3.333% * 1.6347% (0.41 1.0 0.51 0.11) = 1.635% kept HN LYS+ 113 - HA VAL 73 3.333% * 0.4567% (0.63 1.0 0.09 0.02) = 0.457% HN GLU- 107 - HA VAL 65 3.333% * 0.1299% (0.83 1.0 0.02 0.02) = 0.130% HN GLY 92 - HA VAL 65 3.333% * 0.1265% (0.80 1.0 0.02 0.02) = 0.126% HN GLU- 107 - HB3 SER 49 3.333% * 0.1192% (0.76 1.0 0.02 0.02) = 0.119% HN LYS+ 113 - HA VAL 65 3.333% * 0.0900% (0.57 1.0 0.02 0.02) = 0.090% HN LYS+ 113 - HB3 SER 49 3.333% * 0.0826% (0.53 1.0 0.02 0.02) = 0.083% HN GLU- 18 - HA VAL 73 3.333% * 0.0814% (0.52 1.0 0.02 0.02) = 0.081% HN GLU- 18 - HA VAL 65 3.333% * 0.0742% (0.47 1.0 0.02 0.02) = 0.074% HN LEU 74 - HA VAL 65 3.333% * 0.0742% (0.47 1.0 0.02 0.02) = 0.074% HN GLU- 18 - HB3 SER 49 3.333% * 0.0681% (0.43 1.0 0.02 0.02) = 0.068% HN LEU 74 - HB3 SER 49 3.333% * 0.0681% (0.43 1.0 0.02 0.71) = 0.068% HN GLU- 107 - HA VAL 87 3.333% * 0.0631% (0.40 1.0 0.02 0.02) = 0.063% HN GLY 92 - HA VAL 105 3.333% * 0.0626% (0.40 1.0 0.02 0.02) = 0.063% HN GLY 92 - HA VAL 87 3.333% * 0.0615% (0.39 1.0 0.02 0.02) = 0.061% HN GLU- 10 - HA VAL 73 3.333% * 0.0540% (0.34 1.0 0.02 0.02) = 0.054% HN GLU- 10 - HA VAL 65 3.333% * 0.0492% (0.31 1.0 0.02 0.02) = 0.049% HN GLU- 10 - HB3 SER 49 3.333% * 0.0451% (0.29 1.0 0.02 0.02) = 0.045% HN LYS+ 113 - HA VAL 105 3.333% * 0.0445% (0.28 1.0 0.02 0.02) = 0.045% HN LYS+ 113 - HA VAL 87 3.333% * 0.0438% (0.28 1.0 0.02 0.02) = 0.044% HN GLU- 18 - HA VAL 105 3.333% * 0.0367% (0.23 1.0 0.02 0.02) = 0.037% HN LEU 74 - HA VAL 105 3.333% * 0.0367% (0.23 1.0 0.02 0.02) = 0.037% HN GLU- 18 - HA VAL 87 3.333% * 0.0361% (0.23 1.0 0.02 0.02) = 0.036% HN LEU 74 - HA VAL 87 3.333% * 0.0361% (0.23 1.0 0.02 0.02) = 0.036% HN GLU- 10 - HA VAL 105 3.333% * 0.0243% (0.15 1.0 0.02 0.02) = 0.024% HN GLU- 10 - HA VAL 87 3.333% * 0.0239% (0.15 1.0 0.02 0.02) = 0.024% Peak 287 (8.23, 4.38, 63.07 ppm): 33 chemical-shift based assignments, quality = 0.228, support = 2.35, residual support = 9.25: * O HN VAL 105 - HA PRO 104 3.030% * 69.7801% (0.19 10.0 2.78 9.44) = 69.780% kept HN VAL 94 - HA THR 95 3.030% * 11.7535% (0.26 1.0 2.52 22.36) = 11.753% kept HN LEU 67 - HA THR 95 3.030% * 7.0385% (0.52 1.0 0.75 0.28) = 7.038% kept HN GLU- 12 - HA PRO 112 3.030% * 4.8350% (0.31 1.0 0.87 0.22) = 4.835% kept HN THR 106 - HA PRO 104 3.030% * 2.5307% (0.21 1.0 0.67 0.02) = 2.531% kept HN LYS+ 81 - HA PRO 104 3.030% * 1.3678% (0.42 1.0 0.18 0.02) = 1.368% kept HN GLY 58 - HA THR 95 3.030% * 0.1915% (0.53 1.0 0.02 0.02) = 0.191% HN LYS+ 81 - HA THR 95 3.030% * 0.1877% (0.52 1.0 0.02 0.02) = 0.188% HN SER 49 - HA THR 95 3.030% * 0.1848% (0.51 1.0 0.02 0.02) = 0.185% HN GLU- 12 - HA THR 95 3.030% * 0.1768% (0.49 1.0 0.02 0.02) = 0.177% HN GLY 58 - HA PRO 104 3.030% * 0.1556% (0.43 1.0 0.02 0.02) = 0.156% HN LEU 67 - HA PRO 104 3.030% * 0.1526% (0.42 1.0 0.02 0.02) = 0.153% HN SER 49 - HA PRO 104 3.030% * 0.1502% (0.42 1.0 0.02 0.02) = 0.150% HN GLU- 12 - HA PRO 104 3.030% * 0.1437% (0.40 1.0 0.02 0.02) = 0.144% HN GLY 58 - HA PRO 112 3.030% * 0.1204% (0.33 1.0 0.02 0.02) = 0.120% HN LEU 67 - HA PRO 112 3.030% * 0.1180% (0.33 1.0 0.02 0.02) = 0.118% HN LYS+ 81 - HA PRO 112 3.030% * 0.1180% (0.33 1.0 0.02 0.02) = 0.118% HN SER 49 - HA PRO 112 3.030% * 0.1162% (0.32 1.0 0.02 0.02) = 0.116% HN THR 106 - HA THR 95 3.030% * 0.0932% (0.26 1.0 0.02 0.02) = 0.093% HN VAL 105 - HA THR 95 3.030% * 0.0858% (0.24 1.0 0.02 0.02) = 0.086% HN ASP- 115 - HA THR 95 3.030% * 0.0787% (0.22 1.0 0.02 0.02) = 0.079% HN VAL 94 - HA PRO 104 3.030% * 0.0758% (0.21 1.0 0.02 0.02) = 0.076% HN ASP- 115 - HA PRO 104 3.030% * 0.0640% (0.18 1.0 0.02 0.02) = 0.064% HN ALA 11 - HA THR 95 3.030% * 0.0591% (0.16 1.0 0.02 0.02) = 0.059% HN VAL 94 - HA PRO 112 3.030% * 0.0586% (0.16 1.0 0.02 0.02) = 0.059% HN THR 106 - HA PRO 112 3.030% * 0.0586% (0.16 1.0 0.02 0.02) = 0.059% HN VAL 105 - HA PRO 112 3.030% * 0.0540% (0.15 1.0 0.02 0.02) = 0.054% HN ASP- 115 - HA PRO 112 3.030% * 0.0495% (0.14 1.0 0.02 0.02) = 0.049% HN ALA 11 - HA PRO 104 3.030% * 0.0480% (0.13 1.0 0.02 0.02) = 0.048% HN GLU- 45 - HA THR 95 3.030% * 0.0477% (0.13 1.0 0.02 0.02) = 0.048% HN GLU- 45 - HA PRO 104 3.030% * 0.0388% (0.11 1.0 0.02 0.02) = 0.039% HN ALA 11 - HA PRO 112 3.030% * 0.0372% (0.10 1.0 0.02 0.02) = 0.037% HN GLU- 45 - HA PRO 112 3.030% * 0.0300% (0.08 1.0 0.02 0.28) = 0.030% Peak 288 (8.18, 3.81, 62.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 289 (8.22, 0.82, 21.52 ppm): 10 chemical-shift based assignments, quality = 0.935, support = 3.84, residual support = 46.0: * HN VAL 94 - QG1 VAL 94 10.000% * 86.3382% (0.99 4.36 53.31) = 86.338% kept HN LEU 67 - QG1 VAL 94 10.000% * 7.0686% (0.37 0.95 0.02) = 7.069% kept HN VAL 105 - QG1 VAL 94 10.000% * 5.0455% (0.99 0.26 0.02) = 5.045% kept HN ALA 11 - QG1 VAL 94 10.000% * 0.3746% (0.94 0.02 0.02) = 0.375% HN GLU- 45 - QG1 VAL 94 10.000% * 0.3552% (0.89 0.02 0.02) = 0.355% HN SER 49 - QG1 VAL 94 10.000% * 0.2562% (0.64 0.02 0.02) = 0.256% HN GLY 58 - QG1 VAL 94 10.000% * 0.1928% (0.48 0.02 0.02) = 0.193% HN LYS+ 81 - QG1 VAL 94 10.000% * 0.1486% (0.37 0.02 0.28) = 0.149% HN GLU- 12 - QG1 VAL 94 10.000% * 0.1101% (0.28 0.02 0.02) = 0.110% HN ALA 33 - QG1 VAL 94 10.000% * 0.1101% (0.28 0.02 0.02) = 0.110% Peak 290 (8.08, 0.81, 21.29 ppm): 12 chemical-shift based assignments, quality = 0.223, support = 0.836, residual support = 1.21: HN LYS+ 110 - QG1 VAL 94 8.333% * 31.7731% (0.44 0.45 0.10) = 31.773% kept HN LYS+ 110 - QG2 VAL 13 8.333% * 25.7537% (0.09 1.80 4.14) = 25.754% kept HN CYS 121 - QG2 VAL 13 8.333% * 10.4901% (0.09 0.73 0.14) = 10.490% kept HN GLU- 75 - QG2 VAL 13 8.333% * 10.4228% (0.09 0.76 0.56) = 10.423% kept HN GLU- 75 - QG1 VAL 94 8.333% * 5.8987% (0.42 0.09 0.02) = 5.899% kept HN ASN 15 - QG1 VAL 94 8.333% * 3.6039% (0.09 0.25 0.02) = 3.604% kept HN MET 118 - QG2 VAL 13 8.333% * 3.5557% (0.03 0.70 0.44) = 3.556% kept * HN ASN 15 - QG2 VAL 13 8.333% * 2.8439% (0.02 0.97 0.52) = 2.844% kept HN VAL 122 - QG2 VAL 13 8.333% * 2.6901% (0.07 0.25 0.02) = 2.690% kept HN CYS 121 - QG1 VAL 94 8.333% * 1.4094% (0.44 0.02 0.02) = 1.409% kept HN VAL 122 - QG1 VAL 94 8.333% * 1.0605% (0.33 0.02 0.02) = 1.061% kept HN MET 118 - QG1 VAL 94 8.333% * 0.4982% (0.16 0.02 0.02) = 0.498% Peak 291 (7.74, 3.81, 62.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 292 (7.33, 1.42, 21.50 ppm): 12 chemical-shift based assignments, quality = 0.887, support = 2.43, residual support = 7.96: QE PHE 34 - HD3 LYS+ 44 8.333% * 32.2171% (0.96 3.12 8.99) = 32.217% kept HZ PHE 34 - HD3 LYS+ 44 8.333% * 28.4121% (0.96 2.75 8.99) = 28.412% kept QD PHE 34 - HD3 LYS+ 44 8.333% * 18.7471% (0.70 2.50 8.99) = 18.747% kept HZ2 TRP 51 - HD3 LYS+ 44 8.333% * 11.9629% (0.96 1.16 0.10) = 11.963% kept HN VAL 47 - HD3 LYS+ 44 8.333% * 3.7932% (0.62 0.57 21.28) = 3.793% kept * QD PHE 34 - QG2 THR 38 8.333% * 2.3077% (0.64 0.34 0.02) = 2.308% kept QE PHE 34 - QG2 THR 38 8.333% * 1.0050% (0.88 0.11 0.02) = 1.005% kept HZ PHE 34 - QG2 THR 38 8.333% * 1.0050% (0.88 0.11 0.02) = 1.005% kept HZ2 TRP 51 - QG2 THR 38 8.333% * 0.1885% (0.88 0.02 0.02) = 0.189% HN ARG+ 84 - HD3 LYS+ 44 8.333% * 0.1251% (0.58 0.02 0.02) = 0.125% HN VAL 47 - QG2 THR 38 8.333% * 0.1220% (0.57 0.02 0.02) = 0.122% HN ARG+ 84 - QG2 THR 38 8.333% * 0.1144% (0.53 0.02 0.02) = 0.114% Peak 293 (4.99, 4.18, 62.74 ppm): 20 chemical-shift based assignments, quality = 0.635, support = 1.59, residual support = 1.23: HA SER 69 - HA VAL 73 5.000% * 24.9288% (0.76 2.43 1.90) = 24.929% kept * HA ILE 68 - HA VAL 73 5.000% * 15.3263% (0.59 1.94 1.95) = 15.326% kept HA ILE 68 - HB3 SER 49 5.000% * 11.8999% (0.52 1.72 1.95) = 11.900% kept HA ILE 68 - HA VAL 65 5.000% * 10.7309% (0.73 1.09 1.17) = 10.731% kept HA SER 69 - HB3 SER 49 5.000% * 9.7676% (0.67 1.09 0.54) = 9.768% kept HA MET 97 - HA VAL 73 5.000% * 7.4913% (0.44 1.28 0.02) = 7.491% kept HA SER 69 - HA VAL 65 5.000% * 7.2094% (0.95 0.57 0.02) = 7.209% kept HA ILE 68 - HA VAL 105 5.000% * 6.5403% (0.37 1.32 0.60) = 6.540% kept HA SER 69 - HA VAL 105 5.000% * 4.9037% (0.48 0.76 0.11) = 4.904% kept HA PRO 31 - HA VAL 65 5.000% * 0.2149% (0.80 0.02 0.02) = 0.215% HA PRO 31 - HA VAL 73 5.000% * 0.1727% (0.64 0.02 0.02) = 0.173% HA PRO 31 - HB3 SER 49 5.000% * 0.1517% (0.57 0.02 0.02) = 0.152% HA MET 97 - HA VAL 65 5.000% * 0.1457% (0.54 0.02 0.02) = 0.146% HA PRO 31 - HA VAL 105 5.000% * 0.1081% (0.40 0.02 0.02) = 0.108% HA MET 97 - HB3 SER 49 5.000% * 0.1028% (0.38 0.02 0.02) = 0.103% HA MET 97 - HA VAL 105 5.000% * 0.0733% (0.27 0.02 0.02) = 0.073% HA SER 69 - HA VAL 87 5.000% * 0.0731% (0.27 0.02 0.02) = 0.073% HA PRO 31 - HA VAL 87 5.000% * 0.0616% (0.23 0.02 0.02) = 0.062% HA ILE 68 - HA VAL 87 5.000% * 0.0563% (0.21 0.02 0.02) = 0.056% HA MET 97 - HA VAL 87 5.000% * 0.0417% (0.16 0.02 0.02) = 0.042% Peak 294 (4.79, 0.83, 21.45 ppm): 4 chemical-shift based assignments, quality = 0.251, support = 0.875, residual support = 3.13: HA GLU- 18 - QG1 VAL 94 25.000% * 85.9688% (0.18 1.01 3.64) = 85.969% kept HA ASN 15 - QG1 VAL 94 25.000% * 7.6817% (0.84 0.02 0.02) = 7.682% kept HA LEU 23 - QG1 VAL 94 25.000% * 4.8494% (0.53 0.02 0.02) = 4.849% kept HB THR 39 - QG1 VAL 94 25.000% * 1.5001% (0.16 0.02 0.02) = 1.500% kept Peak 295 (4.28, 0.82, 21.51 ppm): 19 chemical-shift based assignments, quality = 0.893, support = 4.01, residual support = 49.0: * O HA VAL 94 - QG1 VAL 94 5.263% * 91.8090% (0.92 10.0 4.29 53.31) = 91.809% kept HA GLU- 56 - QG1 VAL 94 5.263% * 4.1699% (0.68 1.0 1.22 1.53) = 4.170% kept HA PRO 52 - QG1 VAL 94 5.263% * 2.3782% (0.89 1.0 0.53 0.02) = 2.378% kept HA LEU 90 - QG1 VAL 94 5.263% * 0.8443% (0.99 1.0 0.17 0.02) = 0.844% HA VAL 122 - QG1 VAL 94 5.263% * 0.0992% (0.99 1.0 0.02 0.02) = 0.099% HB3 CYS 121 - QG1 VAL 94 5.263% * 0.0918% (0.92 1.0 0.02 0.02) = 0.092% HA ARG+ 84 - QG1 VAL 94 5.263% * 0.0892% (0.89 1.0 0.02 0.02) = 0.089% HA SER 85 - QG1 VAL 94 5.263% * 0.0892% (0.89 1.0 0.02 0.02) = 0.089% HA THR 106 - QG1 VAL 94 5.263% * 0.0831% (0.83 1.0 0.02 0.02) = 0.083% HA CYS 121 - QG1 VAL 94 5.263% * 0.0796% (0.80 1.0 0.02 0.02) = 0.080% HA ASP- 36 - QG1 VAL 94 5.263% * 0.0563% (0.56 1.0 0.02 0.02) = 0.056% HA GLU- 64 - QG1 VAL 94 5.263% * 0.0523% (0.52 1.0 0.02 0.02) = 0.052% HA GLU- 75 - QG1 VAL 94 5.263% * 0.0484% (0.48 1.0 0.02 0.02) = 0.048% HA GLU- 107 - QG1 VAL 94 5.263% * 0.0221% (0.22 1.0 0.02 0.02) = 0.022% HA ASN 119 - QG1 VAL 94 5.263% * 0.0221% (0.22 1.0 0.02 0.02) = 0.022% HA ASN 76 - QG1 VAL 94 5.263% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% HA ILE 29 - QG1 VAL 94 5.263% * 0.0153% (0.15 1.0 0.02 0.02) = 0.015% HA ALA 11 - QG1 VAL 94 5.263% * 0.0153% (0.15 1.0 0.02 0.02) = 0.015% HB3 SER 49 - QG1 VAL 94 5.263% * 0.0147% (0.15 1.0 0.02 0.02) = 0.015% Peak 297 (4.03, 1.42, 21.49 ppm): 12 chemical-shift based assignments, quality = 0.275, support = 3.1, residual support = 19.9: * O T HA THR 38 - QG2 THR 38 8.333% * 69.2763% (0.34 10.0 10.00 3.47 20.35) = 69.276% kept O T HB THR 38 - QG2 THR 38 8.333% * 28.4803% (0.14 10.0 10.00 2.45 20.35) = 28.480% kept T HA THR 38 - HD3 LYS+ 44 8.333% * 0.7505% (0.37 1.0 10.00 0.02 0.02) = 0.750% HA VAL 13 - QG2 THR 38 8.333% * 0.6491% (0.69 1.0 1.00 0.09 0.02) = 0.649% T HB THR 38 - HD3 LYS+ 44 8.333% * 0.3085% (0.15 1.0 10.00 0.02 0.02) = 0.309% HA VAL 13 - HD3 LYS+ 44 8.333% * 0.1528% (0.75 1.0 1.00 0.02 0.02) = 0.153% HB3 SER 85 - HD3 LYS+ 44 8.333% * 0.1132% (0.55 1.0 1.00 0.02 0.02) = 0.113% HB3 SER 85 - QG2 THR 38 8.333% * 0.1045% (0.51 1.0 1.00 0.02 0.02) = 0.105% HB THR 95 - HD3 LYS+ 44 8.333% * 0.0445% (0.22 1.0 1.00 0.02 0.02) = 0.045% HB3 SER 49 - HD3 LYS+ 44 8.333% * 0.0412% (0.20 1.0 1.00 0.02 0.02) = 0.041% HB THR 95 - QG2 THR 38 8.333% * 0.0411% (0.20 1.0 1.00 0.02 0.02) = 0.041% HB3 SER 49 - QG2 THR 38 8.333% * 0.0380% (0.19 1.0 1.00 0.02 0.02) = 0.038% Peak 298 (4.00, 1.08, 21.52 ppm): 8 chemical-shift based assignments, quality = 0.951, support = 2.88, residual support = 29.6: * O T HB THR 95 - QG2 THR 95 12.500% * 98.6469% (0.96 10.0 10.00 2.92 30.02) = 98.647% kept HA THR 38 - QG2 THR 95 12.500% * 0.9980% (0.85 1.0 1.00 0.23 0.02) = 0.998% T HB THR 95 - QG2 THR 61 12.500% * 0.1962% (0.19 1.0 10.00 0.02 0.02) = 0.196% HA1 GLY 92 - QG2 THR 95 12.500% * 0.0691% (0.68 1.0 1.00 0.02 0.02) = 0.069% HA VAL 13 - QG2 THR 95 12.500% * 0.0490% (0.48 1.0 1.00 0.02 0.02) = 0.049% HA THR 38 - QG2 THR 61 12.500% * 0.0174% (0.17 1.0 1.00 0.02 0.02) = 0.017% HA1 GLY 92 - QG2 THR 61 12.500% * 0.0137% (0.13 1.0 1.00 0.02 0.02) = 0.014% HA VAL 13 - QG2 THR 61 12.500% * 0.0097% (0.10 1.0 1.00 0.02 0.02) = 0.010% Peak 299 (3.83, 3.82, 62.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 300 (2.25, 1.08, 21.47 ppm): 30 chemical-shift based assignments, quality = 0.37, support = 0.416, residual support = 0.271: HB VAL 80 - QG2 THR 95 3.333% * 30.8599% (0.52 1.00 0.54 0.70) = 30.860% kept T HG3 GLU- 18 - QG2 THR 61 3.333% * 11.0386% (0.03 10.00 0.38 0.02) = 11.039% kept HG2 PRO 112 - QG2 THR 61 3.333% * 10.4020% (0.20 1.00 0.49 0.11) = 10.402% kept HG3 GLU- 18 - QG2 THR 95 3.333% * 9.2005% (0.13 1.00 0.63 0.02) = 9.201% kept HG3 GLN 16 - QG2 THR 95 3.333% * 8.9717% (0.76 1.00 0.11 0.02) = 8.972% kept HG3 GLN 102 - QG2 THR 61 3.333% * 5.2632% (0.04 1.00 1.24 0.64) = 5.263% kept HB VAL 80 - QG2 THR 61 3.333% * 4.7805% (0.10 1.00 0.42 0.02) = 4.780% kept HG2 PRO 112 - QG2 THR 95 3.333% * 2.1372% (0.98 1.00 0.02 0.02) = 2.137% kept HB3 ASN 15 - QG2 THR 95 3.333% * 1.9954% (0.92 1.00 0.02 0.02) = 1.995% kept HG3 GLU- 107 - QG2 THR 95 3.333% * 1.9954% (0.92 1.00 0.02 0.02) = 1.995% kept HG3 GLU- 54 - QG2 THR 95 3.333% * 1.8750% (0.86 1.00 0.02 0.02) = 1.875% kept HG3 GLU- 10 - QG2 THR 95 3.333% * 1.7309% (0.79 1.00 0.02 0.02) = 1.731% kept HB3 GLU- 45 - QG2 THR 95 3.333% * 1.4848% (0.68 1.00 0.02 0.02) = 1.485% kept T HG3 GLU- 109 - QG2 THR 61 3.333% * 1.1953% (0.05 10.00 0.02 0.02) = 1.195% kept HG3 GLU- 75 - QG2 THR 95 3.333% * 0.9691% (0.44 1.00 0.02 0.02) = 0.969% HB3 LYS+ 117 - QG2 THR 95 3.333% * 0.9691% (0.44 1.00 0.02 0.02) = 0.969% HB3 PRO 112 - QG2 THR 95 3.333% * 0.7189% (0.33 1.00 0.02 0.02) = 0.719% HB2 PRO 52 - QG2 THR 95 3.333% * 0.6010% (0.28 1.00 0.02 0.02) = 0.601% HG3 GLU- 109 - QG2 THR 95 3.333% * 0.6010% (0.28 1.00 0.02 0.02) = 0.601% HG3 GLN 102 - QG2 THR 95 3.333% * 0.4278% (0.20 1.00 0.02 0.02) = 0.428% HB3 ASN 15 - QG2 THR 61 3.333% * 0.3969% (0.18 1.00 0.02 0.02) = 0.397% HG3 GLU- 107 - QG2 THR 61 3.333% * 0.3969% (0.18 1.00 0.02 0.02) = 0.397% HG3 GLU- 54 - QG2 THR 61 3.333% * 0.3729% (0.17 1.00 0.02 0.02) = 0.373% HG3 GLU- 10 - QG2 THR 61 3.333% * 0.3443% (0.16 1.00 0.02 0.02) = 0.344% HG3 GLN 16 - QG2 THR 61 3.333% * 0.3286% (0.15 1.00 0.02 0.02) = 0.329% HB3 GLU- 45 - QG2 THR 61 3.333% * 0.2953% (0.14 1.00 0.02 0.02) = 0.295% HB3 LYS+ 117 - QG2 THR 61 3.333% * 0.1927% (0.09 1.00 0.02 0.02) = 0.193% HG3 GLU- 75 - QG2 THR 61 3.333% * 0.1927% (0.09 1.00 0.02 0.02) = 0.193% HB3 PRO 112 - QG2 THR 61 3.333% * 0.1430% (0.07 1.00 0.02 0.11) = 0.143% HB2 PRO 52 - QG2 THR 61 3.333% * 0.1195% (0.05 1.00 0.02 0.02) = 0.120% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 301 (2.19, 4.38, 63.05 ppm): 36 chemical-shift based assignments, quality = 0.335, support = 3.46, residual support = 36.9: * O T HB3 PRO 104 - HA PRO 104 2.778% * 43.2431% (0.40 10.0 10.00 3.87 38.96) = 43.243% kept O HG2 PRO 112 - HA PRO 112 2.778% * 39.7527% (0.37 10.0 1.00 3.80 39.48) = 39.753% kept O HG2 PRO 104 - HA PRO 104 2.778% * 11.0988% (0.10 10.0 1.00 2.34 38.96) = 11.099% kept T HB3 GLU- 75 - HA THR 95 2.778% * 4.0582% (0.14 1.0 10.00 0.53 0.02) = 4.058% kept T HB3 PRO 104 - HA THR 95 2.778% * 0.5248% (0.48 1.0 10.00 0.02 0.02) = 0.525% T HB3 PRO 104 - HA PRO 112 2.778% * 0.3490% (0.32 1.0 10.00 0.02 3.72) = 0.349% T HB3 GLU- 75 - HA PRO 104 2.778% * 0.1273% (0.12 1.0 10.00 0.02 0.02) = 0.127% T HB3 GLU- 75 - HA PRO 112 2.778% * 0.1028% (0.09 1.0 10.00 0.02 0.30) = 0.103% HG2 PRO 112 - HA THR 95 2.778% * 0.0598% (0.55 1.0 1.00 0.02 0.02) = 0.060% HG2 MET 126 - HA THR 95 2.778% * 0.0559% (0.51 1.0 1.00 0.02 0.02) = 0.056% HB VAL 99 - HA THR 95 2.778% * 0.0543% (0.50 1.0 1.00 0.02 0.02) = 0.054% HG2 PRO 112 - HA PRO 104 2.778% * 0.0493% (0.45 1.0 1.00 0.02 3.72) = 0.049% HG2 MET 126 - HA PRO 104 2.778% * 0.0460% (0.42 1.0 1.00 0.02 0.02) = 0.046% HB VAL 99 - HA PRO 104 2.778% * 0.0447% (0.41 1.0 1.00 0.02 0.02) = 0.045% HB2 ASP- 82 - HA THR 95 2.778% * 0.0416% (0.38 1.0 1.00 0.02 0.02) = 0.042% HG2 GLN 102 - HA THR 95 2.778% * 0.0391% (0.36 1.0 1.00 0.02 0.02) = 0.039% HG2 MET 126 - HA PRO 112 2.778% * 0.0371% (0.34 1.0 1.00 0.02 0.02) = 0.037% HB VAL 99 - HA PRO 112 2.778% * 0.0361% (0.33 1.0 1.00 0.02 0.02) = 0.036% HB2 ASP- 82 - HA PRO 104 2.778% * 0.0342% (0.32 1.0 1.00 0.02 0.02) = 0.034% HG2 GLN 102 - HA PRO 104 2.778% * 0.0322% (0.30 1.0 1.00 0.02 0.02) = 0.032% HB2 ASP- 82 - HA PRO 112 2.778% * 0.0276% (0.25 1.0 1.00 0.02 0.02) = 0.028% HG2 GLN 102 - HA PRO 112 2.778% * 0.0260% (0.24 1.0 1.00 0.02 0.02) = 0.026% HG3 MET 126 - HA THR 95 2.778% * 0.0187% (0.17 1.0 1.00 0.02 0.02) = 0.019% HG3 MET 126 - HA PRO 104 2.778% * 0.0154% (0.14 1.0 1.00 0.02 0.02) = 0.015% HA1 GLY 58 - HA THR 95 2.778% * 0.0135% (0.12 1.0 1.00 0.02 0.02) = 0.013% HG3 MET 97 - HA THR 95 2.778% * 0.0135% (0.12 1.0 1.00 0.02 0.61) = 0.013% HG2 PRO 104 - HA THR 95 2.778% * 0.0135% (0.12 1.0 1.00 0.02 0.02) = 0.013% HG3 MET 126 - HA PRO 112 2.778% * 0.0124% (0.11 1.0 1.00 0.02 0.02) = 0.012% HG3 MET 97 - HA PRO 104 2.778% * 0.0111% (0.10 1.0 1.00 0.02 0.02) = 0.011% HA1 GLY 58 - HA PRO 104 2.778% * 0.0111% (0.10 1.0 1.00 0.02 0.02) = 0.011% HB2 GLU- 50 - HA THR 95 2.778% * 0.0093% (0.09 1.0 1.00 0.02 0.02) = 0.009% HG3 MET 97 - HA PRO 112 2.778% * 0.0090% (0.08 1.0 1.00 0.02 0.02) = 0.009% HA1 GLY 58 - HA PRO 112 2.778% * 0.0090% (0.08 1.0 1.00 0.02 0.02) = 0.009% HG2 PRO 104 - HA PRO 112 2.778% * 0.0090% (0.08 1.0 1.00 0.02 3.72) = 0.009% HB2 GLU- 50 - HA PRO 104 2.778% * 0.0077% (0.07 1.0 1.00 0.02 0.02) = 0.008% HB2 GLU- 50 - HA PRO 112 2.778% * 0.0062% (0.06 1.0 1.00 0.02 0.02) = 0.006% Peak 311 (1.42, 1.42, 21.48 ppm): 2 diagonal assignments: HD3 LYS+ 44 - HD3 LYS+ 44 (0.93) kept QG2 THR 38 - QG2 THR 38 (0.74) kept Peak 328 (0.92, 4.38, 62.87 ppm): 45 chemical-shift based assignments, quality = 0.0706, support = 1.07, residual support = 5.95: QG2 VAL 105 - HA PRO 104 2.222% * 33.3665% (0.09 1.58 9.44) = 33.366% kept QG1 VAL 105 - HA PRO 104 2.222% * 29.2014% (0.08 1.58 9.44) = 29.201% kept QG2 VAL 40 - HA THR 95 2.222% * 6.4914% (0.08 0.37 0.02) = 6.491% kept QG1 VAL 47 - HA PRO 104 2.222% * 6.4567% (0.07 0.41 0.02) = 6.457% kept QG2 VAL 62 - HA PRO 112 2.222% * 2.9137% (0.03 0.42 0.10) = 2.914% kept QG2 ILE 29 - HA PRO 112 2.222% * 2.4617% (0.02 0.57 0.85) = 2.462% kept HG12 ILE 68 - HA PRO 104 2.222% * 2.2097% (0.13 0.08 0.02) = 2.210% kept QD1 LEU 67 - HA THR 95 2.222% * 2.0303% (0.11 0.08 0.28) = 2.030% kept QG2 VAL 73 - HA PRO 112 2.222% * 1.4037% (0.02 0.29 0.41) = 1.404% kept QG2 VAL 80 - HA THR 95 2.222% * 0.8432% (0.18 0.02 0.70) = 0.843% HG3 LYS+ 110 - HA THR 95 2.222% * 0.8048% (0.18 0.02 0.19) = 0.805% HG12 ILE 68 - HA THR 95 2.222% * 0.7630% (0.17 0.02 0.02) = 0.763% QG2 VAL 80 - HA PRO 104 2.222% * 0.6476% (0.14 0.02 0.02) = 0.648% HG3 LYS+ 110 - HA PRO 104 2.222% * 0.6181% (0.14 0.02 0.02) = 0.618% QG2 VAL 80 - HA PRO 112 2.222% * 0.5541% (0.12 0.02 0.02) = 0.554% QG2 VAL 105 - HA THR 95 2.222% * 0.5503% (0.12 0.02 0.02) = 0.550% HG3 LYS+ 117 - HA THR 95 2.222% * 0.5503% (0.12 0.02 0.02) = 0.550% HG3 LYS+ 110 - HA PRO 112 2.222% * 0.5288% (0.12 0.02 0.02) = 0.529% QD1 LEU 17 - HA THR 95 2.222% * 0.5160% (0.11 0.02 1.09) = 0.516% HG12 ILE 68 - HA PRO 112 2.222% * 0.5013% (0.11 0.02 0.02) = 0.501% QG1 VAL 105 - HA THR 95 2.222% * 0.4816% (0.11 0.02 0.02) = 0.482% HG3 LYS+ 117 - HA PRO 104 2.222% * 0.4227% (0.09 0.02 0.02) = 0.423% QG1 VAL 47 - HA THR 95 2.222% * 0.4141% (0.09 0.02 0.02) = 0.414% QD1 LEU 17 - HA PRO 104 2.222% * 0.3963% (0.09 0.02 0.02) = 0.396% QD1 LEU 67 - HA PRO 104 2.222% * 0.3699% (0.08 0.02 0.02) = 0.370% QG2 VAL 105 - HA PRO 112 2.222% * 0.3616% (0.08 0.02 0.02) = 0.362% HG3 LYS+ 117 - HA PRO 112 2.222% * 0.3616% (0.08 0.02 0.02) = 0.362% QG2 VAL 87 - HA THR 95 2.222% * 0.3497% (0.08 0.02 0.02) = 0.350% QD1 LEU 17 - HA PRO 112 2.222% * 0.3391% (0.07 0.02 0.02) = 0.339% QG1 VAL 105 - HA PRO 112 2.222% * 0.3165% (0.07 0.02 0.02) = 0.316% QD1 LEU 67 - HA PRO 112 2.222% * 0.3165% (0.07 0.02 0.02) = 0.316% QG1 VAL 47 - HA PRO 112 2.222% * 0.2721% (0.06 0.02 0.02) = 0.272% QG2 VAL 40 - HA PRO 104 2.222% * 0.2686% (0.06 0.02 0.02) = 0.269% QG2 VAL 87 - HA PRO 104 2.222% * 0.2686% (0.06 0.02 0.02) = 0.269% QG2 VAL 40 - HA PRO 112 2.222% * 0.2298% (0.05 0.02 0.02) = 0.230% QG2 VAL 87 - HA PRO 112 2.222% * 0.2298% (0.05 0.02 0.02) = 0.230% QG2 VAL 62 - HA THR 95 2.222% * 0.2121% (0.05 0.02 0.02) = 0.212% QG2 VAL 62 - HA PRO 104 2.222% * 0.1629% (0.04 0.02 0.02) = 0.163% QG2 VAL 73 - HA THR 95 2.222% * 0.1490% (0.03 0.02 0.02) = 0.149% QG2 ILE 29 - HA THR 95 2.222% * 0.1313% (0.03 0.02 0.02) = 0.131% QG1 VAL 80 - HA THR 95 2.222% * 0.1313% (0.03 0.02 0.70) = 0.131% QG2 VAL 73 - HA PRO 104 2.222% * 0.1144% (0.03 0.02 0.02) = 0.114% QG2 ILE 29 - HA PRO 104 2.222% * 0.1008% (0.02 0.02 0.02) = 0.101% QG1 VAL 80 - HA PRO 104 2.222% * 0.1008% (0.02 0.02 0.02) = 0.101% QG1 VAL 80 - HA PRO 112 2.222% * 0.0863% (0.02 0.02 0.02) = 0.086% Peak 342 (0.82, 0.82, 21.38 ppm): 1 diagonal assignment: * QG1 VAL 94 - QG1 VAL 94 (0.75) kept Peak 362 (9.09, 4.19, 62.54 ppm): 10 chemical-shift based assignments, quality = 0.555, support = 3.3, residual support = 12.7: O HN LYS+ 66 - HA VAL 65 10.000% * 99.6285% (0.56 10.0 3.31 12.79) = 99.628% kept HN GLU- 54 - HA VAL 65 10.000% * 0.0832% (0.47 1.0 0.02 0.02) = 0.083% HN LYS+ 66 - HA VAL 105 10.000% * 0.0697% (0.39 1.0 0.02 0.02) = 0.070% HN GLU- 54 - HA VAL 105 10.000% * 0.0582% (0.33 1.0 0.02 0.02) = 0.058% HN LYS+ 66 - HB3 SER 49 10.000% * 0.0510% (0.28 1.0 0.02 0.02) = 0.051% HN GLU- 54 - HB3 SER 49 10.000% * 0.0426% (0.24 1.0 0.02 0.02) = 0.043% HN LYS+ 66 - HA VAL 73 10.000% * 0.0290% (0.16 1.0 0.02 0.02) = 0.029% HN GLU- 54 - HA VAL 73 10.000% * 0.0242% (0.14 1.0 0.02 0.02) = 0.024% HN LYS+ 66 - HA VAL 87 10.000% * 0.0074% (0.04 1.0 0.02 0.02) = 0.007% HN GLU- 54 - HA VAL 87 10.000% * 0.0062% (0.03 1.0 0.02 0.02) = 0.006% Peak 363 (8.44, 4.01, 62.59 ppm): 6 chemical-shift based assignments, quality = 0.508, support = 0.135, residual support = 0.02: HN LEU 74 - HA VAL 13 16.667% * 45.3803% (0.76 0.11 0.02) = 45.380% kept HN LYS+ 117 - HA VAL 13 16.667% * 27.1539% (0.21 0.25 0.02) = 27.154% kept HN GLY 92 - HA VAL 13 16.667% * 11.4875% (0.18 0.12 0.02) = 11.487% kept HN ARG+ 53 - HA VAL 13 16.667% * 6.3605% (0.60 0.02 0.02) = 6.360% kept HN CYS 123 - HA VAL 13 16.667% * 6.0168% (0.57 0.02 0.02) = 6.017% kept HN GLU- 107 - HA VAL 13 16.667% * 3.6010% (0.34 0.02 0.02) = 3.601% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 364 (8.34, 4.06, 62.55 ppm): 14 chemical-shift based assignments, quality = 0.305, support = 2.72, residual support = 15.1: HN GLU- 50 - HB2 SER 49 7.143% * 59.0187% (0.40 3.16 17.78) = 59.019% kept * HN GLU- 50 - HB3 SER 49 7.143% * 25.8481% (0.18 3.16 17.78) = 25.848% kept HN ALA 103 - HB3 SER 49 7.143% * 4.1856% (0.18 0.51 0.02) = 4.186% kept HN GLY 71 - HB2 SER 49 7.143% * 3.0495% (0.14 0.46 0.02) = 3.049% kept HN LYS+ 108 - HB2 SER 49 7.143% * 2.2348% (0.28 0.17 0.02) = 2.235% kept HN GLY 114 - HB2 SER 49 7.143% * 2.2072% (0.19 0.25 0.52) = 2.207% kept HN LYS+ 108 - HB3 SER 49 7.143% * 0.9788% (0.12 0.17 0.02) = 0.979% HN GLY 114 - HB3 SER 49 7.143% * 0.9667% (0.08 0.25 0.52) = 0.967% HN GLU- 109 - HB2 SER 49 7.143% * 0.3980% (0.43 0.02 0.02) = 0.398% HN ALA 103 - HB2 SER 49 7.143% * 0.3740% (0.40 0.02 0.02) = 0.374% HN ASN 76 - HB3 SER 49 7.143% * 0.3729% (0.06 0.13 0.02) = 0.373% HN GLU- 109 - HB3 SER 49 7.143% * 0.1743% (0.19 0.02 0.02) = 0.174% HN ASN 76 - HB2 SER 49 7.143% * 0.1331% (0.14 0.02 0.02) = 0.133% HN GLY 71 - HB3 SER 49 7.143% * 0.0583% (0.06 0.02 0.02) = 0.058% Peak 365 (8.27, 4.13, 62.46 ppm): 15 chemical-shift based assignments, quality = 0.0826, support = 2.22, residual support = 3.32: O HN THR 106 - HA VAL 105 6.667% * 82.0033% (0.07 10.0 2.62 4.01) = 82.003% kept HN THR 106 - HB3 SER 49 6.667% * 6.2049% (0.16 1.0 0.71 0.45) = 6.205% kept HN ALA 91 - HA LYS+ 110 6.667% * 5.0576% (0.17 1.0 0.52 0.13) = 5.058% kept HN ASP- 115 - HB3 SER 49 6.667% * 2.3688% (0.18 1.0 0.23 0.02) = 2.369% kept HN ASN 89 - HA LYS+ 110 6.667% * 0.9330% (0.83 1.0 0.02 0.02) = 0.933% HN ASP- 28 - HA VAL 105 6.667% * 0.8794% (0.09 1.0 0.17 0.02) = 0.879% HN ASP- 28 - HA LYS+ 110 6.667% * 0.5983% (0.53 1.0 0.02 0.02) = 0.598% HN ASP- 115 - HA LYS+ 110 6.667% * 0.5584% (0.50 1.0 0.02 0.02) = 0.558% HN THR 106 - HA LYS+ 110 6.667% * 0.4801% (0.43 1.0 0.02 0.02) = 0.480% HN ASN 89 - HB3 SER 49 6.667% * 0.3394% (0.30 1.0 0.02 0.02) = 0.339% HN ASP- 28 - HB3 SER 49 6.667% * 0.2176% (0.19 1.0 0.02 0.02) = 0.218% HN ASN 89 - HA VAL 105 6.667% * 0.1594% (0.14 1.0 0.02 0.02) = 0.159% HN ASP- 115 - HA VAL 105 6.667% * 0.0954% (0.08 1.0 0.02 0.02) = 0.095% HN ALA 91 - HB3 SER 49 6.667% * 0.0710% (0.06 1.0 0.02 0.02) = 0.071% HN ALA 91 - HA VAL 105 6.667% * 0.0333% (0.03 1.0 0.02 0.02) = 0.033% Not enough quality. Peak unassigned. Peak 366 (8.07, 4.01, 62.55 ppm): 6 chemical-shift based assignments, quality = 0.657, support = 1.24, residual support = 1.6: HN LYS+ 110 - HA VAL 13 16.667% * 31.1808% (0.61 1.86 4.14) = 31.181% kept HN MET 118 - HA VAL 13 16.667% * 21.2552% (0.77 1.00 0.44) = 21.255% kept HN GLU- 75 - HA VAL 13 16.667% * 20.3393% (0.67 1.10 0.56) = 20.339% kept * HN ASN 15 - HA VAL 13 16.667% * 16.6327% (0.64 0.94 0.52) = 16.633% kept HN CYS 121 - HA VAL 13 16.667% * 10.2521% (0.61 0.61 0.14) = 10.252% kept HN VAL 122 - HA VAL 13 16.667% * 0.3399% (0.15 0.08 0.02) = 0.340% Peak 367 (7.80, 4.16, 62.61 ppm): 24 chemical-shift based assignments, quality = 0.354, support = 3.4, residual support = 16.1: * O HN VAL 87 - HA VAL 87 4.167% * 76.4656% (0.29 10.0 4.21 20.87) = 76.466% kept HN THR 46 - HA VAL 105 4.167% * 9.7589% (0.81 1.0 0.91 0.88) = 9.759% kept HN THR 46 - HB3 SER 49 4.167% * 5.9781% (0.46 1.0 0.99 0.02) = 5.978% kept HN ALA 93 - HB3 SER 49 4.167% * 4.2326% (0.51 1.0 0.63 0.28) = 4.233% kept HN THR 46 - HA VAL 87 4.167% * 1.6032% (0.28 1.0 0.44 0.02) = 1.603% kept HN ALA 93 - HA VAL 105 4.167% * 0.2362% (0.90 1.0 0.02 0.02) = 0.236% HN VAL 87 - HA VAL 105 4.167% * 0.2220% (0.84 1.0 0.02 0.02) = 0.222% HN LYS+ 55 - HA VAL 105 4.167% * 0.1552% (0.59 1.0 0.02 0.02) = 0.155% HN VAL 87 - HB3 SER 49 4.167% * 0.1259% (0.48 1.0 0.02 0.02) = 0.126% HN ALA 93 - HA VAL 65 4.167% * 0.1242% (0.47 1.0 0.02 0.02) = 0.124% HN VAL 87 - HA VAL 65 4.167% * 0.1167% (0.44 1.0 0.02 0.02) = 0.117% HN THR 46 - HA VAL 65 4.167% * 0.1124% (0.43 1.0 0.02 0.02) = 0.112% HN ALA 93 - HA LYS+ 110 4.167% * 0.1038% (0.39 1.0 0.02 0.02) = 0.104% HN VAL 87 - HA LYS+ 110 4.167% * 0.0976% (0.37 1.0 0.02 0.02) = 0.098% HN THR 46 - HA LYS+ 110 4.167% * 0.0939% (0.36 1.0 0.02 0.02) = 0.094% HN LYS+ 55 - HB3 SER 49 4.167% * 0.0880% (0.33 1.0 0.02 0.02) = 0.088% HN LYS+ 55 - HA VAL 65 4.167% * 0.0816% (0.31 1.0 0.02 0.02) = 0.082% HN ALA 93 - HA VAL 87 4.167% * 0.0814% (0.31 1.0 0.02 0.02) = 0.081% HN LYS+ 55 - HA LYS+ 110 4.167% * 0.0682% (0.26 1.0 0.02 0.02) = 0.068% HN ALA 93 - HA VAL 73 4.167% * 0.0574% (0.22 1.0 0.02 0.02) = 0.057% HN VAL 87 - HA VAL 73 4.167% * 0.0539% (0.20 1.0 0.02 0.02) = 0.054% HN LYS+ 55 - HA VAL 87 4.167% * 0.0535% (0.20 1.0 0.02 0.02) = 0.053% HN THR 46 - HA VAL 73 4.167% * 0.0519% (0.20 1.0 0.02 0.02) = 0.052% HN LYS+ 55 - HA VAL 73 4.167% * 0.0377% (0.14 1.0 0.02 0.02) = 0.038% Peak 368 (7.58, 0.70, 21.22 ppm): 10 chemical-shift based assignments, quality = 0.681, support = 4.66, residual support = 28.1: * HN VAL 65 - QG1 VAL 65 10.000% * 94.9889% (0.71 4.89 29.62) = 94.989% kept HN VAL 65 - QG2 THR 96 10.000% * 3.0550% (0.29 0.38 0.02) = 3.055% kept HN LYS+ 78 - QG1 VAL 65 10.000% * 0.4937% (0.90 0.02 0.02) = 0.494% HD21 ASN 15 - QG1 VAL 65 10.000% * 0.4283% (0.78 0.02 0.02) = 0.428% HD22 ASN 119 - QG1 VAL 65 10.000% * 0.3884% (0.71 0.02 0.02) = 0.388% HN LYS+ 78 - QG2 THR 96 10.000% * 0.2047% (0.37 0.02 0.02) = 0.205% HD21 ASN 15 - QG2 THR 96 10.000% * 0.1776% (0.32 0.02 0.02) = 0.178% HD22 ASN 119 - QG2 THR 96 10.000% * 0.1610% (0.29 0.02 0.02) = 0.161% HN ASP- 25 - QG1 VAL 65 10.000% * 0.0724% (0.13 0.02 0.02) = 0.072% HN ASP- 25 - QG2 THR 96 10.000% * 0.0300% (0.05 0.02 0.02) = 0.030% Peak 372 (4.33, 0.92, 21.14 ppm): 6 chemical-shift based assignments, quality = 0.103, support = 0.474, residual support = 0.302: T HA ILE 29 - QG2 VAL 105 16.667% * 78.5155% (0.05 10.00 0.60 0.38) = 78.516% kept T HA ILE 29 - HG3 LYS+ 110 16.667% * 15.7329% (0.29 10.00 0.02 0.02) = 15.733% kept HA ALA 93 - HG3 LYS+ 110 16.667% * 2.4812% (0.46 1.00 0.02 0.02) = 2.481% kept HA ALA 93 - QG2 VAL 87 16.667% * 1.7478% (0.32 1.00 0.02 0.02) = 1.748% kept HA ILE 29 - QG2 VAL 87 16.667% * 1.1083% (0.20 1.00 0.02 0.02) = 1.108% kept HA ALA 93 - QG2 VAL 105 16.667% * 0.4143% (0.08 1.00 0.02 0.02) = 0.414% Not enough quality. Peak unassigned. Peak 374 (4.17, 4.16, 62.60 ppm): 5 diagonal assignments: * HA VAL 105 - HA VAL 105 (0.92) kept HB3 SER 49 - HB3 SER 49 (0.50) kept HA VAL 65 - HA VAL 65 (0.42) kept HA VAL 73 - HA VAL 73 (0.20) kept HA VAL 87 - HA VAL 87 (0.16) kept Peak 377 (4.01, 4.00, 62.58 ppm): 1 diagonal assignment: * HA VAL 13 - HA VAL 13 (0.74) kept Peak 379 (4.01, 0.82, 21.27 ppm): 8 chemical-shift based assignments, quality = 0.223, support = 2.14, residual support = 13.0: * O T HA VAL 13 - QG2 VAL 13 12.500% * 73.2585% (0.17 10.0 10.00 1.93 10.25) = 73.258% kept HB THR 95 - QG1 VAL 94 12.500% * 24.4075% (0.38 1.0 1.00 2.97 22.36) = 24.408% kept T HA VAL 13 - QG1 VAL 94 12.500% * 1.9416% (0.44 1.0 10.00 0.02 0.02) = 1.942% kept HA THR 38 - QG1 VAL 94 12.500% * 0.1942% (0.44 1.0 1.00 0.02 0.02) = 0.194% HA THR 38 - QG2 VAL 13 12.500% * 0.0733% (0.17 1.0 1.00 0.02 0.02) = 0.073% HB THR 95 - QG2 VAL 13 12.500% * 0.0620% (0.14 1.0 1.00 0.02 0.02) = 0.062% HA1 GLY 92 - QG1 VAL 94 12.500% * 0.0457% (0.10 1.0 1.00 0.02 0.02) = 0.046% HA1 GLY 92 - QG2 VAL 13 12.500% * 0.0172% (0.04 1.0 1.00 0.02 0.02) = 0.017% Peak 386 (3.45, 0.70, 21.19 ppm): 12 chemical-shift based assignments, quality = 0.435, support = 1.38, residual support = 0.99: T HA ILE 48 - QG1 VAL 65 8.333% * 78.2085% (0.45 10.00 1.67 1.26) = 78.209% kept T HA VAL 40 - QG2 THR 96 8.333% * 9.1533% (0.32 10.00 0.27 0.02) = 9.153% kept HA VAL 62 - QG1 VAL 65 8.333% * 5.0210% (0.80 1.00 0.60 0.02) = 5.021% kept T HA ILE 48 - QG2 THR 96 8.333% * 4.7119% (0.15 10.00 0.31 0.02) = 4.712% kept T HA1 GLY 71 - QG1 VAL 65 8.333% * 1.2649% (0.61 10.00 0.02 0.02) = 1.265% kept T HA VAL 62 - QG2 THR 96 8.333% * 0.5416% (0.26 10.00 0.02 0.02) = 0.542% T HA1 GLY 71 - QG2 THR 96 8.333% * 0.4103% (0.20 10.00 0.02 0.02) = 0.410% HA VAL 40 - QG1 VAL 65 8.333% * 0.2067% (0.99 1.00 0.02 0.02) = 0.207% HA VAL 80 - QG1 VAL 65 8.333% * 0.2044% (0.98 1.00 0.02 0.02) = 0.204% HD3 PRO 31 - QG1 VAL 65 8.333% * 0.1594% (0.76 1.00 0.02 0.02) = 0.159% HA VAL 80 - QG2 THR 96 8.333% * 0.0663% (0.32 1.00 0.02 0.02) = 0.066% HD3 PRO 31 - QG2 THR 96 8.333% * 0.0517% (0.25 1.00 0.02 0.02) = 0.052% Peak 389 (2.13, 4.15, 62.59 ppm): 60 chemical-shift based assignments, quality = 0.558, support = 1.8, residual support = 6.83: * O HB VAL 105 - HA VAL 105 1.667% * 40.2401% (0.81 10.0 1.00 1.50 5.92) = 40.240% kept T HG2 GLU- 45 - HB3 SER 49 1.667% * 34.9871% (0.53 1.0 10.00 2.46 4.72) = 34.987% kept O T HB VAL 87 - HA VAL 87 1.667% * 13.4035% (0.20 10.0 10.00 2.21 20.87) = 13.404% kept T HB3 GLU- 75 - HB3 SER 49 1.667% * 3.8410% (0.44 1.0 10.00 0.26 0.02) = 3.841% kept T HB3 GLU- 75 - HA VAL 73 1.667% * 3.3672% (0.13 1.0 10.00 0.76 0.02) = 3.367% kept T HB3 GLU- 75 - HA VAL 65 1.667% * 0.7809% (0.30 1.0 10.00 0.08 0.02) = 0.781% T HB3 GLU- 75 - HA VAL 105 1.667% * 0.4971% (0.75 1.0 10.00 0.02 0.02) = 0.497% T HB VAL 87 - HA VAL 105 1.667% * 0.3870% (0.58 1.0 10.00 0.02 0.02) = 0.387% T HB3 GLU- 75 - HA LYS+ 110 1.667% * 0.3188% (0.48 1.0 10.00 0.02 0.02) = 0.319% T HB VAL 87 - HA LYS+ 110 1.667% * 0.2482% (0.37 1.0 10.00 0.02 0.02) = 0.248% T HB2 GLU- 56 - HB3 SER 49 1.667% * 0.2425% (0.37 1.0 10.00 0.02 0.02) = 0.242% T HB VAL 87 - HB3 SER 49 1.667% * 0.2284% (0.34 1.0 10.00 0.02 0.02) = 0.228% T HB3 GLU- 75 - HA VAL 87 1.667% * 0.1722% (0.26 1.0 10.00 0.02 0.02) = 0.172% T HB VAL 87 - HA VAL 65 1.667% * 0.1563% (0.24 1.0 10.00 0.02 0.02) = 0.156% T HB VAL 47 - HB3 SER 49 1.667% * 0.1204% (0.18 1.0 10.00 0.02 0.02) = 0.120% T HB VAL 87 - HA VAL 73 1.667% * 0.0687% (0.10 1.0 10.00 0.02 0.02) = 0.069% HG2 GLU- 45 - HA VAL 105 1.667% * 0.0593% (0.89 1.0 1.00 0.02 0.32) = 0.059% HB2 ASP- 28 - HA VAL 105 1.667% * 0.0552% (0.83 1.0 1.00 0.02 0.02) = 0.055% HG2 PRO 112 - HA VAL 105 1.667% * 0.0539% (0.81 1.0 1.00 0.02 0.02) = 0.054% HB2 GLU- 56 - HA VAL 105 1.667% * 0.0411% (0.62 1.0 1.00 0.02 0.02) = 0.041% HG2 GLU- 45 - HA LYS+ 110 1.667% * 0.0380% (0.57 1.0 1.00 0.02 0.11) = 0.038% HB2 ASP- 28 - HA LYS+ 110 1.667% * 0.0354% (0.53 1.0 1.00 0.02 0.02) = 0.035% HG2 PRO 112 - HA LYS+ 110 1.667% * 0.0346% (0.52 1.0 1.00 0.02 0.02) = 0.035% HB VAL 105 - HA LYS+ 110 1.667% * 0.0344% (0.52 1.0 1.00 0.02 0.02) = 0.034% HB2 ASP- 28 - HB3 SER 49 1.667% * 0.0326% (0.49 1.0 1.00 0.02 0.02) = 0.033% HG2 PRO 112 - HB3 SER 49 1.667% * 0.0318% (0.48 1.0 1.00 0.02 0.02) = 0.032% HB VAL 105 - HB3 SER 49 1.667% * 0.0317% (0.48 1.0 1.00 0.02 0.02) = 0.032% HB3 LYS+ 78 - HA VAL 105 1.667% * 0.0291% (0.44 1.0 1.00 0.02 0.02) = 0.029% HB2 GLU- 56 - HA LYS+ 110 1.667% * 0.0264% (0.40 1.0 1.00 0.02 0.02) = 0.026% HB3 LEU 43 - HA VAL 105 1.667% * 0.0246% (0.37 1.0 1.00 0.02 0.02) = 0.025% HG2 GLU- 45 - HA VAL 65 1.667% * 0.0240% (0.36 1.0 1.00 0.02 0.02) = 0.024% HB2 ASP- 28 - HA VAL 65 1.667% * 0.0223% (0.34 1.0 1.00 0.02 0.02) = 0.022% HG2 PRO 112 - HA VAL 65 1.667% * 0.0218% (0.33 1.0 1.00 0.02 0.02) = 0.022% HB VAL 105 - HA VAL 65 1.667% * 0.0217% (0.33 1.0 1.00 0.02 0.02) = 0.022% HG2 GLU- 45 - HA VAL 87 1.667% * 0.0205% (0.31 1.0 1.00 0.02 1.57) = 0.021% HB VAL 47 - HA VAL 105 1.667% * 0.0204% (0.31 1.0 1.00 0.02 0.02) = 0.020% HB2 ASP- 28 - HA VAL 87 1.667% * 0.0191% (0.29 1.0 1.00 0.02 0.02) = 0.019% HB3 LYS+ 78 - HA LYS+ 110 1.667% * 0.0187% (0.28 1.0 1.00 0.02 0.02) = 0.019% HG2 PRO 112 - HA VAL 87 1.667% * 0.0187% (0.28 1.0 1.00 0.02 0.02) = 0.019% HB VAL 105 - HA VAL 87 1.667% * 0.0186% (0.28 1.0 1.00 0.02 0.02) = 0.019% HB3 LYS+ 78 - HB3 SER 49 1.667% * 0.0172% (0.26 1.0 1.00 0.02 0.02) = 0.017% HB2 GLU- 56 - HA VAL 65 1.667% * 0.0166% (0.25 1.0 1.00 0.02 0.02) = 0.017% HB3 LEU 43 - HA LYS+ 110 1.667% * 0.0158% (0.24 1.0 1.00 0.02 0.11) = 0.016% HB3 LEU 43 - HB3 SER 49 1.667% * 0.0145% (0.22 1.0 1.00 0.02 0.02) = 0.015% HB2 GLU- 56 - HA VAL 87 1.667% * 0.0142% (0.21 1.0 1.00 0.02 0.02) = 0.014% HB VAL 47 - HA LYS+ 110 1.667% * 0.0131% (0.20 1.0 1.00 0.02 0.02) = 0.013% HB3 LYS+ 78 - HA VAL 65 1.667% * 0.0118% (0.18 1.0 1.00 0.02 0.02) = 0.012% HG2 GLU- 45 - HA VAL 73 1.667% * 0.0105% (0.16 1.0 1.00 0.02 1.63) = 0.011% HB3 LYS+ 78 - HA VAL 87 1.667% * 0.0101% (0.15 1.0 1.00 0.02 0.02) = 0.010% HB3 LEU 43 - HA VAL 65 1.667% * 0.0099% (0.15 1.0 1.00 0.02 0.02) = 0.010% HB2 ASP- 28 - HA VAL 73 1.667% * 0.0098% (0.15 1.0 1.00 0.02 0.02) = 0.010% HG2 PRO 112 - HA VAL 73 1.667% * 0.0096% (0.14 1.0 1.00 0.02 0.41) = 0.010% HB VAL 105 - HA VAL 73 1.667% * 0.0095% (0.14 1.0 1.00 0.02 0.02) = 0.010% HB3 LEU 43 - HA VAL 87 1.667% * 0.0085% (0.13 1.0 1.00 0.02 0.02) = 0.009% HB VAL 47 - HA VAL 65 1.667% * 0.0082% (0.12 1.0 1.00 0.02 0.02) = 0.008% HB2 GLU- 56 - HA VAL 73 1.667% * 0.0073% (0.11 1.0 1.00 0.02 0.02) = 0.007% HB VAL 47 - HA VAL 87 1.667% * 0.0071% (0.11 1.0 1.00 0.02 0.02) = 0.007% HB3 LYS+ 78 - HA VAL 73 1.667% * 0.0052% (0.08 1.0 1.00 0.02 0.02) = 0.005% HB3 LEU 43 - HA VAL 73 1.667% * 0.0044% (0.07 1.0 1.00 0.02 0.02) = 0.004% HB VAL 47 - HA VAL 73 1.667% * 0.0036% (0.05 1.0 1.00 0.02 0.02) = 0.004% Peak 390 (2.04, 4.13, 62.49 ppm): 42 chemical-shift based assignments, quality = 0.634, support = 1.72, residual support = 11.3: * O T HB3 LYS+ 110 - HA LYS+ 110 2.381% * 64.0672% (0.82 10.0 10.00 2.00 15.91) = 64.067% kept T HB2 GLU- 45 - HB3 SER 49 2.381% * 22.8274% (0.35 1.0 10.00 1.66 4.72) = 22.827% kept T HB3 LYS+ 110 - HB3 SER 49 2.381% * 4.8626% (0.31 1.0 10.00 0.41 0.02) = 4.863% kept T HB3 GLU- 64 - HB3 SER 49 2.381% * 3.9368% (0.14 1.0 10.00 0.74 0.80) = 3.937% kept T HB3 GLU- 75 - HB3 SER 49 2.381% * 2.5533% (0.25 1.0 10.00 0.26 0.02) = 2.553% kept T HB3 GLU- 75 - HA LYS+ 110 2.381% * 0.5256% (0.67 1.0 10.00 0.02 0.02) = 0.526% T HG3 GLU- 64 - HB3 SER 49 2.381% * 0.1497% (0.19 1.0 10.00 0.02 0.80) = 0.150% T HB3 GLU- 75 - HA VAL 105 2.381% * 0.1441% (0.18 1.0 10.00 0.02 0.02) = 0.144% T HB3 GLU- 54 - HB3 SER 49 2.381% * 0.1385% (0.18 1.0 10.00 0.02 0.02) = 0.139% T HB3 GLU- 10 - HB3 SER 49 2.381% * 0.1068% (0.14 1.0 10.00 0.02 0.02) = 0.107% HG3 PRO 86 - HA LYS+ 110 2.381% * 0.0765% (0.98 1.0 1.00 0.02 0.02) = 0.077% HB2 GLU- 45 - HA LYS+ 110 2.381% * 0.0740% (0.95 1.0 1.00 0.02 0.11) = 0.074% HG2 PRO 112 - HA LYS+ 110 2.381% * 0.0519% (0.67 1.0 1.00 0.02 0.02) = 0.052% T HB3 GLU- 107 - HB3 SER 49 2.381% * 0.0498% (0.06 1.0 10.00 0.02 0.02) = 0.050% HG3 GLU- 64 - HA LYS+ 110 2.381% * 0.0404% (0.52 1.0 1.00 0.02 0.02) = 0.040% HB3 GLU- 54 - HA LYS+ 110 2.381% * 0.0373% (0.48 1.0 1.00 0.02 0.02) = 0.037% HB3 GLU- 64 - HA LYS+ 110 2.381% * 0.0288% (0.37 1.0 1.00 0.02 0.02) = 0.029% HB3 GLU- 10 - HA LYS+ 110 2.381% * 0.0288% (0.37 1.0 1.00 0.02 0.02) = 0.029% HG3 PRO 86 - HB3 SER 49 2.381% * 0.0284% (0.36 1.0 1.00 0.02 0.02) = 0.028% HB3 PRO 31 - HA LYS+ 110 2.381% * 0.0237% (0.30 1.0 1.00 0.02 0.02) = 0.024% HB VAL 62 - HA LYS+ 110 2.381% * 0.0237% (0.30 1.0 1.00 0.02 0.02) = 0.024% HG3 PRO 86 - HA VAL 105 2.381% * 0.0210% (0.27 1.0 1.00 0.02 0.02) = 0.021% HB2 GLU- 45 - HA VAL 105 2.381% * 0.0203% (0.26 1.0 1.00 0.02 0.32) = 0.020% HG2 PRO 112 - HB3 SER 49 2.381% * 0.0192% (0.25 1.0 1.00 0.02 0.02) = 0.019% HB3 LYS+ 110 - HA VAL 105 2.381% * 0.0176% (0.23 1.0 1.00 0.02 0.02) = 0.018% HB ILE 101 - HA LYS+ 110 2.381% * 0.0171% (0.22 1.0 1.00 0.02 0.77) = 0.017% HG2 PRO 112 - HA VAL 105 2.381% * 0.0142% (0.18 1.0 1.00 0.02 0.02) = 0.014% HB3 GLU- 107 - HA LYS+ 110 2.381% * 0.0134% (0.17 1.0 1.00 0.02 0.02) = 0.013% HG2 PRO 116 - HA LYS+ 110 2.381% * 0.0118% (0.15 1.0 1.00 0.02 0.02) = 0.012% HG3 GLU- 64 - HA VAL 105 2.381% * 0.0111% (0.14 1.0 1.00 0.02 0.02) = 0.011% HB3 GLU- 54 - HA VAL 105 2.381% * 0.0102% (0.13 1.0 1.00 0.02 0.02) = 0.010% HB3 PRO 31 - HB3 SER 49 2.381% * 0.0088% (0.11 1.0 1.00 0.02 0.02) = 0.009% HB VAL 62 - HB3 SER 49 2.381% * 0.0088% (0.11 1.0 1.00 0.02 0.02) = 0.009% HB3 GLU- 10 - HA VAL 105 2.381% * 0.0079% (0.10 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 64 - HA VAL 105 2.381% * 0.0079% (0.10 1.0 1.00 0.02 0.02) = 0.008% HB3 PRO 31 - HA VAL 105 2.381% * 0.0065% (0.08 1.0 1.00 0.02 0.02) = 0.006% HB VAL 62 - HA VAL 105 2.381% * 0.0065% (0.08 1.0 1.00 0.02 0.02) = 0.006% HB ILE 101 - HB3 SER 49 2.381% * 0.0063% (0.08 1.0 1.00 0.02 2.53) = 0.006% HB ILE 101 - HA VAL 105 2.381% * 0.0047% (0.06 1.0 1.00 0.02 0.02) = 0.005% HG2 PRO 116 - HB3 SER 49 2.381% * 0.0044% (0.06 1.0 1.00 0.02 0.02) = 0.004% HB3 GLU- 107 - HA VAL 105 2.381% * 0.0037% (0.05 1.0 1.00 0.02 0.11) = 0.004% HG2 PRO 116 - HA VAL 105 2.381% * 0.0032% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 391 (2.05, 0.91, 21.27 ppm): 56 chemical-shift based assignments, quality = 0.605, support = 2.1, residual support = 17.3: T HG3 PRO 86 - QG2 VAL 87 1.786% * 54.2044% (0.72 1.0 10.00 2.46 20.31) = 54.204% kept * O T HB3 LYS+ 110 - HG3 LYS+ 110 1.786% * 39.3380% (0.52 10.0 10.00 1.93 15.91) = 39.338% kept T HG3 PRO 86 - HG3 LYS+ 110 1.786% * 1.8719% (0.65 1.0 10.00 0.08 0.02) = 1.872% kept T HB3 GLU- 75 - QG2 VAL 80 1.786% * 0.6220% (0.19 1.0 10.00 0.09 0.02) = 0.622% T HB3 LYS+ 110 - QG2 VAL 87 1.786% * 0.4340% (0.57 1.0 10.00 0.02 0.02) = 0.434% T HB3 GLU- 75 - QG2 VAL 87 1.786% * 0.3770% (0.50 1.0 10.00 0.02 0.02) = 0.377% T HG2 PRO 112 - QG2 VAL 87 1.786% * 0.3682% (0.49 1.0 10.00 0.02 0.02) = 0.368% T HB3 GLU- 75 - HG3 LYS+ 110 1.786% * 0.3417% (0.45 1.0 10.00 0.02 0.02) = 0.342% T HG2 PRO 112 - HG3 LYS+ 110 1.786% * 0.3337% (0.44 1.0 10.00 0.02 0.02) = 0.334% T HG3 PRO 86 - QG2 VAL 105 1.786% * 0.2307% (0.30 1.0 10.00 0.02 0.02) = 0.231% T HG3 PRO 86 - QG2 VAL 80 1.786% * 0.2036% (0.27 1.0 10.00 0.02 0.02) = 0.204% T HB3 LYS+ 110 - QG2 VAL 105 1.786% * 0.1847% (0.24 1.0 10.00 0.02 0.02) = 0.185% T HB3 LYS+ 110 - QG2 VAL 80 1.786% * 0.1630% (0.22 1.0 10.00 0.02 0.02) = 0.163% T HB3 GLU- 75 - QG2 VAL 105 1.786% * 0.1605% (0.21 1.0 10.00 0.02 0.02) = 0.160% T HG2 PRO 112 - QG2 VAL 105 1.786% * 0.1567% (0.21 1.0 10.00 0.02 0.02) = 0.157% T HG2 PRO 112 - QG2 VAL 80 1.786% * 0.1383% (0.18 1.0 10.00 0.02 0.02) = 0.138% T HB3 GLU- 64 - QG2 VAL 105 1.786% * 0.0787% (0.10 1.0 10.00 0.02 0.02) = 0.079% T HB VAL 62 - QG2 VAL 105 1.786% * 0.0787% (0.10 1.0 10.00 0.02 0.02) = 0.079% T HG2 PRO 116 - QG2 VAL 87 1.786% * 0.0734% (0.10 1.0 10.00 0.02 0.02) = 0.073% T HG2 PRO 116 - HG3 LYS+ 110 1.786% * 0.0665% (0.09 1.0 10.00 0.02 0.02) = 0.066% HB2 GLU- 45 - QG2 VAL 87 1.786% * 0.0531% (0.70 1.0 1.00 0.02 1.57) = 0.053% HB2 GLU- 45 - HG3 LYS+ 110 1.786% * 0.0482% (0.64 1.0 1.00 0.02 0.11) = 0.048% T HG2 PRO 116 - QG2 VAL 105 1.786% * 0.0312% (0.04 1.0 10.00 0.02 0.02) = 0.031% T HG2 PRO 116 - QG2 VAL 80 1.786% * 0.0275% (0.04 1.0 10.00 0.02 0.02) = 0.028% HG3 GLU- 64 - QG2 VAL 87 1.786% * 0.0264% (0.35 1.0 1.00 0.02 0.02) = 0.026% HB3 GLU- 54 - QG2 VAL 87 1.786% * 0.0243% (0.32 1.0 1.00 0.02 0.02) = 0.024% HG3 GLU- 64 - HG3 LYS+ 110 1.786% * 0.0239% (0.32 1.0 1.00 0.02 0.02) = 0.024% HB2 GLU- 45 - QG2 VAL 105 1.786% * 0.0226% (0.30 1.0 1.00 0.02 0.32) = 0.023% HB3 GLU- 54 - HG3 LYS+ 110 1.786% * 0.0220% (0.29 1.0 1.00 0.02 0.02) = 0.022% HB2 GLU- 45 - QG2 VAL 80 1.786% * 0.0200% (0.26 1.0 1.00 0.02 0.02) = 0.020% HB3 GLU- 10 - QG2 VAL 87 1.786% * 0.0185% (0.24 1.0 1.00 0.02 0.02) = 0.018% HB3 GLU- 64 - QG2 VAL 87 1.786% * 0.0185% (0.24 1.0 1.00 0.02 0.02) = 0.018% HB VAL 62 - QG2 VAL 87 1.786% * 0.0185% (0.24 1.0 1.00 0.02 0.02) = 0.018% HB3 GLU- 10 - HG3 LYS+ 110 1.786% * 0.0168% (0.22 1.0 1.00 0.02 0.02) = 0.017% HB3 GLU- 64 - HG3 LYS+ 110 1.786% * 0.0168% (0.22 1.0 1.00 0.02 0.02) = 0.017% HB VAL 62 - HG3 LYS+ 110 1.786% * 0.0168% (0.22 1.0 1.00 0.02 0.02) = 0.017% HB3 PRO 31 - QG2 VAL 87 1.786% * 0.0151% (0.20 1.0 1.00 0.02 0.02) = 0.015% HB3 PRO 31 - HG3 LYS+ 110 1.786% * 0.0137% (0.18 1.0 1.00 0.02 0.02) = 0.014% HB ILE 101 - QG2 VAL 87 1.786% * 0.0135% (0.18 1.0 1.00 0.02 0.02) = 0.014% HB ILE 101 - HG3 LYS+ 110 1.786% * 0.0122% (0.16 1.0 1.00 0.02 0.77) = 0.012% HG3 GLU- 64 - QG2 VAL 105 1.786% * 0.0112% (0.15 1.0 1.00 0.02 0.02) = 0.011% HB3 GLU- 54 - QG2 VAL 105 1.786% * 0.0103% (0.14 1.0 1.00 0.02 0.02) = 0.010% HG3 GLU- 64 - QG2 VAL 80 1.786% * 0.0099% (0.13 1.0 1.00 0.02 0.02) = 0.010% HB3 GLU- 54 - QG2 VAL 80 1.786% * 0.0091% (0.12 1.0 1.00 0.02 0.02) = 0.009% HB3 GLU- 107 - QG2 VAL 87 1.786% * 0.0084% (0.11 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 10 - QG2 VAL 105 1.786% * 0.0079% (0.10 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 107 - HG3 LYS+ 110 1.786% * 0.0076% (0.10 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 64 - QG2 VAL 80 1.786% * 0.0069% (0.09 1.0 1.00 0.02 0.02) = 0.007% HB3 GLU- 10 - QG2 VAL 80 1.786% * 0.0069% (0.09 1.0 1.00 0.02 0.02) = 0.007% HB VAL 62 - QG2 VAL 80 1.786% * 0.0069% (0.09 1.0 1.00 0.02 0.90) = 0.007% HB3 PRO 31 - QG2 VAL 105 1.786% * 0.0064% (0.08 1.0 1.00 0.02 0.02) = 0.006% HB ILE 101 - QG2 VAL 105 1.786% * 0.0058% (0.08 1.0 1.00 0.02 0.02) = 0.006% HB3 PRO 31 - QG2 VAL 80 1.786% * 0.0057% (0.07 1.0 1.00 0.02 0.02) = 0.006% HB ILE 101 - QG2 VAL 80 1.786% * 0.0051% (0.07 1.0 1.00 0.02 0.02) = 0.005% HB3 GLU- 107 - QG2 VAL 105 1.786% * 0.0036% (0.05 1.0 1.00 0.02 0.11) = 0.004% HB3 GLU- 107 - QG2 VAL 80 1.786% * 0.0031% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 393 (1.98, 4.18, 62.90 ppm): 75 chemical-shift based assignments, quality = 0.561, support = 2.14, residual support = 18.8: * O T HB VAL 73 - HA VAL 73 1.333% * 69.4743% (0.72 10.0 10.00 2.67 25.01) = 69.474% kept T HB3 MET 118 - HB3 SER 49 1.333% * 7.4985% (0.24 1.0 10.00 0.64 0.02) = 7.499% kept HB2 PRO 86 - HA VAL 87 1.333% * 6.4472% (0.51 1.0 1.00 2.60 20.31) = 6.447% kept T HB3 GLU- 75 - HA VAL 73 1.333% * 5.4775% (0.15 1.0 10.00 0.76 0.02) = 5.478% kept T HB3 GLU- 75 - HB3 SER 49 1.333% * 1.6598% (0.13 1.0 10.00 0.26 0.02) = 1.660% kept HG3 PRO 104 - HA VAL 105 1.333% * 1.3866% (0.18 1.0 1.00 1.57 9.44) = 1.387% kept T HB2 PRO 86 - HA VAL 73 1.333% * 0.9483% (0.98 1.0 10.00 0.02 0.02) = 0.948% T HB2 PRO 86 - HB3 SER 49 1.333% * 0.8374% (0.86 1.0 10.00 0.02 0.02) = 0.837% T HB2 LYS+ 108 - HB3 SER 49 1.333% * 0.8281% (0.85 1.0 10.00 0.02 0.02) = 0.828% T HB3 GLU- 56 - HB3 SER 49 1.333% * 0.7577% (0.78 1.0 10.00 0.02 0.02) = 0.758% T HB VAL 73 - HB3 SER 49 1.333% * 0.6135% (0.63 1.0 10.00 0.02 0.02) = 0.613% T HB2 PRO 86 - HA VAL 65 1.333% * 0.5202% (0.54 1.0 10.00 0.02 0.02) = 0.520% T HB VAL 73 - HA VAL 65 1.333% * 0.3811% (0.39 1.0 10.00 0.02 0.02) = 0.381% T HB3 GLU- 75 - HA VAL 65 1.333% * 0.3063% (0.08 1.0 10.00 0.08 0.02) = 0.306% T HB3 GLU- 109 - HB3 SER 49 1.333% * 0.2608% (0.27 1.0 10.00 0.02 0.02) = 0.261% T HB2 HIS+ 14 - HB3 SER 49 1.333% * 0.2349% (0.24 1.0 10.00 0.02 0.02) = 0.235% T HB2 PRO 86 - HA VAL 105 1.333% * 0.2182% (0.22 1.0 10.00 0.02 0.02) = 0.218% T HB VAL 13 - HB3 SER 49 1.333% * 0.1881% (0.19 1.0 10.00 0.02 0.02) = 0.188% T HB2 GLU- 18 - HB3 SER 49 1.333% * 0.1672% (0.17 1.0 10.00 0.02 0.02) = 0.167% T HB VAL 73 - HA VAL 105 1.333% * 0.1599% (0.16 1.0 10.00 0.02 0.02) = 0.160% T HB3 MET 118 - HA VAL 87 1.333% * 0.1393% (0.14 1.0 10.00 0.02 0.02) = 0.139% T HB2 PRO 35 - HB3 SER 49 1.333% * 0.1304% (0.13 1.0 10.00 0.02 0.02) = 0.130% HB2 LYS+ 108 - HA VAL 73 1.333% * 0.0938% (0.97 1.0 1.00 0.02 0.02) = 0.094% HB3 GLU- 56 - HA VAL 73 1.333% * 0.0858% (0.88 1.0 1.00 0.02 0.02) = 0.086% HG3 PRO 104 - HA VAL 73 1.333% * 0.0766% (0.79 1.0 1.00 0.02 0.02) = 0.077% T HB3 GLU- 75 - HA VAL 87 1.333% * 0.0751% (0.08 1.0 10.00 0.02 0.02) = 0.075% HG3 PRO 104 - HB3 SER 49 1.333% * 0.0677% (0.70 1.0 1.00 0.02 0.02) = 0.068% HB2 LYS+ 108 - HA VAL 65 1.333% * 0.0514% (0.53 1.0 1.00 0.02 0.02) = 0.051% HB2 LYS+ 108 - HA VAL 87 1.333% * 0.0491% (0.51 1.0 1.00 0.02 0.02) = 0.049% HB3 GLU- 56 - HA VAL 65 1.333% * 0.0471% (0.49 1.0 1.00 0.02 0.02) = 0.047% HG2 PRO 112 - HA VAL 73 1.333% * 0.0468% (0.48 1.0 1.00 0.02 0.41) = 0.047% HB3 GLU- 56 - HA VAL 87 1.333% * 0.0449% (0.46 1.0 1.00 0.02 0.02) = 0.045% HG3 PRO 104 - HA VAL 65 1.333% * 0.0420% (0.43 1.0 1.00 0.02 0.02) = 0.042% HG2 PRO 112 - HB3 SER 49 1.333% * 0.0413% (0.43 1.0 1.00 0.02 0.02) = 0.041% HG3 PRO 104 - HA VAL 87 1.333% * 0.0401% (0.41 1.0 1.00 0.02 0.02) = 0.040% HB VAL 73 - HA VAL 87 1.333% * 0.0364% (0.37 1.0 1.00 0.02 0.02) = 0.036% T HB3 GLU- 75 - HA VAL 105 1.333% * 0.0330% (0.03 1.0 10.00 0.02 0.02) = 0.033% HB3 GLU- 109 - HA VAL 73 1.333% * 0.0295% (0.30 1.0 1.00 0.02 0.02) = 0.030% HB3 MET 118 - HA VAL 73 1.333% * 0.0266% (0.27 1.0 1.00 0.02 0.02) = 0.027% HB2 HIS+ 14 - HA VAL 73 1.333% * 0.0266% (0.27 1.0 1.00 0.02 0.02) = 0.027% HG2 PRO 112 - HA VAL 65 1.333% * 0.0257% (0.26 1.0 1.00 0.02 0.02) = 0.026% HG2 PRO 112 - HA VAL 87 1.333% * 0.0245% (0.25 1.0 1.00 0.02 0.02) = 0.024% HB2 LYS+ 108 - HA VAL 105 1.333% * 0.0216% (0.22 1.0 1.00 0.02 0.02) = 0.022% HB VAL 13 - HA VAL 73 1.333% * 0.0213% (0.22 1.0 1.00 0.02 0.02) = 0.021% HG3 PRO 112 - HA VAL 73 1.333% * 0.0213% (0.22 1.0 1.00 0.02 0.41) = 0.021% HB3 GLU- 56 - HA VAL 105 1.333% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% HG3 PRO 116 - HA VAL 73 1.333% * 0.0189% (0.20 1.0 1.00 0.02 0.02) = 0.019% HB2 GLU- 18 - HA VAL 73 1.333% * 0.0189% (0.20 1.0 1.00 0.02 0.02) = 0.019% HG3 PRO 112 - HB3 SER 49 1.333% * 0.0188% (0.19 1.0 1.00 0.02 0.02) = 0.019% HG3 PRO 116 - HB3 SER 49 1.333% * 0.0167% (0.17 1.0 1.00 0.02 0.02) = 0.017% HB3 GLU- 109 - HA VAL 65 1.333% * 0.0162% (0.17 1.0 1.00 0.02 0.02) = 0.016% HB3 GLU- 109 - HA VAL 87 1.333% * 0.0155% (0.16 1.0 1.00 0.02 0.02) = 0.015% HB2 PRO 35 - HA VAL 73 1.333% * 0.0148% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB2 HIS+ 14 - HA VAL 65 1.333% * 0.0146% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB3 MET 118 - HA VAL 65 1.333% * 0.0146% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB2 HIS+ 14 - HA VAL 87 1.333% * 0.0139% (0.14 1.0 1.00 0.02 0.02) = 0.014% HG3 PRO 112 - HA VAL 65 1.333% * 0.0117% (0.12 1.0 1.00 0.02 0.02) = 0.012% HB VAL 13 - HA VAL 65 1.333% * 0.0117% (0.12 1.0 1.00 0.02 0.02) = 0.012% HB VAL 13 - HA VAL 87 1.333% * 0.0112% (0.11 1.0 1.00 0.02 0.02) = 0.011% HG3 PRO 112 - HA VAL 87 1.333% * 0.0112% (0.11 1.0 1.00 0.02 0.02) = 0.011% HG2 PRO 112 - HA VAL 105 1.333% * 0.0108% (0.11 1.0 1.00 0.02 0.02) = 0.011% HG3 PRO 116 - HA VAL 65 1.333% * 0.0104% (0.11 1.0 1.00 0.02 0.02) = 0.010% HB2 GLU- 18 - HA VAL 65 1.333% * 0.0104% (0.11 1.0 1.00 0.02 0.02) = 0.010% HB2 GLU- 18 - HA VAL 87 1.333% * 0.0099% (0.10 1.0 1.00 0.02 0.02) = 0.010% HG3 PRO 116 - HA VAL 87 1.333% * 0.0099% (0.10 1.0 1.00 0.02 0.02) = 0.010% HB2 PRO 35 - HA VAL 65 1.333% * 0.0081% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB2 PRO 35 - HA VAL 87 1.333% * 0.0077% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 109 - HA VAL 105 1.333% * 0.0068% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB3 MET 118 - HA VAL 105 1.333% * 0.0061% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB2 HIS+ 14 - HA VAL 105 1.333% * 0.0061% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB VAL 13 - HA VAL 105 1.333% * 0.0049% (0.05 1.0 1.00 0.02 0.02) = 0.005% HG3 PRO 112 - HA VAL 105 1.333% * 0.0049% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB2 GLU- 18 - HA VAL 105 1.333% * 0.0044% (0.04 1.0 1.00 0.02 0.02) = 0.004% HG3 PRO 116 - HA VAL 105 1.333% * 0.0044% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB2 PRO 35 - HA VAL 105 1.333% * 0.0034% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 394 (1.97, 4.00, 62.56 ppm): 12 chemical-shift based assignments, quality = 0.478, support = 1.93, residual support = 9.87: * O T HB VAL 13 - HA VAL 13 8.333% * 96.3113% (0.49 10.0 10.00 2.00 10.25) = 96.311% kept T HB2 LYS+ 108 - HA VAL 13 8.333% * 1.0272% (0.52 1.0 10.00 0.02 0.02) = 1.027% kept T HB2 PRO 35 - HA VAL 13 8.333% * 0.7729% (0.39 1.0 10.00 0.02 0.02) = 0.773% HG2 PRO 112 - HA VAL 13 8.333% * 0.6405% (0.37 1.0 1.00 0.18 0.02) = 0.641% T HB3 LYS+ 55 - HA VAL 13 8.333% * 0.3959% (0.20 1.0 10.00 0.02 0.02) = 0.396% HG3 PRO 104 - HA VAL 13 8.333% * 0.1584% (0.81 1.0 1.00 0.02 0.02) = 0.158% HB VAL 73 - HA VAL 13 8.333% * 0.1584% (0.81 1.0 1.00 0.02 0.02) = 0.158% HB3 GLU- 56 - HA VAL 13 8.333% * 0.1532% (0.78 1.0 1.00 0.02 0.02) = 0.153% HB2 PRO 86 - HA VAL 13 8.333% * 0.1326% (0.68 1.0 1.00 0.02 0.02) = 0.133% HB3 GLU- 109 - HA VAL 13 8.333% * 0.1153% (0.59 1.0 1.00 0.02 0.02) = 0.115% HG3 PRO 116 - HA VAL 13 8.333% * 0.0899% (0.46 1.0 1.00 0.02 0.02) = 0.090% HG3 PRO 31 - HA VAL 13 8.333% * 0.0441% (0.23 1.0 1.00 0.02 0.02) = 0.044% Peak 396 (1.64, 4.15, 62.61 ppm): 66 chemical-shift based assignments, quality = 0.353, support = 1.71, residual support = 4.68: T HG12 ILE 101 - HB3 SER 49 1.515% * 52.3208% (0.43 1.0 10.00 1.45 2.53) = 52.321% kept * O HG2 LYS+ 110 - HA LYS+ 110 1.515% * 16.1271% (0.10 10.0 1.00 3.00 15.91) = 16.127% kept HB ILE 68 - HA VAL 105 1.515% * 6.7121% (0.65 1.0 1.00 1.24 0.60) = 6.712% kept HB ILE 68 - HB3 SER 49 1.515% * 6.3094% (0.41 1.0 1.00 1.84 1.95) = 6.309% kept HG12 ILE 101 - HA LYS+ 110 1.515% * 3.6493% (0.42 1.0 1.00 1.04 0.77) = 3.649% kept HB ILE 68 - HA VAL 65 1.515% * 3.4082% (0.28 1.0 1.00 1.48 1.17) = 3.408% kept HG12 ILE 101 - HA VAL 65 1.515% * 3.1624% (0.29 1.0 1.00 1.31 5.65) = 3.162% kept HB3 LYS+ 66 - HA VAL 65 1.515% * 2.7081% (0.08 1.0 1.00 3.84 12.79) = 2.708% kept HB ILE 68 - HA VAL 73 1.515% * 1.8180% (0.13 1.0 1.00 1.63 1.95) = 1.818% kept HG LEU 43 - HA LYS+ 110 1.515% * 1.0129% (0.40 1.0 1.00 0.30 0.11) = 1.013% kept T HG3 ARG+ 84 - HB3 SER 49 1.515% * 0.3536% (0.21 1.0 10.00 0.02 0.02) = 0.354% HG2 ARG+ 22 - HA VAL 105 1.515% * 0.1336% (0.80 1.0 1.00 0.02 0.42) = 0.134% HG LEU 23 - HA VAL 105 1.515% * 0.1245% (0.74 1.0 1.00 0.02 0.12) = 0.124% HG12 ILE 101 - HA VAL 105 1.515% * 0.1139% (0.68 1.0 1.00 0.02 0.02) = 0.114% HG LEU 43 - HA VAL 105 1.515% * 0.1082% (0.65 1.0 1.00 0.02 0.02) = 0.108% HB VAL 122 - HA VAL 105 1.515% * 0.1082% (0.65 1.0 1.00 0.02 0.02) = 0.108% HG2 ARG+ 22 - HB3 SER 49 1.515% * 0.0845% (0.51 1.0 1.00 0.02 0.02) = 0.084% HG2 ARG+ 22 - HA LYS+ 110 1.515% * 0.0826% (0.49 1.0 1.00 0.02 0.02) = 0.083% HG LEU 23 - HB3 SER 49 1.515% * 0.0787% (0.47 1.0 1.00 0.02 0.10) = 0.079% HG LEU 23 - HA LYS+ 110 1.515% * 0.0769% (0.46 1.0 1.00 0.02 0.02) = 0.077% HB VAL 122 - HB3 SER 49 1.515% * 0.0684% (0.41 1.0 1.00 0.02 0.02) = 0.068% HG LEU 43 - HB3 SER 49 1.515% * 0.0684% (0.41 1.0 1.00 0.02 0.02) = 0.068% HB VAL 122 - HA LYS+ 110 1.515% * 0.0669% (0.40 1.0 1.00 0.02 0.02) = 0.067% HB ILE 68 - HA LYS+ 110 1.515% * 0.0669% (0.40 1.0 1.00 0.02 0.02) = 0.067% HG3 LYS+ 78 - HA VAL 105 1.515% * 0.0668% (0.40 1.0 1.00 0.02 0.02) = 0.067% HG2 ARG+ 22 - HA VAL 65 1.515% * 0.0568% (0.34 1.0 1.00 0.02 0.02) = 0.057% HG3 ARG+ 84 - HA VAL 105 1.515% * 0.0559% (0.33 1.0 1.00 0.02 0.02) = 0.056% HG2 ARG+ 22 - HA VAL 87 1.515% * 0.0543% (0.32 1.0 1.00 0.02 0.02) = 0.054% HG LEU 23 - HA VAL 65 1.515% * 0.0529% (0.32 1.0 1.00 0.02 0.02) = 0.053% HG LEU 23 - HA VAL 87 1.515% * 0.0506% (0.30 1.0 1.00 0.02 0.45) = 0.051% HG12 ILE 101 - HA VAL 87 1.515% * 0.0463% (0.28 1.0 1.00 0.02 0.02) = 0.046% HG LEU 43 - HA VAL 65 1.515% * 0.0460% (0.28 1.0 1.00 0.02 0.02) = 0.046% HB VAL 122 - HA VAL 65 1.515% * 0.0460% (0.28 1.0 1.00 0.02 0.02) = 0.046% HG LEU 43 - HA VAL 87 1.515% * 0.0440% (0.26 1.0 1.00 0.02 0.02) = 0.044% HB VAL 122 - HA VAL 87 1.515% * 0.0440% (0.26 1.0 1.00 0.02 0.02) = 0.044% HB ILE 68 - HA VAL 87 1.515% * 0.0440% (0.26 1.0 1.00 0.02 0.02) = 0.044% HG3 LYS+ 78 - HB3 SER 49 1.515% * 0.0422% (0.25 1.0 1.00 0.02 0.02) = 0.042% HG3 LYS+ 78 - HA LYS+ 110 1.515% * 0.0413% (0.25 1.0 1.00 0.02 0.02) = 0.041% HG3 ARG+ 84 - HA LYS+ 110 1.515% * 0.0346% (0.21 1.0 1.00 0.02 0.02) = 0.035% HB3 LYS+ 66 - HA VAL 105 1.515% * 0.0332% (0.20 1.0 1.00 0.02 0.02) = 0.033% HB ILE 100 - HA VAL 105 1.515% * 0.0295% (0.18 1.0 1.00 0.02 0.02) = 0.029% HG3 LYS+ 78 - HA VAL 65 1.515% * 0.0284% (0.17 1.0 1.00 0.02 0.02) = 0.028% HG2 ARG+ 22 - HA VAL 73 1.515% * 0.0276% (0.17 1.0 1.00 0.02 0.02) = 0.028% HG3 LYS+ 78 - HA VAL 87 1.515% * 0.0271% (0.16 1.0 1.00 0.02 0.02) = 0.027% HG2 LYS+ 110 - HA VAL 105 1.515% * 0.0261% (0.16 1.0 1.00 0.02 0.02) = 0.026% HG LEU 23 - HA VAL 73 1.515% * 0.0257% (0.15 1.0 1.00 0.02 0.02) = 0.026% HG3 ARG+ 84 - HA VAL 65 1.515% * 0.0238% (0.14 1.0 1.00 0.02 0.02) = 0.024% HG12 ILE 101 - HA VAL 73 1.515% * 0.0235% (0.14 1.0 1.00 0.02 0.02) = 0.024% HG3 ARG+ 84 - HA VAL 87 1.515% * 0.0227% (0.14 1.0 1.00 0.02 0.02) = 0.023% HB VAL 122 - HA VAL 73 1.515% * 0.0224% (0.13 1.0 1.00 0.02 0.02) = 0.022% HG LEU 43 - HA VAL 73 1.515% * 0.0224% (0.13 1.0 1.00 0.02 0.02) = 0.022% HB3 LYS+ 66 - HB3 SER 49 1.515% * 0.0210% (0.13 1.0 1.00 0.02 0.02) = 0.021% HB3 LYS+ 66 - HA LYS+ 110 1.515% * 0.0205% (0.12 1.0 1.00 0.02 0.02) = 0.021% HB ILE 100 - HB3 SER 49 1.515% * 0.0186% (0.11 1.0 1.00 0.02 1.46) = 0.019% HB ILE 100 - HA LYS+ 110 1.515% * 0.0182% (0.11 1.0 1.00 0.02 0.02) = 0.018% HG2 LYS+ 110 - HB3 SER 49 1.515% * 0.0165% (0.10 1.0 1.00 0.02 0.02) = 0.017% HG3 LYS+ 78 - HA VAL 73 1.515% * 0.0138% (0.08 1.0 1.00 0.02 0.02) = 0.014% HB3 LYS+ 66 - HA VAL 87 1.515% * 0.0135% (0.08 1.0 1.00 0.02 0.02) = 0.013% HB ILE 100 - HA VAL 65 1.515% * 0.0125% (0.07 1.0 1.00 0.02 0.02) = 0.013% HB ILE 100 - HA VAL 87 1.515% * 0.0120% (0.07 1.0 1.00 0.02 0.35) = 0.012% HG3 ARG+ 84 - HA VAL 73 1.515% * 0.0116% (0.07 1.0 1.00 0.02 0.02) = 0.012% HG2 LYS+ 110 - HA VAL 65 1.515% * 0.0111% (0.07 1.0 1.00 0.02 0.02) = 0.011% HG2 LYS+ 110 - HA VAL 87 1.515% * 0.0106% (0.06 1.0 1.00 0.02 0.02) = 0.011% HB3 LYS+ 66 - HA VAL 73 1.515% * 0.0069% (0.04 1.0 1.00 0.02 0.02) = 0.007% HB ILE 100 - HA VAL 73 1.515% * 0.0061% (0.04 1.0 1.00 0.02 0.02) = 0.006% HG2 LYS+ 110 - HA VAL 73 1.515% * 0.0054% (0.03 1.0 1.00 0.02 0.02) = 0.005% Peak 409 (0.92, 4.16, 62.64 ppm): 84 chemical-shift based assignments, quality = 0.566, support = 2.23, residual support = 8.19: * O QG2 VAL 105 - HA VAL 105 1.190% * 32.7126% (0.75 10.0 2.47 5.92) = 32.713% kept O QG1 VAL 105 - HA VAL 105 1.190% * 29.6654% (0.68 10.0 2.42 5.92) = 29.665% kept O HG3 LYS+ 110 - HA LYS+ 110 1.190% * 15.1605% (0.36 10.0 1.93 15.91) = 15.160% kept O QG2 VAL 87 - HA VAL 87 1.190% * 5.0048% (0.12 10.0 3.15 20.87) = 5.005% kept O QG2 VAL 73 - HA VAL 73 1.190% * 3.7195% (0.09 10.0 2.97 25.01) = 3.719% kept HG12 ILE 68 - HA VAL 105 1.190% * 2.5184% (0.92 1.0 1.26 0.60) = 2.518% kept HG12 ILE 68 - HB3 SER 49 1.190% * 2.2726% (0.59 1.0 1.78 1.95) = 2.273% kept HG12 ILE 68 - HA VAL 65 1.190% * 2.1118% (0.55 1.0 1.76 1.17) = 2.112% kept HG12 ILE 68 - HA VAL 73 1.190% * 1.5303% (0.30 1.0 2.33 1.95) = 1.530% kept QD1 LEU 67 - HA VAL 105 1.190% * 0.7520% (0.39 1.0 0.90 0.02) = 0.752% HG3 LYS+ 117 - HA VAL 73 1.190% * 0.5436% (0.15 1.0 1.67 0.14) = 0.544% QD1 LEU 67 - HA VAL 73 1.190% * 0.5392% (0.13 1.0 1.96 0.02) = 0.539% QD1 LEU 67 - HA VAL 65 1.190% * 0.5297% (0.23 1.0 1.05 0.72) = 0.530% QG2 VAL 105 - HB3 SER 49 1.190% * 0.4822% (0.48 1.0 0.46 0.02) = 0.482% QG1 VAL 105 - HB3 SER 49 1.190% * 0.4199% (0.44 1.0 0.44 0.02) = 0.420% QD1 LEU 67 - HB3 SER 49 1.190% * 0.2843% (0.25 1.0 0.53 0.02) = 0.284% QG1 VAL 47 - HB3 SER 49 1.190% * 0.2840% (0.21 1.0 0.64 0.02) = 0.284% QG2 ILE 29 - HB3 SER 49 1.190% * 0.1689% (0.15 1.0 0.52 0.02) = 0.169% HG3 LYS+ 117 - HB3 SER 49 1.190% * 0.1664% (0.29 1.0 0.26 0.55) = 0.166% QG1 VAL 47 - HA VAL 73 1.190% * 0.1206% (0.11 1.0 0.53 0.02) = 0.121% QG2 VAL 62 - HA VAL 73 1.190% * 0.1121% (0.12 1.0 0.45 0.02) = 0.112% QG2 VAL 80 - HA VAL 73 1.190% * 0.0582% (0.31 1.0 0.09 0.58) = 0.058% QG2 VAL 73 - HB3 SER 49 1.190% * 0.0477% (0.17 1.0 0.13 0.02) = 0.048% HG3 LYS+ 110 - HA VAL 105 1.190% * 0.0408% (0.94 1.0 0.02 0.02) = 0.041% QG2 VAL 80 - HA VAL 105 1.190% * 0.0405% (0.93 1.0 0.02 0.02) = 0.040% QG2 VAL 105 - HA VAL 73 1.190% * 0.0404% (0.25 1.0 0.08 0.02) = 0.040% QD1 LEU 17 - HA VAL 105 1.190% * 0.0312% (0.72 1.0 0.02 0.02) = 0.031% HG3 LYS+ 110 - HB3 SER 49 1.190% * 0.0261% (0.60 1.0 0.02 0.02) = 0.026% QG2 VAL 80 - HB3 SER 49 1.190% * 0.0259% (0.60 1.0 0.02 0.02) = 0.026% HG3 LYS+ 110 - HA VAL 65 1.190% * 0.0245% (0.56 1.0 0.02 0.02) = 0.024% QG2 VAL 80 - HA VAL 65 1.190% * 0.0243% (0.56 1.0 0.02 0.02) = 0.024% QD1 LEU 17 - HB3 SER 49 1.190% * 0.0200% (0.46 1.0 0.02 0.02) = 0.020% HG3 LYS+ 117 - HA VAL 105 1.190% * 0.0199% (0.46 1.0 0.02 0.02) = 0.020% QG2 VAL 105 - HA VAL 65 1.190% * 0.0196% (0.45 1.0 0.02 0.02) = 0.020% QD1 LEU 17 - HA VAL 65 1.190% * 0.0187% (0.43 1.0 0.02 0.02) = 0.019% HG3 LYS+ 110 - HA VAL 87 1.190% * 0.0180% (0.41 1.0 0.02 0.02) = 0.018% QG2 VAL 80 - HA VAL 87 1.190% * 0.0178% (0.41 1.0 0.02 0.02) = 0.018% QG1 VAL 105 - HA VAL 65 1.190% * 0.0178% (0.41 1.0 0.02 0.02) = 0.018% HG12 ILE 68 - HA VAL 87 1.190% * 0.0176% (0.41 1.0 0.02 0.02) = 0.018% QG2 VAL 80 - HA LYS+ 110 1.190% * 0.0156% (0.36 1.0 0.02 0.02) = 0.016% HG12 ILE 68 - HA LYS+ 110 1.190% * 0.0154% (0.35 1.0 0.02 0.02) = 0.015% QG2 VAL 62 - HA VAL 105 1.190% * 0.0153% (0.35 1.0 0.02 0.02) = 0.015% QG2 VAL 105 - HA VAL 87 1.190% * 0.0144% (0.33 1.0 0.02 0.02) = 0.014% QG1 VAL 47 - HA VAL 105 1.190% * 0.0139% (0.32 1.0 0.02 0.02) = 0.014% QD1 LEU 17 - HA VAL 87 1.190% * 0.0138% (0.32 1.0 0.02 0.02) = 0.014% HG3 LYS+ 110 - HA VAL 73 1.190% * 0.0133% (0.31 1.0 0.02 0.02) = 0.013% QG1 VAL 105 - HA VAL 87 1.190% * 0.0131% (0.30 1.0 0.02 0.02) = 0.013% QG2 VAL 105 - HA LYS+ 110 1.190% * 0.0126% (0.29 1.0 0.02 0.02) = 0.013% QD1 LEU 17 - HA LYS+ 110 1.190% * 0.0120% (0.28 1.0 0.02 0.02) = 0.012% HG3 LYS+ 117 - HA VAL 65 1.190% * 0.0119% (0.27 1.0 0.02 0.02) = 0.012% QG1 VAL 105 - HA LYS+ 110 1.190% * 0.0114% (0.26 1.0 0.02 0.02) = 0.011% QG2 VAL 73 - HA VAL 105 1.190% * 0.0114% (0.26 1.0 0.02 0.02) = 0.011% QG2 VAL 40 - HA VAL 105 1.190% * 0.0114% (0.26 1.0 0.02 0.02) = 0.011% QG2 VAL 87 - HA VAL 105 1.190% * 0.0114% (0.26 1.0 0.02 0.02) = 0.011% QD1 LEU 17 - HA VAL 73 1.190% * 0.0102% (0.24 1.0 0.02 0.02) = 0.010% QG2 ILE 29 - HA VAL 105 1.190% * 0.0102% (0.23 1.0 0.02 0.38) = 0.010% QG2 VAL 62 - HB3 SER 49 1.190% * 0.0098% (0.23 1.0 0.02 0.02) = 0.010% QG1 VAL 105 - HA VAL 73 1.190% * 0.0097% (0.22 1.0 0.02 0.02) = 0.010% QG2 VAL 62 - HA VAL 65 1.190% * 0.0092% (0.21 1.0 0.02 0.02) = 0.009% HG3 LYS+ 117 - HA VAL 87 1.190% * 0.0088% (0.20 1.0 0.02 0.02) = 0.009% QG1 VAL 47 - HA VAL 65 1.190% * 0.0084% (0.19 1.0 0.02 0.02) = 0.008% HG3 LYS+ 117 - HA LYS+ 110 1.190% * 0.0077% (0.18 1.0 0.02 0.02) = 0.008% QD1 LEU 67 - HA VAL 87 1.190% * 0.0074% (0.17 1.0 0.02 0.02) = 0.007% QG2 VAL 40 - HB3 SER 49 1.190% * 0.0073% (0.17 1.0 0.02 0.02) = 0.007% QG2 VAL 87 - HB3 SER 49 1.190% * 0.0073% (0.17 1.0 0.02 0.02) = 0.007% QG2 VAL 73 - HA VAL 65 1.190% * 0.0068% (0.16 1.0 0.02 0.02) = 0.007% QG2 VAL 40 - HA VAL 65 1.190% * 0.0068% (0.16 1.0 0.02 0.02) = 0.007% QG2 VAL 87 - HA VAL 65 1.190% * 0.0068% (0.16 1.0 0.02 0.02) = 0.007% QG2 VAL 62 - HA VAL 87 1.190% * 0.0068% (0.16 1.0 0.02 0.02) = 0.007% QD1 LEU 67 - HA LYS+ 110 1.190% * 0.0065% (0.15 1.0 0.02 0.02) = 0.006% QG1 VAL 47 - HA VAL 87 1.190% * 0.0061% (0.14 1.0 0.02 0.02) = 0.006% QG2 ILE 29 - HA VAL 65 1.190% * 0.0061% (0.14 1.0 0.02 0.02) = 0.006% QG2 VAL 62 - HA LYS+ 110 1.190% * 0.0059% (0.14 1.0 0.02 0.02) = 0.006% QG1 VAL 47 - HA LYS+ 110 1.190% * 0.0054% (0.12 1.0 0.02 0.02) = 0.005% QG2 VAL 73 - HA VAL 87 1.190% * 0.0050% (0.12 1.0 0.02 0.02) = 0.005% QG2 VAL 40 - HA VAL 87 1.190% * 0.0050% (0.12 1.0 0.02 0.02) = 0.005% QG2 ILE 29 - HA VAL 87 1.190% * 0.0045% (0.10 1.0 0.02 0.02) = 0.004% QG2 VAL 73 - HA LYS+ 110 1.190% * 0.0044% (0.10 1.0 0.02 0.02) = 0.004% QG2 VAL 40 - HA LYS+ 110 1.190% * 0.0044% (0.10 1.0 0.02 0.02) = 0.004% QG2 VAL 87 - HA LYS+ 110 1.190% * 0.0044% (0.10 1.0 0.02 0.02) = 0.004% QG2 ILE 29 - HA LYS+ 110 1.190% * 0.0039% (0.09 1.0 0.02 0.02) = 0.004% QG2 VAL 40 - HA VAL 73 1.190% * 0.0037% (0.09 1.0 0.02 0.02) = 0.004% QG2 VAL 87 - HA VAL 73 1.190% * 0.0037% (0.09 1.0 0.02 0.02) = 0.004% QG2 ILE 29 - HA VAL 73 1.190% * 0.0033% (0.08 1.0 0.02 0.02) = 0.003% Peak 412 (0.92, 3.26, 62.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 413 (0.92, 3.19, 62.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 419 (0.92, 0.92, 21.24 ppm): 4 diagonal assignments: * HG3 LYS+ 110 - HG3 LYS+ 110 (0.87) kept QG2 VAL 105 - QG2 VAL 105 (0.35) kept QG2 VAL 80 - QG2 VAL 80 (0.24) kept QG2 VAL 87 - QG2 VAL 87 (0.11) kept Peak 424 (0.85, 4.01, 62.59 ppm): 7 chemical-shift based assignments, quality = 0.649, support = 1.92, residual support = 10.2: * O T QG2 VAL 13 - HA VAL 13 14.286% * 66.3019% (0.78 10.0 10.00 1.93 10.25) = 66.302% kept O QG1 VAL 13 - HA VAL 13 14.286% * 32.9736% (0.40 10.0 1.00 1.93 10.25) = 32.974% kept T QD1 LEU 90 - HA VAL 13 14.286% * 0.4251% (0.50 1.0 10.00 0.02 0.02) = 0.425% T QG1 VAL 94 - HA VAL 13 14.286% * 0.1748% (0.21 1.0 10.00 0.02 0.02) = 0.175% HG2 LYS+ 117 - HA VAL 13 14.286% * 0.0509% (0.60 1.0 1.00 0.02 0.02) = 0.051% QG2 ILE 100 - HA VAL 13 14.286% * 0.0397% (0.47 1.0 1.00 0.02 0.14) = 0.040% QD1 ILE 29 - HA VAL 13 14.286% * 0.0341% (0.40 1.0 1.00 0.02 0.02) = 0.034% Peak 425 (0.73, 4.19, 62.90 ppm): 50 chemical-shift based assignments, quality = 0.554, support = 3.5, residual support = 19.2: O QG2 VAL 65 - HA VAL 65 2.000% * 41.8503% (0.53 10.0 4.60 29.62) = 41.850% kept HG LEU 74 - HA VAL 73 2.000% * 13.1916% (0.76 1.0 4.36 10.37) = 13.192% kept QG2 ILE 48 - HB3 SER 49 2.000% * 7.8740% (0.56 1.0 3.54 28.98) = 7.874% kept O QG1 VAL 65 - HA VAL 65 2.000% * 7.5946% (0.10 10.0 4.05 29.62) = 7.595% kept * QD1 ILE 68 - HA VAL 73 2.000% * 5.4184% (0.94 1.0 1.45 1.95) = 5.418% kept QD1 ILE 68 - HB3 SER 49 2.000% * 4.1482% (0.81 1.0 1.29 1.95) = 4.148% kept HG3 LYS+ 66 - HA VAL 65 2.000% * 3.8070% (0.42 1.0 2.30 12.79) = 3.807% kept QG1 VAL 40 - HA VAL 73 2.000% * 3.6870% (0.95 1.0 0.98 0.02) = 3.687% kept QG2 ILE 101 - HA VAL 65 2.000% * 2.9664% (0.31 1.0 2.40 5.65) = 2.966% kept QG2 ILE 101 - HB3 SER 49 2.000% * 2.8293% (0.47 1.0 1.53 2.53) = 2.829% kept QD1 ILE 68 - HA VAL 65 2.000% * 2.4283% (0.54 1.0 1.13 1.17) = 2.428% kept QG2 ILE 101 - HA VAL 73 2.000% * 1.0367% (0.54 1.0 0.48 0.02) = 1.037% kept HG3 LYS+ 44 - HA VAL 65 2.000% * 1.0333% (0.42 1.0 0.62 0.02) = 1.033% kept HG LEU 74 - HB3 SER 49 2.000% * 0.7098% (0.65 1.0 0.27 0.71) = 0.710% QG2 VAL 65 - HB3 SER 49 2.000% * 0.4120% (0.79 1.0 0.13 0.10) = 0.412% QG2 ILE 48 - HA VAL 65 2.000% * 0.2098% (0.38 1.0 0.14 1.26) = 0.210% QG2 VAL 65 - HA VAL 73 2.000% * 0.0729% (0.92 1.0 0.02 0.02) = 0.073% QG1 VAL 40 - HB3 SER 49 2.000% * 0.0646% (0.81 1.0 0.02 0.02) = 0.065% HG3 LYS+ 66 - HA VAL 73 2.000% * 0.0578% (0.73 1.0 0.02 0.02) = 0.058% HG3 LYS+ 44 - HA VAL 73 2.000% * 0.0578% (0.73 1.0 0.02 0.02) = 0.058% QG2 ILE 48 - HA VAL 73 2.000% * 0.0520% (0.66 1.0 0.02 0.02) = 0.052% HG3 LYS+ 66 - HB3 SER 49 2.000% * 0.0495% (0.62 1.0 0.02 0.02) = 0.049% HG3 LYS+ 44 - HB3 SER 49 2.000% * 0.0495% (0.62 1.0 0.02 0.02) = 0.049% QG1 VAL 40 - HA VAL 65 2.000% * 0.0433% (0.55 1.0 0.02 0.02) = 0.043% HG LEU 74 - HA VAL 65 2.000% * 0.0347% (0.44 1.0 0.02 0.02) = 0.035% QG2 THR 96 - HA VAL 73 2.000% * 0.0233% (0.29 1.0 0.02 0.02) = 0.023% QG1 VAL 40 - HA VAL 87 2.000% * 0.0220% (0.28 1.0 0.02 0.02) = 0.022% QD1 ILE 68 - HA VAL 87 2.000% * 0.0218% (0.28 1.0 0.02 0.02) = 0.022% QG2 VAL 65 - HA VAL 87 2.000% * 0.0213% (0.27 1.0 0.02 0.02) = 0.021% QG2 THR 96 - HB3 SER 49 2.000% * 0.0200% (0.25 1.0 0.02 0.02) = 0.020% HG LEU 74 - HA VAL 87 2.000% * 0.0176% (0.22 1.0 0.02 0.02) = 0.018% HG3 LYS+ 44 - HA VAL 87 2.000% * 0.0168% (0.21 1.0 0.02 0.02) = 0.017% HG3 LYS+ 66 - HA VAL 87 2.000% * 0.0168% (0.21 1.0 0.02 0.02) = 0.017% QG2 ILE 48 - HA VAL 87 2.000% * 0.0152% (0.19 1.0 0.02 0.02) = 0.015% QG2 THR 96 - HA VAL 65 2.000% * 0.0134% (0.17 1.0 0.02 0.02) = 0.013% QG1 VAL 65 - HA VAL 73 2.000% * 0.0132% (0.17 1.0 0.02 0.02) = 0.013% QG2 ILE 101 - HA VAL 87 2.000% * 0.0126% (0.16 1.0 0.02 0.02) = 0.013% QG1 VAL 40 - HA VAL 105 2.000% * 0.0121% (0.15 1.0 0.02 0.02) = 0.012% QD1 ILE 68 - HA VAL 105 2.000% * 0.0120% (0.15 1.0 0.02 0.60) = 0.012% QG2 VAL 65 - HA VAL 105 2.000% * 0.0117% (0.15 1.0 0.02 0.02) = 0.012% QG1 VAL 65 - HB3 SER 49 2.000% * 0.0113% (0.14 1.0 0.02 0.10) = 0.011% HG LEU 74 - HA VAL 105 2.000% * 0.0097% (0.12 1.0 0.02 0.02) = 0.010% HG3 LYS+ 44 - HA VAL 105 2.000% * 0.0093% (0.12 1.0 0.02 0.11) = 0.009% HG3 LYS+ 66 - HA VAL 105 2.000% * 0.0093% (0.12 1.0 0.02 0.02) = 0.009% QG2 ILE 48 - HA VAL 105 2.000% * 0.0083% (0.11 1.0 0.02 0.02) = 0.008% QG2 ILE 101 - HA VAL 105 2.000% * 0.0069% (0.09 1.0 0.02 0.02) = 0.007% QG2 THR 96 - HA VAL 87 2.000% * 0.0068% (0.09 1.0 0.02 0.02) = 0.007% QG1 VAL 65 - HA VAL 87 2.000% * 0.0039% (0.05 1.0 0.02 0.02) = 0.004% QG2 THR 96 - HA VAL 105 2.000% * 0.0037% (0.05 1.0 0.02 0.02) = 0.004% QG1 VAL 65 - HA VAL 105 2.000% * 0.0021% (0.03 1.0 0.02 0.02) = 0.002% Peak 427 (0.55, 4.19, 62.60 ppm): 5 chemical-shift based assignments, quality = 0.43, support = 2.38, residual support = 3.37: T QD1 ILE 101 - HB3 SER 49 20.000% * 72.7123% (0.35 10.00 1.89 2.53) = 72.712% kept QD1 ILE 101 - HA VAL 65 20.000% * 27.1431% (0.66 1.00 3.72 5.65) = 27.143% kept QD1 ILE 101 - HA VAL 105 20.000% * 0.0775% (0.35 1.00 0.02 0.02) = 0.078% QD1 ILE 101 - HA VAL 73 20.000% * 0.0553% (0.25 1.00 0.02 0.02) = 0.055% QD1 ILE 101 - HA VAL 87 20.000% * 0.0118% (0.05 1.00 0.02 0.02) = 0.012% Peak 439 (8.23, 0.92, 20.86 ppm): 22 chemical-shift based assignments, quality = 0.239, support = 0.444, residual support = 0.226: HN SER 49 - HG3 LYS+ 110 4.545% * 26.5086% (0.37 0.37 0.02) = 26.509% kept HN LYS+ 81 - HG3 LYS+ 110 4.545% * 25.4048% (0.33 0.40 0.02) = 25.405% kept HN GLU- 45 - HG3 LYS+ 110 4.545% * 16.4884% (0.14 0.62 0.11) = 16.488% kept HN GLU- 45 - QG2 VAL 87 4.545% * 12.1943% (0.06 1.04 1.57) = 12.194% kept HN VAL 94 - HG3 LYS+ 110 4.545% * 4.6076% (0.24 0.10 0.10) = 4.608% kept HN ALA 11 - QG2 VAL 87 4.545% * 3.4330% (0.07 0.24 0.02) = 3.433% kept HN ASP- 115 - HG3 LYS+ 110 4.545% * 1.5628% (0.10 0.08 0.02) = 1.563% kept HN GLY 58 - HG3 LYS+ 110 4.545% * 1.3710% (0.36 0.02 0.02) = 1.371% kept HN LEU 67 - HG3 LYS+ 110 4.545% * 1.2740% (0.33 0.02 0.02) = 1.274% kept HN GLU- 12 - HG3 LYS+ 110 4.545% * 1.1375% (0.29 0.02 0.02) = 1.138% kept HN VAL 105 - HG3 LYS+ 110 4.545% * 0.8616% (0.22 0.02 0.02) = 0.862% HN ALA 11 - HG3 LYS+ 110 4.545% * 0.6369% (0.17 0.02 0.02) = 0.637% HN SER 49 - QG2 VAL 87 4.545% * 0.6273% (0.16 0.02 0.02) = 0.627% HN GLY 58 - QG2 VAL 87 4.545% * 0.6054% (0.16 0.02 0.02) = 0.605% HN LEU 67 - QG2 VAL 87 4.545% * 0.5626% (0.15 0.02 0.02) = 0.563% HN LYS+ 81 - QG2 VAL 87 4.545% * 0.5626% (0.15 0.02 0.02) = 0.563% HN GLU- 12 - QG2 VAL 87 4.545% * 0.5023% (0.13 0.02 0.02) = 0.502% HN THR 106 - HG3 LYS+ 110 4.545% * 0.4846% (0.13 0.02 0.02) = 0.485% HN VAL 94 - QG2 VAL 87 4.545% * 0.4058% (0.11 0.02 0.02) = 0.406% HN VAL 105 - QG2 VAL 87 4.545% * 0.3805% (0.10 0.02 0.02) = 0.380% HN THR 106 - QG2 VAL 87 4.545% * 0.2140% (0.06 0.02 0.02) = 0.214% HN ASP- 115 - QG2 VAL 87 4.545% * 0.1744% (0.05 0.02 0.02) = 0.174% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 440 (4.80, 0.91, 20.89 ppm): 8 chemical-shift based assignments, quality = 0.204, support = 0.644, residual support = 0.705: HA ASN 15 - QG2 VAL 87 12.500% * 40.2521% (0.18 1.03 1.41) = 40.252% kept HA LEU 23 - QG2 VAL 87 12.500% * 29.3933% (0.28 0.47 0.45) = 29.393% kept HA GLU- 18 - HG3 LYS+ 110 12.500% * 15.4901% (0.19 0.36 0.02) = 15.490% kept HA GLU- 18 - QG2 VAL 87 12.500% * 10.8867% (0.15 0.32 0.02) = 10.887% kept HA LEU 23 - HG3 LYS+ 110 12.500% * 1.5751% (0.35 0.02 0.02) = 1.575% kept HA ASN 15 - HG3 LYS+ 110 12.500% * 0.9943% (0.22 0.02 0.02) = 0.994% HB THR 39 - HG3 LYS+ 110 12.500% * 0.7874% (0.18 0.02 0.02) = 0.787% HB THR 39 - QG2 VAL 87 12.500% * 0.6211% (0.14 0.02 0.02) = 0.621% Peak 442 (4.13, 0.92, 21.03 ppm): 18 chemical-shift based assignments, quality = 0.678, support = 2.11, residual support = 16.3: * O T HA LYS+ 110 - HG3 LYS+ 110 5.556% * 75.7988% (0.83 10.0 10.00 1.93 15.91) = 75.799% kept O T HA VAL 87 - QG2 VAL 87 5.556% * 18.6815% (0.20 10.0 10.00 3.15 20.87) = 18.681% kept HB2 SER 88 - QG2 VAL 87 5.556% * 3.0887% (0.38 1.0 1.00 1.77 11.74) = 3.089% kept T HB3 SER 49 - HG3 LYS+ 110 5.556% * 0.7435% (0.81 1.0 10.00 0.02 0.02) = 0.744% T HA LYS+ 110 - QG2 VAL 87 5.556% * 0.4158% (0.45 1.0 10.00 0.02 0.02) = 0.416% T HB3 SER 49 - QG2 VAL 87 5.556% * 0.4078% (0.45 1.0 10.00 0.02 0.02) = 0.408% T HA VAL 87 - HG3 LYS+ 110 5.556% * 0.3406% (0.37 1.0 10.00 0.02 0.02) = 0.341% T HA VAL 105 - HG3 LYS+ 110 5.556% * 0.1172% (0.13 1.0 10.00 0.02 0.02) = 0.117% HA2 GLY 71 - HG3 LYS+ 110 5.556% * 0.0745% (0.81 1.0 1.00 0.02 0.02) = 0.074% HA ARG+ 53 - HG3 LYS+ 110 5.556% * 0.0701% (0.77 1.0 1.00 0.02 0.02) = 0.070% T HA VAL 105 - QG2 VAL 87 5.556% * 0.0643% (0.07 1.0 10.00 0.02 0.02) = 0.064% HB2 SER 88 - HG3 LYS+ 110 5.556% * 0.0635% (0.69 1.0 1.00 0.02 0.02) = 0.063% HA2 GLY 71 - QG2 VAL 87 5.556% * 0.0408% (0.45 1.0 1.00 0.02 0.02) = 0.041% HA ARG+ 53 - QG2 VAL 87 5.556% * 0.0385% (0.42 1.0 1.00 0.02 0.02) = 0.038% HA THR 46 - HG3 LYS+ 110 5.556% * 0.0234% (0.26 1.0 1.00 0.02 0.02) = 0.023% HA THR 46 - QG2 VAL 87 5.556% * 0.0129% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB THR 106 - HG3 LYS+ 110 5.556% * 0.0117% (0.13 1.0 1.00 0.02 0.02) = 0.012% HB THR 106 - QG2 VAL 87 5.556% * 0.0064% (0.07 1.0 1.00 0.02 0.02) = 0.006% Peak 445 (4.02, 0.83, 20.87 ppm): 5 chemical-shift based assignments, quality = 0.731, support = 1.93, residual support = 10.2: * O T HA VAL 13 - QG2 VAL 13 20.000% * 99.8371% (0.73 10.0 10.00 1.93 10.25) = 99.837% kept HA THR 38 - QG2 VAL 13 20.000% * 0.0669% (0.49 1.0 1.00 0.02 0.02) = 0.067% HB THR 95 - QG2 VAL 13 20.000% * 0.0464% (0.34 1.0 1.00 0.02 0.02) = 0.046% HB3 SER 85 - QG2 VAL 13 20.000% * 0.0319% (0.23 1.0 1.00 0.02 0.02) = 0.032% HB3 SER 49 - QG2 VAL 13 20.000% * 0.0176% (0.13 1.0 1.00 0.02 0.02) = 0.018% Peak 518 (8.47, 4.31, 61.93 ppm): 18 chemical-shift based assignments, quality = 0.464, support = 2.24, residual support = 6.48: * O HN GLU- 107 - HA THR 106 5.556% * 96.1976% (0.47 10.0 2.31 6.73) = 96.198% kept HN LEU 74 - HA THR 106 5.556% * 2.6208% (0.27 1.0 0.95 0.02) = 2.621% kept HN GLU- 18 - HA THR 106 5.556% * 0.5477% (0.27 1.0 0.20 0.02) = 0.548% HN GLY 92 - HA THR 106 5.556% * 0.0937% (0.46 1.0 0.02 0.02) = 0.094% HN GLU- 107 - HA ILE 29 5.556% * 0.0879% (0.43 1.0 0.02 0.02) = 0.088% HN GLY 92 - HA ILE 29 5.556% * 0.0856% (0.42 1.0 0.02 0.02) = 0.086% HN LYS+ 113 - HA THR 106 5.556% * 0.0667% (0.33 1.0 0.02 0.02) = 0.067% HN LYS+ 113 - HA ILE 29 5.556% * 0.0609% (0.30 1.0 0.02 0.02) = 0.061% HN GLU- 18 - HA ILE 29 5.556% * 0.0502% (0.25 1.0 0.02 0.02) = 0.050% HN LEU 74 - HA ILE 29 5.556% * 0.0502% (0.25 1.0 0.02 0.02) = 0.050% HN GLU- 10 - HA THR 106 5.556% * 0.0364% (0.18 1.0 0.02 0.02) = 0.036% HN GLU- 10 - HA ILE 29 5.556% * 0.0333% (0.16 1.0 0.02 0.02) = 0.033% HN GLU- 107 - HA VAL 94 5.556% * 0.0165% (0.08 1.0 0.02 0.02) = 0.016% HN GLY 92 - HA VAL 94 5.556% * 0.0160% (0.08 1.0 0.02 0.02) = 0.016% HN LYS+ 113 - HA VAL 94 5.556% * 0.0114% (0.06 1.0 0.02 0.02) = 0.011% HN GLU- 18 - HA VAL 94 5.556% * 0.0094% (0.05 1.0 0.02 3.64) = 0.009% HN LEU 74 - HA VAL 94 5.556% * 0.0094% (0.05 1.0 0.02 0.02) = 0.009% HN GLU- 10 - HA VAL 94 5.556% * 0.0062% (0.03 1.0 0.02 0.02) = 0.006% Peak 519 (8.25, 4.31, 61.89 ppm): 16 chemical-shift based assignments, quality = 0.413, support = 2.85, residual support = 18.1: * O HN THR 106 - HA THR 106 6.250% * 97.6641% (0.42 10.0 2.91 18.53) = 97.664% kept HN LEU 67 - HA THR 106 6.250% * 1.2758% (0.29 1.0 0.38 0.02) = 1.276% kept HN THR 106 - HA ILE 29 6.250% * 0.1291% (0.55 1.0 0.02 0.02) = 0.129% HN ASP- 115 - HA ILE 29 6.250% * 0.1257% (0.54 1.0 0.02 0.02) = 0.126% HN GLU- 12 - HA ILE 29 6.250% * 0.1043% (0.45 1.0 0.02 0.02) = 0.104% HN ASP- 115 - HA THR 106 6.250% * 0.0951% (0.41 1.0 0.02 0.02) = 0.095% HN LYS+ 81 - HA ILE 29 6.250% * 0.0894% (0.38 1.0 0.02 0.02) = 0.089% HN LEU 67 - HA ILE 29 6.250% * 0.0894% (0.38 1.0 0.02 0.02) = 0.089% HN GLU- 12 - HA THR 106 6.250% * 0.0789% (0.34 1.0 0.02 0.02) = 0.079% HN GLY 58 - HA ILE 29 6.250% * 0.0737% (0.32 1.0 0.02 0.02) = 0.074% HN LYS+ 81 - HA THR 106 6.250% * 0.0677% (0.29 1.0 0.02 2.05) = 0.068% HN GLY 58 - HA THR 106 6.250% * 0.0558% (0.24 1.0 0.02 0.02) = 0.056% HN SER 49 - HA ILE 29 6.250% * 0.0535% (0.23 1.0 0.02 0.02) = 0.054% HN SER 49 - HA THR 106 6.250% * 0.0405% (0.17 1.0 0.02 0.45) = 0.041% HN ASN 89 - HA ILE 29 6.250% * 0.0325% (0.14 1.0 0.02 0.02) = 0.032% HN ASN 89 - HA THR 106 6.250% * 0.0246% (0.11 1.0 0.02 0.02) = 0.025% Peak 520 (8.07, 0.84, 20.68 ppm): 6 chemical-shift based assignments, quality = 0.278, support = 1.16, residual support = 1.82: HN LYS+ 110 - QG2 VAL 13 16.667% * 37.8901% (0.29 1.80 4.14) = 37.890% kept HN GLU- 75 - QG2 VAL 13 16.667% * 17.0607% (0.31 0.76 0.56) = 17.061% kept HN CYS 121 - QG2 VAL 13 16.667% * 15.4336% (0.29 0.73 0.14) = 15.434% kept * HN ASN 15 - QG2 VAL 13 16.667% * 14.2670% (0.21 0.97 0.52) = 14.267% kept HN MET 118 - QG2 VAL 13 16.667% * 13.6626% (0.27 0.70 0.44) = 13.663% kept HN VAL 122 - QG2 VAL 13 16.667% * 1.6860% (0.09 0.25 0.02) = 1.686% kept Peak 521 (7.81, 0.91, 20.50 ppm): 5 chemical-shift based assignments, quality = 0.102, support = 0.0687, residual support = 0.02: HN VAL 87 - QG2 VAL 125 20.000% * 52.6171% (0.08 0.11 0.02) = 52.617% kept HN ALA 93 - QG2 VAL 125 20.000% * 17.4074% (0.15 0.02 0.02) = 17.407% kept HN LYS+ 55 - QG2 VAL 125 20.000% * 16.3936% (0.14 0.02 0.02) = 16.394% kept HN THR 46 - QG2 VAL 125 20.000% * 8.6442% (0.08 0.02 0.02) = 8.644% kept HN LYS+ 63 - QG2 VAL 125 20.000% * 4.9377% (0.04 0.02 0.02) = 4.938% kept Reference assignment not found: HN VAL 87 - QG2 VAL 87 Not enough support, support cutoff is 0.27 Peak unassigned. Peak 525 (4.32, 4.31, 61.98 ppm): 2 diagonal assignments: * HA ILE 29 - HA ILE 29 (0.29) kept HA THR 106 - HA THR 106 (0.10) kept Peak 526 (4.20, 4.31, 61.92 ppm): 18 chemical-shift based assignments, quality = 0.365, support = 0.563, residual support = 0.387: T HB3 SER 49 - HA THR 106 5.556% * 84.4183% (0.40 10.00 0.64 0.45) = 84.418% kept T HB3 SER 49 - HA VAL 94 5.556% * 4.3207% (0.08 10.00 0.16 0.02) = 4.321% kept HA VAL 73 - HA THR 106 5.556% * 2.8002% (0.26 1.00 0.34 0.11) = 2.800% kept T HA GLU- 12 - HA VAL 94 5.556% * 2.6906% (0.04 10.00 0.20 0.02) = 2.691% kept T HB3 SER 49 - HA ILE 29 5.556% * 2.4852% (0.38 10.00 0.02 0.02) = 2.485% kept T HA GLU- 12 - HA THR 106 5.556% * 1.2886% (0.20 10.00 0.02 0.02) = 1.289% kept HA ASP- 82 - HA VAL 94 5.556% * 0.3912% (0.09 1.00 0.13 0.02) = 0.391% HA ASP- 82 - HA THR 106 5.556% * 0.2868% (0.44 1.00 0.02 0.69) = 0.287% HA ASP- 82 - HA ILE 29 5.556% * 0.2702% (0.41 1.00 0.02 0.02) = 0.270% HA VAL 65 - HA VAL 94 5.556% * 0.2434% (0.06 1.00 0.12 0.02) = 0.243% HA VAL 65 - HA THR 106 5.556% * 0.1944% (0.30 1.00 0.02 0.02) = 0.194% HA VAL 65 - HA ILE 29 5.556% * 0.1831% (0.28 1.00 0.02 0.02) = 0.183% HA VAL 73 - HA ILE 29 5.556% * 0.1574% (0.24 1.00 0.02 0.02) = 0.157% HA GLU- 12 - HA ILE 29 5.556% * 0.1214% (0.19 1.00 0.02 0.02) = 0.121% HA GLU- 109 - HA THR 106 5.556% * 0.0530% (0.08 1.00 0.02 0.02) = 0.053% HA GLU- 109 - HA ILE 29 5.556% * 0.0499% (0.08 1.00 0.02 0.02) = 0.050% HA VAL 73 - HA VAL 94 5.556% * 0.0346% (0.05 1.00 0.02 0.02) = 0.035% HA GLU- 109 - HA VAL 94 5.556% * 0.0110% (0.02 1.00 0.02 0.02) = 0.011% Peak 529 (1.87, 4.27, 61.86 ppm): 36 chemical-shift based assignments, quality = 0.586, support = 3.49, residual support = 48.7: * O HB VAL 94 - HA VAL 94 2.778% * 91.2979% (0.60 10.0 3.74 53.31) = 91.298% kept HD3 PRO 52 - HA VAL 94 2.778% * 4.4854% (0.62 1.0 0.95 0.02) = 4.485% kept HG2 GLU- 18 - HA VAL 94 2.778% * 1.7910% (0.17 1.0 1.36 3.64) = 1.791% kept HB3 LYS+ 60 - HA VAL 94 2.778% * 1.2784% (0.39 1.0 0.43 0.02) = 1.278% kept HB3 ARG+ 84 - HA VAL 94 2.778% * 0.0972% (0.64 1.0 0.02 0.02) = 0.097% HD2 PRO 59 - HA VAL 94 2.778% * 0.0944% (0.62 1.0 0.02 0.02) = 0.094% HG3 LYS+ 120 - HA VAL 94 2.778% * 0.0723% (0.48 1.0 0.02 0.02) = 0.072% HB2 PRO 104 - HA VAL 94 2.778% * 0.0681% (0.45 1.0 0.02 0.02) = 0.068% HB3 LYS+ 72 - HA VAL 94 2.778% * 0.0638% (0.42 1.0 0.02 0.02) = 0.064% HB3 ARG+ 84 - HA THR 106 2.778% * 0.0585% (0.39 1.0 0.02 0.02) = 0.059% HD2 PRO 59 - HA THR 106 2.778% * 0.0568% (0.38 1.0 0.02 0.02) = 0.057% HD3 PRO 52 - HA THR 106 2.778% * 0.0568% (0.38 1.0 0.02 0.02) = 0.057% HB VAL 94 - HA THR 106 2.778% * 0.0550% (0.36 1.0 0.02 0.02) = 0.055% HG3 LYS+ 120 - HA THR 106 2.778% * 0.0435% (0.29 1.0 0.02 0.02) = 0.044% HB2 PRO 104 - HA THR 106 2.778% * 0.0410% (0.27 1.0 0.02 0.02) = 0.041% HB3 LYS+ 72 - HA THR 106 2.778% * 0.0384% (0.25 1.0 0.02 0.24) = 0.038% HB3 LYS+ 60 - HA THR 106 2.778% * 0.0359% (0.24 1.0 0.02 0.02) = 0.036% HB3 ARG+ 84 - HA SER 49 2.778% * 0.0303% (0.20 1.0 0.02 0.02) = 0.030% HD2 PRO 59 - HA SER 49 2.778% * 0.0294% (0.19 1.0 0.02 0.02) = 0.029% HD3 PRO 52 - HA SER 49 2.778% * 0.0294% (0.19 1.0 0.02 0.02) = 0.029% HB VAL 94 - HA SER 49 2.778% * 0.0285% (0.19 1.0 0.02 0.02) = 0.028% HB2 LYS+ 66 - HA VAL 94 2.778% * 0.0262% (0.17 1.0 0.02 0.02) = 0.026% HB3 GLN 16 - HA VAL 94 2.778% * 0.0262% (0.17 1.0 0.02 0.02) = 0.026% HG3 LYS+ 120 - HA SER 49 2.778% * 0.0226% (0.15 1.0 0.02 0.02) = 0.023% HG2 PRO 112 - HA VAL 94 2.778% * 0.0214% (0.14 1.0 0.02 0.02) = 0.021% HB2 PRO 104 - HA SER 49 2.778% * 0.0212% (0.14 1.0 0.02 0.02) = 0.021% HB3 LYS+ 72 - HA SER 49 2.778% * 0.0199% (0.13 1.0 0.02 0.02) = 0.020% HB3 LYS+ 60 - HA SER 49 2.778% * 0.0186% (0.12 1.0 0.02 0.02) = 0.019% HG2 GLU- 18 - HA THR 106 2.778% * 0.0158% (0.10 1.0 0.02 0.02) = 0.016% HB3 GLN 16 - HA THR 106 2.778% * 0.0158% (0.10 1.0 0.02 0.23) = 0.016% HB2 LYS+ 66 - HA THR 106 2.778% * 0.0158% (0.10 1.0 0.02 0.02) = 0.016% HG2 PRO 112 - HA THR 106 2.778% * 0.0129% (0.09 1.0 0.02 0.02) = 0.013% HB3 GLN 16 - HA SER 49 2.778% * 0.0082% (0.05 1.0 0.02 0.13) = 0.008% HG2 GLU- 18 - HA SER 49 2.778% * 0.0082% (0.05 1.0 0.02 0.02) = 0.008% HB2 LYS+ 66 - HA SER 49 2.778% * 0.0082% (0.05 1.0 0.02 0.02) = 0.008% HG2 PRO 112 - HA SER 49 2.778% * 0.0067% (0.04 1.0 0.02 0.02) = 0.007% Peak 531 (1.18, 4.31, 62.00 ppm): 10 chemical-shift based assignments, quality = 0.425, support = 2.39, residual support = 18.3: * O T QG2 THR 106 - HA THR 106 10.000% * 98.9524% (0.43 10.0 10.00 2.42 18.53) = 98.952% kept T QG2 THR 106 - HA ILE 29 10.000% * 0.6020% (0.26 1.0 10.00 0.02 0.02) = 0.602% HB2 LEU 74 - HA THR 106 10.000% * 0.1025% (0.44 1.0 1.00 0.02 0.02) = 0.103% HB2 LEU 43 - HA THR 106 10.000% * 0.0907% (0.39 1.0 1.00 0.02 0.02) = 0.091% HG3 PRO 59 - HA THR 106 10.000% * 0.0677% (0.29 1.0 1.00 0.02 0.02) = 0.068% HB2 LEU 74 - HA ILE 29 10.000% * 0.0624% (0.27 1.0 1.00 0.02 0.02) = 0.062% HB2 LEU 43 - HA ILE 29 10.000% * 0.0552% (0.24 1.0 1.00 0.02 0.02) = 0.055% HG3 PRO 59 - HA ILE 29 10.000% * 0.0412% (0.18 1.0 1.00 0.02 0.02) = 0.041% QB ALA 33 - HA THR 106 10.000% * 0.0161% (0.07 1.0 1.00 0.02 0.02) = 0.016% QB ALA 33 - HA ILE 29 10.000% * 0.0098% (0.04 1.0 1.00 0.02 0.02) = 0.010% Peak 533 (0.94, 4.31, 61.90 ppm): 30 chemical-shift based assignments, quality = 0.453, support = 4.39, residual support = 50.5: * O QG2 ILE 29 - HA ILE 29 3.333% * 80.0736% (0.47 10.0 5.17 61.33) = 80.074% kept QD1 LEU 17 - HA ILE 29 3.333% * 5.4652% (0.47 1.0 1.37 17.13) = 5.465% kept QG1 VAL 105 - HA THR 106 3.333% * 5.3291% (0.43 1.0 1.46 4.01) = 5.329% kept QG2 VAL 105 - HA THR 106 3.333% * 5.2192% (0.40 1.0 1.52 4.01) = 5.219% kept QG2 VAL 105 - HA ILE 29 3.333% * 2.3149% (0.45 1.0 0.60 0.38) = 2.315% kept QG2 VAL 62 - HA ILE 29 3.333% * 0.6684% (0.51 1.0 0.15 0.02) = 0.668% QG1 VAL 105 - HA ILE 29 3.333% * 0.0824% (0.48 1.0 0.02 0.38) = 0.082% QG2 VAL 73 - HA ILE 29 3.333% * 0.0824% (0.48 1.0 0.02 0.02) = 0.082% QG2 VAL 62 - HA THR 106 3.333% * 0.0776% (0.45 1.0 0.02 0.02) = 0.078% QG2 VAL 73 - HA THR 106 3.333% * 0.0731% (0.43 1.0 0.02 0.11) = 0.073% QD1 LEU 17 - HA THR 106 3.333% * 0.0710% (0.41 1.0 0.02 0.02) = 0.071% QG2 ILE 29 - HA THR 106 3.333% * 0.0710% (0.41 1.0 0.02 0.02) = 0.071% HG12 ILE 68 - HA ILE 29 3.333% * 0.0542% (0.32 1.0 0.02 0.02) = 0.054% HG12 ILE 68 - HA THR 106 3.333% * 0.0480% (0.28 1.0 0.02 0.02) = 0.048% HG3 LYS+ 110 - HA ILE 29 3.333% * 0.0470% (0.27 1.0 0.02 0.02) = 0.047% QG2 VAL 99 - HA ILE 29 3.333% * 0.0470% (0.27 1.0 0.02 0.02) = 0.047% HG3 LYS+ 110 - HA THR 106 3.333% * 0.0417% (0.24 1.0 0.02 0.02) = 0.042% QG2 VAL 99 - HA THR 106 3.333% * 0.0417% (0.24 1.0 0.02 0.02) = 0.042% QG2 VAL 80 - HA ILE 29 3.333% * 0.0367% (0.21 1.0 0.02 0.02) = 0.037% QG2 VAL 80 - HA THR 106 3.333% * 0.0326% (0.19 1.0 0.02 0.30) = 0.033% QG2 VAL 62 - HA VAL 94 3.333% * 0.0160% (0.09 1.0 0.02 0.02) = 0.016% QG1 VAL 105 - HA VAL 94 3.333% * 0.0151% (0.09 1.0 0.02 0.02) = 0.015% QG2 VAL 73 - HA VAL 94 3.333% * 0.0151% (0.09 1.0 0.02 0.02) = 0.015% QD1 LEU 17 - HA VAL 94 3.333% * 0.0146% (0.09 1.0 0.02 7.19) = 0.015% QG2 ILE 29 - HA VAL 94 3.333% * 0.0146% (0.09 1.0 0.02 0.02) = 0.015% QG2 VAL 105 - HA VAL 94 3.333% * 0.0142% (0.08 1.0 0.02 0.02) = 0.014% HG12 ILE 68 - HA VAL 94 3.333% * 0.0099% (0.06 1.0 0.02 0.02) = 0.010% HG3 LYS+ 110 - HA VAL 94 3.333% * 0.0086% (0.05 1.0 0.02 0.10) = 0.009% QG2 VAL 99 - HA VAL 94 3.333% * 0.0086% (0.05 1.0 0.02 0.02) = 0.009% QG2 VAL 80 - HA VAL 94 3.333% * 0.0067% (0.04 1.0 0.02 0.02) = 0.007% Peak 538 (0.85, 0.84, 20.67 ppm): 1 diagonal assignment: * QG2 VAL 13 - QG2 VAL 13 (0.32) kept Peak 539 (0.71, 0.80, 61.61 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 545 (9.04, 4.31, 61.64 ppm): 9 chemical-shift based assignments, quality = 0.661, support = 2.02, residual support = 11.6: * O HN GLY 30 - HA ILE 29 11.111% * 99.7584% (0.66 10.0 2.02 11.60) = 99.758% kept HN THR 79 - HA ILE 29 11.111% * 0.1110% (0.74 1.0 0.02 0.18) = 0.111% HN THR 79 - HA VAL 94 11.111% * 0.0296% (0.20 1.0 0.02 0.02) = 0.030% HN GLY 30 - HA VAL 94 11.111% * 0.0266% (0.18 1.0 0.02 0.02) = 0.027% HN GLU- 54 - HA ILE 29 11.111% * 0.0254% (0.17 1.0 0.02 0.02) = 0.025% HN THR 79 - HA THR 106 11.111% * 0.0199% (0.13 1.0 0.02 0.02) = 0.020% HN GLY 30 - HA THR 106 11.111% * 0.0179% (0.12 1.0 0.02 0.02) = 0.018% HN GLU- 54 - HA VAL 94 11.111% * 0.0068% (0.05 1.0 0.02 0.02) = 0.007% HN GLU- 54 - HA THR 106 11.111% * 0.0046% (0.03 1.0 0.02 0.02) = 0.005% Peak 546 (8.81, 4.26, 61.69 ppm): 16 chemical-shift based assignments, quality = 0.247, support = 2.41, residual support = 11.0: * O HN LYS+ 60 - HA PRO 59 6.250% * 85.8424% (0.21 10.0 2.74 12.86) = 85.842% kept HN ASN 57 - HA VAL 94 6.250% * 5.4576% (0.82 1.0 0.33 0.02) = 5.458% kept HN LYS+ 32 - HA PRO 59 6.250% * 3.5099% (0.28 1.0 0.63 0.02) = 3.510% kept HN SER 69 - HA VAL 94 6.250% * 2.4414% (0.17 1.0 0.72 0.02) = 2.441% kept HN ASN 57 - HA PRO 59 6.250% * 1.8694% (0.30 1.0 0.31 0.02) = 1.869% kept HN LYS+ 32 - HA VAL 94 6.250% * 0.3083% (0.76 1.0 0.02 0.02) = 0.308% HN LYS+ 60 - HA VAL 94 6.250% * 0.2362% (0.58 1.0 0.02 0.02) = 0.236% HN ASN 57 - HA THR 106 6.250% * 0.0611% (0.15 1.0 0.02 0.02) = 0.061% HN LYS+ 32 - HA THR 106 6.250% * 0.0568% (0.14 1.0 0.02 0.02) = 0.057% HN ASN 57 - HA SER 49 6.250% * 0.0478% (0.12 1.0 0.02 0.02) = 0.048% HN LYS+ 32 - HA SER 49 6.250% * 0.0444% (0.11 1.0 0.02 0.02) = 0.044% HN LYS+ 60 - HA THR 106 6.250% * 0.0435% (0.11 1.0 0.02 0.02) = 0.044% HN LYS+ 60 - HA SER 49 6.250% * 0.0340% (0.08 1.0 0.02 0.02) = 0.034% HN SER 69 - HA PRO 59 6.250% * 0.0247% (0.06 1.0 0.02 0.02) = 0.025% HN SER 69 - HA THR 106 6.250% * 0.0125% (0.03 1.0 0.02 0.02) = 0.013% HN SER 69 - HA SER 49 6.250% * 0.0098% (0.02 1.0 0.02 0.54) = 0.010% Peak 547 (8.23, 4.22, 61.70 ppm): 22 chemical-shift based assignments, quality = 0.419, support = 3.23, residual support = 14.6: * O HN SER 49 - HA SER 49 4.545% * 89.5953% (0.44 10.0 3.45 15.22) = 89.595% kept HN GLY 58 - HA PRO 59 4.545% * 5.5341% (0.23 1.0 2.36 17.89) = 5.534% kept HN GLY 58 - HA SER 49 4.545% * 2.0191% (0.45 1.0 0.44 0.02) = 2.019% kept HN LYS+ 81 - HA SER 49 4.545% * 1.1023% (0.43 1.0 0.25 0.02) = 1.102% kept HN LEU 67 - HA SER 49 4.545% * 0.8746% (0.43 1.0 0.20 0.02) = 0.875% HN GLU- 12 - HA SER 49 4.545% * 0.3554% (0.40 1.0 0.09 0.02) = 0.355% HN VAL 94 - HA SER 49 4.545% * 0.0481% (0.23 1.0 0.02 0.02) = 0.048% HN SER 49 - HA PRO 59 4.545% * 0.0461% (0.23 1.0 0.02 0.02) = 0.046% HN LYS+ 81 - HA PRO 59 4.545% * 0.0454% (0.22 1.0 0.02 0.02) = 0.045% HN LEU 67 - HA PRO 59 4.545% * 0.0454% (0.22 1.0 0.02 0.80) = 0.045% HN VAL 105 - HA SER 49 4.545% * 0.0445% (0.22 1.0 0.02 0.02) = 0.044% HN GLU- 12 - HA PRO 59 4.545% * 0.0422% (0.21 1.0 0.02 0.02) = 0.042% HN THR 106 - HA SER 49 4.545% * 0.0410% (0.20 1.0 0.02 0.45) = 0.041% HN ASP- 115 - HA SER 49 4.545% * 0.0343% (0.17 1.0 0.02 0.02) = 0.034% HN ALA 11 - HA SER 49 4.545% * 0.0312% (0.15 1.0 0.02 0.24) = 0.031% HN GLU- 45 - HA SER 49 4.545% * 0.0254% (0.12 1.0 0.02 4.72) = 0.025% HN VAL 94 - HA PRO 59 4.545% * 0.0248% (0.12 1.0 0.02 0.02) = 0.025% HN VAL 105 - HA PRO 59 4.545% * 0.0229% (0.11 1.0 0.02 0.02) = 0.023% HN THR 106 - HA PRO 59 4.545% * 0.0211% (0.10 1.0 0.02 0.02) = 0.021% HN ASP- 115 - HA PRO 59 4.545% * 0.0177% (0.09 1.0 0.02 0.02) = 0.018% HN ALA 11 - HA PRO 59 4.545% * 0.0161% (0.08 1.0 0.02 0.02) = 0.016% HN GLU- 45 - HA PRO 59 4.545% * 0.0131% (0.06 1.0 0.02 0.02) = 0.013% Peak 549 (4.25, 4.27, 61.64 ppm): 3 diagonal assignments: * HA PRO 59 - HA PRO 59 (0.34) kept HA VAL 94 - HA VAL 94 (0.23) kept HA SER 49 - HA SER 49 (0.03) kept Peak 550 (4.04, 4.23, 61.72 ppm): 12 chemical-shift based assignments, quality = 0.188, support = 2.16, residual support = 14.7: * O T HB2 SER 49 - HA SER 49 8.333% * 54.2153% (0.21 10.0 10.00 2.28 15.22) = 54.215% kept O T HB3 SER 49 - HA SER 49 8.333% * 42.0951% (0.16 10.0 10.00 2.21 15.22) = 42.095% kept T HB3 SER 85 - HA SER 49 8.333% * 1.4318% (0.55 1.0 10.00 0.02 0.02) = 1.432% kept T HB3 SER 85 - HA PRO 59 8.333% * 0.6723% (0.26 1.0 10.00 0.02 0.02) = 0.672% T HA VAL 125 - HA SER 49 8.333% * 0.6476% (0.25 1.0 10.00 0.02 0.02) = 0.648% T HA VAL 125 - HA PRO 59 8.333% * 0.3041% (0.12 1.0 10.00 0.02 0.02) = 0.304% T HB2 SER 49 - HA PRO 59 8.333% * 0.2546% (0.10 1.0 10.00 0.02 0.02) = 0.255% T HB3 SER 49 - HA PRO 59 8.333% * 0.1977% (0.08 1.0 10.00 0.02 0.02) = 0.198% HB THR 38 - HA SER 49 8.333% * 0.0876% (0.34 1.0 1.00 0.02 0.02) = 0.088% HB THR 38 - HA PRO 59 8.333% * 0.0411% (0.16 1.0 1.00 0.02 0.02) = 0.041% HA VAL 13 - HA SER 49 8.333% * 0.0360% (0.14 1.0 1.00 0.02 0.02) = 0.036% HA VAL 13 - HA PRO 59 8.333% * 0.0169% (0.06 1.0 1.00 0.02 0.16) = 0.017% Peak 551 (3.79, 3.78, 61.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 552 (3.34, 4.29, 61.48 ppm): 2 chemical-shift based assignments, quality = 0.231, support = 0.02, residual support = 0.02: HB3 TYR 83 - HA ILE 29 50.000% * 53.6358% (0.25 0.02 0.02) = 53.636% kept HB3 TYR 83 - HA VAL 94 50.000% * 46.3642% (0.21 0.02 0.02) = 46.364% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 553 (2.02, 4.27, 61.68 ppm): 60 chemical-shift based assignments, quality = 0.723, support = 1.52, residual support = 2.72: * T HB2 GLU- 18 - HA VAL 94 1.667% * 69.3826% (0.83 10.00 1.93 3.64) = 69.383% kept T HB3 GLU- 64 - HA VAL 94 1.667% * 14.6433% (0.88 10.00 0.38 0.02) = 14.643% kept T HB3 GLU- 64 - HA PRO 59 1.667% * 4.2175% (0.21 10.00 0.46 0.02) = 4.218% kept T HB3 GLU- 75 - HA PRO 59 1.667% * 3.3927% (0.09 10.00 0.83 0.22) = 3.393% kept HB3 GLU- 107 - HA THR 106 1.667% * 2.6333% (0.22 1.00 2.81 6.73) = 2.633% kept T HB2 GLU- 18 - HA THR 106 1.667% * 0.7879% (0.19 10.00 0.10 0.02) = 0.788% T HB3 GLU- 54 - HA VAL 94 1.667% * 0.6928% (0.80 10.00 0.02 0.02) = 0.693% T HG3 GLU- 64 - HA VAL 94 1.667% * 0.6642% (0.77 10.00 0.02 0.02) = 0.664% T HB2 HIS+ 14 - HA VAL 94 1.667% * 0.6339% (0.73 10.00 0.02 0.02) = 0.634% T HB3 GLU- 75 - HA VAL 94 1.667% * 0.3384% (0.39 10.00 0.02 0.02) = 0.338% T HB3 GLU- 107 - HA PRO 59 1.667% * 0.1988% (0.23 10.00 0.02 0.02) = 0.199% T HB3 GLU- 10 - HA PRO 59 1.667% * 0.1839% (0.21 10.00 0.02 0.02) = 0.184% T HB3 GLU- 64 - HA THR 106 1.667% * 0.1733% (0.20 10.00 0.02 0.02) = 0.173% T HB2 GLU- 18 - HA PRO 59 1.667% * 0.1728% (0.20 10.00 0.02 0.02) = 0.173% T HB3 GLU- 54 - HA PRO 59 1.667% * 0.1664% (0.19 10.00 0.02 0.02) = 0.166% T HG3 GLU- 64 - HA PRO 59 1.667% * 0.1595% (0.18 10.00 0.02 0.02) = 0.160% T HB2 HIS+ 14 - HA PRO 59 1.667% * 0.1523% (0.18 10.00 0.02 0.02) = 0.152% T HG3 GLU- 64 - HA THR 106 1.667% * 0.1504% (0.17 10.00 0.02 0.02) = 0.150% HB3 GLU- 107 - HA VAL 94 1.667% * 0.0828% (0.95 1.00 0.02 0.02) = 0.083% HG2 PRO 116 - HA VAL 94 1.667% * 0.0822% (0.95 1.00 0.02 0.02) = 0.082% HB3 PRO 31 - HA VAL 94 1.667% * 0.0801% (0.92 1.00 0.02 0.02) = 0.080% T HB3 GLU- 75 - HA THR 106 1.667% * 0.0766% (0.09 10.00 0.02 0.02) = 0.077% HB3 GLU- 10 - HA VAL 94 1.667% * 0.0766% (0.88 1.00 0.02 0.02) = 0.077% HG3 PRO 112 - HA VAL 94 1.667% * 0.0693% (0.80 1.00 0.02 0.02) = 0.069% HB3 MET 118 - HA VAL 94 1.667% * 0.0634% (0.73 1.00 0.02 0.02) = 0.063% T HB3 GLU- 107 - HA SER 49 1.667% * 0.0615% (0.07 10.00 0.02 0.02) = 0.062% T HB3 GLU- 64 - HA SER 49 1.667% * 0.0569% (0.07 10.00 0.02 0.80) = 0.057% T HB3 GLU- 10 - HA SER 49 1.667% * 0.0569% (0.07 10.00 0.02 0.02) = 0.057% T HB2 GLU- 18 - HA SER 49 1.667% * 0.0535% (0.06 10.00 0.02 0.02) = 0.053% T HB3 GLU- 54 - HA SER 49 1.667% * 0.0515% (0.06 10.00 0.02 0.02) = 0.051% HG2 PRO 112 - HA VAL 94 1.667% * 0.0493% (0.57 1.00 0.02 0.02) = 0.049% T HB2 HIS+ 14 - HA SER 49 1.667% * 0.0471% (0.05 10.00 0.02 0.02) = 0.047% HB3 LYS+ 110 - HA VAL 94 1.667% * 0.0404% (0.47 1.00 0.02 0.10) = 0.040% T HB3 GLU- 75 - HA SER 49 1.667% * 0.0251% (0.03 10.00 0.02 0.02) = 0.025% HG2 PRO 116 - HA PRO 59 1.667% * 0.0197% (0.23 1.00 0.02 0.02) = 0.020% HB3 PRO 31 - HA PRO 59 1.667% * 0.0192% (0.22 1.00 0.02 0.02) = 0.019% HG2 PRO 116 - HA THR 106 1.667% * 0.0186% (0.21 1.00 0.02 0.02) = 0.019% HB3 PRO 31 - HA THR 106 1.667% * 0.0181% (0.21 1.00 0.02 0.02) = 0.018% HB3 GLU- 10 - HA THR 106 1.667% * 0.0173% (0.20 1.00 0.02 0.02) = 0.017% HG3 PRO 112 - HA PRO 59 1.667% * 0.0166% (0.19 1.00 0.02 0.02) = 0.017% HB3 GLU- 54 - HA THR 106 1.667% * 0.0157% (0.18 1.00 0.02 0.02) = 0.016% HG3 PRO 112 - HA THR 106 1.667% * 0.0157% (0.18 1.00 0.02 0.02) = 0.016% HB3 MET 118 - HA PRO 59 1.667% * 0.0152% (0.18 1.00 0.02 0.02) = 0.015% HG3 PRO 86 - HA VAL 94 1.667% * 0.0145% (0.17 1.00 0.02 0.02) = 0.015% HB2 HIS+ 14 - HA THR 106 1.667% * 0.0144% (0.17 1.00 0.02 0.02) = 0.014% HB3 MET 118 - HA THR 106 1.667% * 0.0144% (0.17 1.00 0.02 0.02) = 0.014% HG2 PRO 112 - HA PRO 59 1.667% * 0.0118% (0.14 1.00 0.02 0.02) = 0.012% HG2 PRO 112 - HA THR 106 1.667% * 0.0112% (0.13 1.00 0.02 0.02) = 0.011% HB3 LYS+ 110 - HA PRO 59 1.667% * 0.0097% (0.11 1.00 0.02 0.02) = 0.010% HB3 LYS+ 110 - HA THR 106 1.667% * 0.0091% (0.11 1.00 0.02 0.02) = 0.009% HG2 PRO 116 - HA SER 49 1.667% * 0.0061% (0.07 1.00 0.02 0.02) = 0.006% HB3 PRO 31 - HA SER 49 1.667% * 0.0059% (0.07 1.00 0.02 0.02) = 0.006% HG3 PRO 112 - HA SER 49 1.667% * 0.0051% (0.06 1.00 0.02 0.02) = 0.005% HG3 GLU- 64 - HA SER 49 1.667% * 0.0049% (0.06 1.00 0.02 0.80) = 0.005% HB3 MET 118 - HA SER 49 1.667% * 0.0047% (0.05 1.00 0.02 0.02) = 0.005% HG2 PRO 112 - HA SER 49 1.667% * 0.0037% (0.04 1.00 0.02 0.02) = 0.004% HG3 PRO 86 - HA PRO 59 1.667% * 0.0035% (0.04 1.00 0.02 0.02) = 0.003% HG3 PRO 86 - HA THR 106 1.667% * 0.0033% (0.04 1.00 0.02 0.02) = 0.003% HB3 LYS+ 110 - HA SER 49 1.667% * 0.0030% (0.03 1.00 0.02 0.02) = 0.003% HG3 PRO 86 - HA SER 49 1.667% * 0.0011% (0.01 1.00 0.02 0.02) = 0.001% Peak 554 (1.96, 4.30, 61.72 ppm): 45 chemical-shift based assignments, quality = 0.276, support = 1.1, residual support = 1.11: T HB3 GLU- 56 - HA VAL 94 2.222% * 68.7440% (0.30 10.00 1.38 1.53) = 68.744% kept T HB2 GLU- 75 - HA VAL 94 2.222% * 10.7464% (0.16 10.00 0.39 0.02) = 10.746% kept HG2 PRO 112 - HA ILE 29 2.222% * 6.8640% (0.38 1.00 1.06 0.85) = 6.864% kept HG3 PRO 31 - HA ILE 29 2.222% * 2.9792% (0.54 1.00 0.33 0.02) = 2.979% kept HB2 PRO 86 - HA VAL 94 2.222% * 2.5891% (0.21 1.00 0.73 0.02) = 2.589% kept HB2 LYS+ 108 - HA VAL 94 2.222% * 1.5001% (0.13 1.00 0.67 0.02) = 1.500% kept T HB3 GLU- 109 - HA VAL 94 2.222% * 1.4240% (0.42 10.00 0.02 0.02) = 1.424% kept HB3 LYS+ 55 - HA VAL 94 2.222% * 0.7188% (0.24 1.00 0.17 0.02) = 0.719% HB3 GLU- 109 - HA ILE 29 2.222% * 0.2940% (0.87 1.00 0.02 0.02) = 0.294% HB VAL 13 - HA ILE 29 2.222% * 0.2769% (0.82 1.00 0.02 0.02) = 0.277% HG3 PRO 116 - HA ILE 29 2.222% * 0.2690% (0.80 1.00 0.02 0.02) = 0.269% HB VAL 73 - HA ILE 29 2.222% * 0.2602% (0.77 1.00 0.02 0.02) = 0.260% HB2 PRO 35 - HA ILE 29 2.222% * 0.2505% (0.74 1.00 0.02 0.02) = 0.251% HG3 PRO 104 - HA ILE 29 2.222% * 0.2402% (0.71 1.00 0.02 0.02) = 0.240% HB3 GLU- 56 - HA ILE 29 2.222% * 0.2060% (0.61 1.00 0.02 0.02) = 0.206% HB3 LYS+ 55 - HA ILE 29 2.222% * 0.1698% (0.50 1.00 0.02 0.02) = 0.170% HB2 PRO 86 - HA ILE 29 2.222% * 0.1460% (0.43 1.00 0.02 0.02) = 0.146% HB VAL 13 - HA VAL 94 2.222% * 0.1341% (0.40 1.00 0.02 0.02) = 0.134% HG3 PRO 116 - HA VAL 94 2.222% * 0.1303% (0.39 1.00 0.02 0.02) = 0.130% HB3 GLU- 109 - HA THR 106 2.222% * 0.1297% (0.38 1.00 0.02 0.02) = 0.130% HB VAL 73 - HA VAL 94 2.222% * 0.1260% (0.37 1.00 0.02 0.02) = 0.126% HB VAL 13 - HA THR 106 2.222% * 0.1221% (0.36 1.00 0.02 0.02) = 0.122% HB2 PRO 35 - HA VAL 94 2.222% * 0.1213% (0.36 1.00 0.02 0.02) = 0.121% HG3 PRO 116 - HA THR 106 2.222% * 0.1187% (0.35 1.00 0.02 0.02) = 0.119% HG3 PRO 104 - HA VAL 94 2.222% * 0.1163% (0.34 1.00 0.02 0.02) = 0.116% HB VAL 73 - HA THR 106 2.222% * 0.1148% (0.34 1.00 0.02 0.11) = 0.115% HB2 GLU- 75 - HA ILE 29 2.222% * 0.1126% (0.33 1.00 0.02 0.02) = 0.113% HB2 PRO 35 - HA THR 106 2.222% * 0.1105% (0.33 1.00 0.02 0.02) = 0.111% HG3 PRO 104 - HA THR 106 2.222% * 0.1059% (0.31 1.00 0.02 0.02) = 0.106% HB2 LYS+ 108 - HA ILE 29 2.222% * 0.0926% (0.27 1.00 0.02 0.02) = 0.093% HB3 GLU- 56 - HA THR 106 2.222% * 0.0909% (0.27 1.00 0.02 0.02) = 0.091% HG3 PRO 31 - HA VAL 94 2.222% * 0.0881% (0.26 1.00 0.02 0.02) = 0.088% HG3 PRO 31 - HA THR 106 2.222% * 0.0802% (0.24 1.00 0.02 0.02) = 0.080% HB3 LYS+ 55 - HA THR 106 2.222% * 0.0749% (0.22 1.00 0.02 0.02) = 0.075% HB2 PRO 86 - HA THR 106 2.222% * 0.0644% (0.19 1.00 0.02 0.02) = 0.064% HG2 PRO 112 - HA VAL 94 2.222% * 0.0627% (0.19 1.00 0.02 0.02) = 0.063% HG2 PRO 112 - HA THR 106 2.222% * 0.0571% (0.17 1.00 0.02 0.02) = 0.057% HB2 GLU- 75 - HA THR 106 2.222% * 0.0497% (0.15 1.00 0.02 0.02) = 0.050% HB2 GLU- 10 - HA ILE 29 2.222% * 0.0463% (0.14 1.00 0.02 0.02) = 0.046% HB2 PRO 116 - HA ILE 29 2.222% * 0.0463% (0.14 1.00 0.02 0.02) = 0.046% HB2 LYS+ 108 - HA THR 106 2.222% * 0.0408% (0.12 1.00 0.02 0.02) = 0.041% HB2 GLU- 10 - HA VAL 94 2.222% * 0.0224% (0.07 1.00 0.02 0.02) = 0.022% HB2 PRO 116 - HA VAL 94 2.222% * 0.0224% (0.07 1.00 0.02 0.02) = 0.022% HB2 GLU- 10 - HA THR 106 2.222% * 0.0204% (0.06 1.00 0.02 0.02) = 0.020% HB2 PRO 116 - HA THR 106 2.222% * 0.0204% (0.06 1.00 0.02 0.02) = 0.020% Peak 555 (1.04, 0.89, 20.35 ppm): 1 chemical-shift based assignment, quality = 0.539, support = 0.02, residual support = 0.02: HG3 LYS+ 20 - QG2 VAL 125 100.000% *100.0000% (0.54 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 556 (0.87, 2.09, 20.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 557 (0.84, 4.27, 61.72 ppm): 32 chemical-shift based assignments, quality = 0.289, support = 3.4, residual support = 37.7: * O T QG1 VAL 94 - HA VAL 94 3.125% * 66.6171% (0.34 10.0 10.00 4.29 53.31) = 66.617% kept T QD2 LEU 17 - HA VAL 94 3.125% * 30.6123% (0.18 1.0 10.00 1.74 7.19) = 30.612% kept QG1 VAL 13 - HA VAL 94 3.125% * 1.4336% (0.58 1.0 1.00 0.25 0.02) = 1.434% kept QG2 VAL 13 - HA VAL 94 3.125% * 0.1771% (0.90 1.0 1.00 0.02 0.02) = 0.177% T QG1 VAL 94 - HA THR 106 3.125% * 0.1612% (0.08 1.0 10.00 0.02 0.02) = 0.161% HG2 LYS+ 117 - HA VAL 94 3.125% * 0.1540% (0.78 1.0 1.00 0.02 0.02) = 0.154% QD1 ILE 29 - HA VAL 94 3.125% * 0.1148% (0.58 1.0 1.00 0.02 0.02) = 0.115% T QD2 LEU 17 - HA THR 106 3.125% * 0.0850% (0.04 1.0 10.00 0.02 0.02) = 0.085% QD1 LEU 90 - HA VAL 94 3.125% * 0.0796% (0.41 1.0 1.00 0.02 0.02) = 0.080% QG2 ILE 100 - HA VAL 94 3.125% * 0.0730% (0.37 1.0 1.00 0.02 0.02) = 0.073% QG2 VAL 13 - HA PRO 59 3.125% * 0.0449% (0.23 1.0 1.00 0.02 0.16) = 0.045% QG2 VAL 13 - HA THR 106 3.125% * 0.0429% (0.22 1.0 1.00 0.02 0.02) = 0.043% HG2 LYS+ 117 - HA PRO 59 3.125% * 0.0391% (0.20 1.0 1.00 0.02 0.02) = 0.039% HG2 LYS+ 117 - HA THR 106 3.125% * 0.0373% (0.19 1.0 1.00 0.02 0.02) = 0.037% QG1 VAL 13 - HA PRO 59 3.125% * 0.0291% (0.15 1.0 1.00 0.02 0.16) = 0.029% QD1 ILE 29 - HA PRO 59 3.125% * 0.0291% (0.15 1.0 1.00 0.02 0.02) = 0.029% QD1 ILE 29 - HA THR 106 3.125% * 0.0278% (0.14 1.0 1.00 0.02 0.02) = 0.028% QG1 VAL 13 - HA THR 106 3.125% * 0.0278% (0.14 1.0 1.00 0.02 0.02) = 0.028% QG2 VAL 13 - HA SER 49 3.125% * 0.0245% (0.12 1.0 1.00 0.02 0.02) = 0.025% HG2 LYS+ 117 - HA SER 49 3.125% * 0.0213% (0.11 1.0 1.00 0.02 0.55) = 0.021% QD1 LEU 90 - HA PRO 59 3.125% * 0.0202% (0.10 1.0 1.00 0.02 0.02) = 0.020% QD1 LEU 90 - HA THR 106 3.125% * 0.0193% (0.10 1.0 1.00 0.02 0.02) = 0.019% QG2 ILE 100 - HA PRO 59 3.125% * 0.0185% (0.09 1.0 1.00 0.02 0.02) = 0.019% QG2 ILE 100 - HA THR 106 3.125% * 0.0177% (0.09 1.0 1.00 0.02 0.02) = 0.018% QG1 VAL 94 - HA PRO 59 3.125% * 0.0169% (0.09 1.0 1.00 0.02 0.02) = 0.017% QD1 ILE 29 - HA SER 49 3.125% * 0.0159% (0.08 1.0 1.00 0.02 0.02) = 0.016% QG1 VAL 13 - HA SER 49 3.125% * 0.0159% (0.08 1.0 1.00 0.02 0.02) = 0.016% QD1 LEU 90 - HA SER 49 3.125% * 0.0110% (0.06 1.0 1.00 0.02 0.02) = 0.011% QG2 ILE 100 - HA SER 49 3.125% * 0.0101% (0.05 1.0 1.00 0.02 1.46) = 0.010% QG1 VAL 94 - HA SER 49 3.125% * 0.0092% (0.05 1.0 1.00 0.02 0.02) = 0.009% QD2 LEU 17 - HA PRO 59 3.125% * 0.0089% (0.05 1.0 1.00 0.02 0.02) = 0.009% QD2 LEU 17 - HA SER 49 3.125% * 0.0049% (0.02 1.0 1.00 0.02 0.02) = 0.005% Peak 558 (0.70, 4.26, 61.76 ppm): 48 chemical-shift based assignments, quality = 0.469, support = 2.25, residual support = 25.9: * O T QG2 VAL 94 - HA VAL 94 2.083% * 46.2022% (0.51 10.0 10.00 3.95 53.31) = 46.202% kept T QG2 THR 96 - HA VAL 94 2.083% * 15.1075% (0.81 1.0 10.00 0.41 0.56) = 15.107% kept T QG2 ILE 101 - HA SER 49 2.083% * 6.3613% (0.18 1.0 10.00 0.77 2.53) = 6.361% kept T QG2 ILE 101 - HA PRO 59 2.083% * 6.1507% (0.18 1.0 10.00 0.74 1.80) = 6.151% kept T QG1 VAL 65 - HA SER 49 2.083% * 4.7970% (0.18 1.0 10.00 0.58 0.10) = 4.797% kept T QG2 THR 96 - HA PRO 59 2.083% * 4.1557% (0.18 1.0 10.00 0.52 0.02) = 4.156% kept QG2 ILE 48 - HA VAL 94 2.083% * 3.3829% (0.79 1.0 1.00 0.94 0.02) = 3.383% kept QD1 ILE 19 - HA VAL 94 2.083% * 3.1465% (0.58 1.0 1.00 1.20 0.38) = 3.146% kept QG2 ILE 48 - HA SER 49 2.083% * 3.1153% (0.17 1.0 1.00 3.98 28.98) = 3.115% kept HG12 ILE 19 - HA VAL 94 2.083% * 1.9667% (0.48 1.0 1.00 0.91 0.38) = 1.967% kept T QG2 ILE 68 - HA SER 49 2.083% * 1.5852% (0.11 1.0 10.00 0.31 1.95) = 1.585% kept T QG2 THR 96 - HA SER 49 2.083% * 1.3443% (0.18 1.0 10.00 0.17 0.02) = 1.344% kept QG2 ILE 101 - HA VAL 94 2.083% * 1.0248% (0.84 1.0 1.00 0.27 0.02) = 1.025% kept T QG2 ILE 68 - HA PRO 59 2.083% * 0.5789% (0.11 1.0 10.00 0.11 0.21) = 0.579% T QG2 THR 96 - HA THR 106 2.083% * 0.2157% (0.24 1.0 10.00 0.02 0.02) = 0.216% T QG2 VAL 94 - HA THR 106 2.083% * 0.1356% (0.15 1.0 10.00 0.02 0.02) = 0.136% T QG1 VAL 40 - HA VAL 94 2.083% * 0.1334% (0.15 1.0 10.00 0.02 0.02) = 0.133% T QG2 VAL 94 - HA PRO 59 2.083% * 0.1013% (0.11 1.0 10.00 0.02 0.02) = 0.101% QG1 VAL 65 - HA VAL 94 2.083% * 0.0760% (0.84 1.0 1.00 0.02 0.02) = 0.076% QG2 ILE 68 - HA VAL 94 2.083% * 0.0462% (0.51 1.0 1.00 0.02 0.02) = 0.046% HG LEU 74 - HA VAL 94 2.083% * 0.0401% (0.44 1.0 1.00 0.02 0.02) = 0.040% T QG1 VAL 40 - HA THR 106 2.083% * 0.0391% (0.04 1.0 10.00 0.02 0.02) = 0.039% T QG1 VAL 40 - HA PRO 59 2.083% * 0.0292% (0.03 1.0 10.00 0.02 0.92) = 0.029% QG2 ILE 101 - HA THR 106 2.083% * 0.0224% (0.25 1.0 1.00 0.02 0.02) = 0.022% QG1 VAL 65 - HA THR 106 2.083% * 0.0223% (0.25 1.0 1.00 0.02 0.02) = 0.022% QG2 ILE 48 - HA THR 106 2.083% * 0.0211% (0.23 1.0 1.00 0.02 0.02) = 0.021% QG1 VAL 65 - HA PRO 59 2.083% * 0.0167% (0.18 1.0 1.00 0.02 0.02) = 0.017% QG2 ILE 48 - HA PRO 59 2.083% * 0.0157% (0.17 1.0 1.00 0.02 0.02) = 0.016% QD1 ILE 19 - HA THR 106 2.083% * 0.0154% (0.17 1.0 1.00 0.02 0.02) = 0.015% QG2 ILE 68 - HA THR 106 2.083% * 0.0136% (0.15 1.0 1.00 0.02 0.02) = 0.014% HG12 ILE 19 - HA THR 106 2.083% * 0.0127% (0.14 1.0 1.00 0.02 0.02) = 0.013% HG LEU 74 - HA THR 106 2.083% * 0.0118% (0.13 1.0 1.00 0.02 0.02) = 0.012% QG1 VAL 62 - HA VAL 94 2.083% * 0.0118% (0.13 1.0 1.00 0.02 0.02) = 0.012% QD1 ILE 68 - HA VAL 94 2.083% * 0.0118% (0.13 1.0 1.00 0.02 0.02) = 0.012% QD1 ILE 19 - HA PRO 59 2.083% * 0.0115% (0.13 1.0 1.00 0.02 0.02) = 0.011% QD1 ILE 19 - HA SER 49 2.083% * 0.0114% (0.13 1.0 1.00 0.02 0.02) = 0.011% QG2 VAL 94 - HA SER 49 2.083% * 0.0101% (0.11 1.0 1.00 0.02 0.02) = 0.010% HG12 ILE 19 - HA PRO 59 2.083% * 0.0095% (0.10 1.0 1.00 0.02 0.02) = 0.009% HG12 ILE 19 - HA SER 49 2.083% * 0.0094% (0.10 1.0 1.00 0.02 0.02) = 0.009% HG LEU 74 - HA PRO 59 2.083% * 0.0088% (0.10 1.0 1.00 0.02 1.54) = 0.009% HG LEU 74 - HA SER 49 2.083% * 0.0087% (0.10 1.0 1.00 0.02 0.71) = 0.009% QG1 VAL 62 - HA THR 106 2.083% * 0.0034% (0.04 1.0 1.00 0.02 0.02) = 0.003% QD1 ILE 68 - HA THR 106 2.083% * 0.0034% (0.04 1.0 1.00 0.02 0.02) = 0.003% QG1 VAL 40 - HA SER 49 2.083% * 0.0029% (0.03 1.0 1.00 0.02 0.02) = 0.003% QG1 VAL 62 - HA PRO 59 2.083% * 0.0026% (0.03 1.0 1.00 0.02 0.02) = 0.003% QD1 ILE 68 - HA PRO 59 2.083% * 0.0026% (0.03 1.0 1.00 0.02 0.21) = 0.003% QG1 VAL 62 - HA SER 49 2.083% * 0.0026% (0.03 1.0 1.00 0.02 0.02) = 0.003% QD1 ILE 68 - HA SER 49 2.083% * 0.0026% (0.03 1.0 1.00 0.02 1.95) = 0.003% Peak 559 (0.60, 0.86, 20.27 ppm): 3 chemical-shift based assignments, quality = 0.215, support = 0.203, residual support = 0.0832: QG2 ILE 48 - QG2 VAL 125 33.333% * 42.4234% (0.16 0.30 0.17) = 42.423% kept QG2 VAL 122 - QG2 VAL 125 33.333% * 33.3699% (0.22 0.17 0.02) = 33.370% kept QD1 LEU 23 - QG2 VAL 125 33.333% * 24.2066% (0.30 0.09 0.02) = 24.207% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 560 (0.24, 0.88, 20.23 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 561 (8.99, 1.14, 19.88 ppm): 2 chemical-shift based assignments, quality = 0.16, support = 2.56, residual support = 2.69: * HN ILE 19 - QB ALA 33 50.000% * 98.6463% (0.16 2.60 2.73) = 98.646% kept HN MET 97 - QB ALA 33 50.000% * 1.3537% (0.06 0.09 0.02) = 1.354% kept Not enough quality. Peak unassigned. Peak 562 (8.78, 1.15, 19.89 ppm): 4 chemical-shift based assignments, quality = 0.206, support = 2.32, residual support = 7.5: * HN PHE 34 - QB ALA 33 25.000% * 97.2366% (0.21 2.39 7.72) = 97.237% kept HN THR 95 - QB ALA 33 25.000% * 1.1909% (0.30 0.02 0.02) = 1.191% kept HN SER 69 - QB ALA 33 25.000% * 1.0081% (0.25 0.02 0.02) = 1.008% kept HN VAL 62 - QB ALA 33 25.000% * 0.5644% (0.14 0.02 0.02) = 0.564% Peak 563 (8.20, 1.14, 19.89 ppm): 7 chemical-shift based assignments, quality = 0.245, support = 3.11, residual support = 9.93: * O HN ALA 33 - QB ALA 33 14.286% * 96.8261% (0.25 10.0 3.16 10.21) = 96.826% kept HN GLN 16 - QB ALA 33 14.286% * 1.4996% (0.04 1.0 1.83 2.54) = 1.500% kept HN SER 49 - QB ALA 33 14.286% * 1.3035% (0.05 1.0 1.23 0.32) = 1.304% kept HN GLU- 45 - QB ALA 33 14.286% * 0.1084% (0.28 1.0 0.02 0.02) = 0.108% HN ALA 11 - QB ALA 33 14.286% * 0.1010% (0.26 1.0 0.02 0.02) = 0.101% HN VAL 105 - QB ALA 33 14.286% * 0.0831% (0.22 1.0 0.02 0.02) = 0.083% HN VAL 94 - QB ALA 33 14.286% * 0.0782% (0.20 1.0 0.02 0.02) = 0.078% Peak 564 (4.95, 1.14, 19.89 ppm): 4 chemical-shift based assignments, quality = 0.218, support = 2.04, residual support = 9.45: * O HA ALA 33 - QB ALA 33 25.000% * 92.4221% (0.21 10.0 2.10 10.21) = 92.422% kept HA ILE 101 - QB ALA 33 25.000% * 7.3830% (0.27 1.0 1.27 0.20) = 7.383% kept HA HIS+ 98 - QB ALA 33 25.000% * 0.1345% (0.31 1.0 0.02 0.02) = 0.135% HA MET 97 - QB ALA 33 25.000% * 0.0603% (0.14 1.0 0.02 0.02) = 0.060% Peak 565 (4.49, 1.15, 19.90 ppm): 8 chemical-shift based assignments, quality = 0.265, support = 1.86, residual support = 13.2: * HA LYS+ 32 - QB ALA 33 12.500% * 74.9976% (0.30 2.17 17.04) = 74.998% kept HA GLN 102 - QB ALA 33 12.500% * 21.8815% (0.18 1.08 1.77) = 21.882% kept HA CYS 123 - QB ALA 33 12.500% * 0.7120% (0.31 0.02 0.02) = 0.712% HA SER 77 - QB ALA 33 12.500% * 0.7120% (0.31 0.02 0.02) = 0.712% HA MET 126 - QB ALA 33 12.500% * 0.5601% (0.24 0.02 0.02) = 0.560% HB THR 79 - QB ALA 33 12.500% * 0.4678% (0.20 0.02 0.02) = 0.468% HA ILE 100 - QB ALA 33 12.500% * 0.4058% (0.18 0.02 0.02) = 0.406% HA LYS+ 55 - QB ALA 33 12.500% * 0.2631% (0.11 0.02 0.02) = 0.263% Peak 566 (4.32, 1.38, 19.93 ppm): 18 chemical-shift based assignments, quality = 0.564, support = 1.26, residual support = 5.48: * O T HA ALA 93 - QB ALA 93 5.556% * 96.1122% (0.58 10.0 10.00 1.31 5.71) = 96.112% kept T HA ALA 93 - QB ALA 11 5.556% * 2.2373% (0.22 1.0 10.00 0.13 0.02) = 2.237% kept T HA ILE 29 - QB ALA 93 5.556% * 0.8892% (0.54 1.0 10.00 0.02 0.02) = 0.889% T HA ALA 93 - QB ALA 37 5.556% * 0.2884% (0.17 1.0 10.00 0.02 0.02) = 0.288% T HA ILE 29 - QB ALA 37 5.556% * 0.2669% (0.16 1.0 10.00 0.02 0.02) = 0.267% HA ASP- 36 - QB ALA 93 5.556% * 0.0432% (0.26 1.0 1.00 0.02 0.02) = 0.043% HA ILE 29 - QB ALA 11 5.556% * 0.0330% (0.20 1.0 1.00 0.02 0.02) = 0.033% HA CYS 121 - QB ALA 93 5.556% * 0.0240% (0.15 1.0 1.00 0.02 0.02) = 0.024% HA THR 106 - QB ALA 93 5.556% * 0.0214% (0.13 1.0 1.00 0.02 0.02) = 0.021% HA ASP- 36 - QB ALA 11 5.556% * 0.0160% (0.10 1.0 1.00 0.02 0.02) = 0.016% HB3 CYS 121 - QB ALA 93 5.556% * 0.0149% (0.09 1.0 1.00 0.02 0.02) = 0.015% HA ASP- 36 - QB ALA 37 5.556% * 0.0130% (0.08 1.0 1.00 0.02 21.57) = 0.013% HA CYS 121 - QB ALA 11 5.556% * 0.0089% (0.05 1.0 1.00 0.02 0.02) = 0.009% HA THR 106 - QB ALA 11 5.556% * 0.0080% (0.05 1.0 1.00 0.02 0.02) = 0.008% HA CYS 121 - QB ALA 37 5.556% * 0.0072% (0.04 1.0 1.00 0.02 0.02) = 0.007% HA THR 106 - QB ALA 37 5.556% * 0.0064% (0.04 1.0 1.00 0.02 0.02) = 0.006% HB3 CYS 121 - QB ALA 11 5.556% * 0.0055% (0.03 1.0 1.00 0.02 0.02) = 0.006% HB3 CYS 121 - QB ALA 37 5.556% * 0.0045% (0.03 1.0 1.00 0.02 0.02) = 0.004% Peak 567 (3.86, 3.85, 61.37 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 568 (3.53, 3.52, 61.26 ppm): 1 diagonal assignment: * HA LYS+ 44 - HA LYS+ 44 (0.95) kept Peak 569 (2.14, 3.52, 61.29 ppm): 10 chemical-shift based assignments, quality = 0.715, support = 2.88, residual support = 13.1: * T HB VAL 47 - HA LYS+ 44 10.000% * 50.5827% (0.78 10.00 3.44 21.28) = 50.583% kept T HB3 GLU- 75 - HA LYS+ 44 10.000% * 42.7418% (0.66 10.00 2.30 3.27) = 42.742% kept HG2 GLU- 45 - HA LYS+ 44 10.000% * 5.3185% (0.57 1.00 2.90 16.90) = 5.319% kept HG2 PRO 112 - HA LYS+ 44 10.000% * 1.0510% (0.86 1.00 0.37 0.27) = 1.051% kept T HB2 GLU- 56 - HA LYS+ 44 10.000% * 0.1348% (0.21 10.00 0.02 0.02) = 0.135% HB3 LYS+ 78 - HA LYS+ 44 10.000% * 0.0573% (0.88 1.00 0.02 0.02) = 0.057% HB2 ASP- 28 - HA LYS+ 44 10.000% * 0.0543% (0.84 1.00 0.02 0.02) = 0.054% HB VAL 105 - HA LYS+ 44 10.000% * 0.0249% (0.38 1.00 0.02 0.11) = 0.025% HG2 PRO 104 - HA LYS+ 44 10.000% * 0.0227% (0.35 1.00 0.02 0.02) = 0.023% HB VAL 87 - HA LYS+ 44 10.000% * 0.0120% (0.18 1.00 0.02 0.02) = 0.012% Peak 570 (1.89, 1.15, 19.91 ppm): 12 chemical-shift based assignments, quality = 0.337, support = 2.26, residual support = 5.66: * HG2 GLU- 18 - QB ALA 33 8.333% * 60.6150% (0.36 3.18 8.16) = 60.615% kept HB3 GLN 16 - QB ALA 33 8.333% * 21.3785% (0.36 1.12 2.54) = 21.378% kept HB3 GLN 102 - QB ALA 33 8.333% * 9.5747% (0.24 0.76 1.77) = 9.575% kept HB3 CYS 123 - QB ALA 33 8.333% * 4.6145% (0.36 0.24 0.02) = 4.615% kept HB3 ARG+ 84 - QB ALA 33 8.333% * 2.0599% (0.13 0.31 0.02) = 2.060% kept HG2 PRO 112 - QB ALA 33 8.333% * 0.4491% (0.10 0.09 0.02) = 0.449% HB3 ARG+ 53 - QB ALA 33 8.333% * 0.3483% (0.33 0.02 0.02) = 0.348% HB2 PRO 112 - QB ALA 33 8.333% * 0.3181% (0.30 0.02 0.02) = 0.318% HG3 LYS+ 120 - QB ALA 33 8.333% * 0.2356% (0.22 0.02 0.02) = 0.236% HD3 LYS+ 63 - QB ALA 33 8.333% * 0.1741% (0.16 0.02 0.02) = 0.174% HD3 PRO 52 - QB ALA 33 8.333% * 0.1458% (0.14 0.02 0.02) = 0.146% HB2 LEU 23 - QB ALA 33 8.333% * 0.0865% (0.08 0.02 0.02) = 0.086% Peak 571 (1.68, 1.41, 19.78 ppm): 9 chemical-shift based assignments, quality = 0.56, support = 0.02, residual support = 0.0271: T HB ILE 100 - QB ALA 93 11.111% * 44.6785% (0.39 10.00 0.02 0.02) = 44.679% kept HD3 LYS+ 55 - QB ALA 93 11.111% * 9.9655% (0.88 1.00 0.02 0.02) = 9.966% kept HG13 ILE 19 - QB ALA 93 11.111% * 9.7682% (0.86 1.00 0.02 0.02) = 9.768% kept HG2 PRO 52 - QB ALA 93 11.111% * 8.9374% (0.79 1.00 0.02 0.02) = 8.937% kept HB3 LYS+ 81 - QB ALA 93 11.111% * 7.9798% (0.70 1.00 0.02 0.11) = 7.980% kept HB3 MET 126 - QB ALA 93 11.111% * 6.4467% (0.57 1.00 0.02 0.02) = 6.447% kept HB3 MET 97 - QB ALA 93 11.111% * 5.6420% (0.50 1.00 0.02 0.02) = 5.642% kept HB3 LYS+ 66 - QB ALA 93 11.111% * 4.0969% (0.36 1.00 0.02 0.02) = 4.097% kept HG3 ARG+ 84 - QB ALA 93 11.111% * 2.4849% (0.22 1.00 0.02 0.02) = 2.485% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 572 (1.76, 1.15, 20.01 ppm): 11 chemical-shift based assignments, quality = 0.449, support = 1.36, residual support = 3.45: HB3 GLU- 18 - QB ALA 33 9.091% * 38.0703% (0.51 1.81 8.16) = 38.070% kept HB2 LEU 17 - QB ALA 33 9.091% * 28.0992% (0.48 1.40 0.69) = 28.099% kept HB ILE 48 - QB ALA 33 9.091% * 13.2157% (0.20 1.63 1.10) = 13.216% kept HD3 PRO 59 - QB ALA 33 9.091% * 6.3344% (0.57 0.27 0.02) = 6.334% kept HB2 ARG+ 84 - QB ALA 33 9.091% * 5.9173% (0.46 0.31 0.02) = 5.917% kept HG2 ARG+ 84 - QB ALA 33 9.091% * 5.4870% (0.48 0.27 0.02) = 5.487% kept HG2 PRO 31 - QB ALA 33 9.091% * 1.9137% (0.22 0.21 0.02) = 1.914% kept HG3 ARG+ 53 - QB ALA 33 9.091% * 0.2757% (0.33 0.02 0.02) = 0.276% HB2 LYS+ 117 - QB ALA 33 9.091% * 0.2551% (0.31 0.02 0.02) = 0.255% HB3 LEU 23 - QB ALA 33 9.091% * 0.2350% (0.28 0.02 0.02) = 0.235% HG3 LYS+ 63 - QB ALA 33 9.091% * 0.1967% (0.24 0.02 0.02) = 0.197% Peak 573 (1.62, 4.25, 61.41 ppm): 20 chemical-shift based assignments, quality = 0.548, support = 0.0197, residual support = 0.183: T HG12 ILE 101 - HA VAL 94 5.000% * 17.4048% (0.19 10.00 0.02 0.02) = 17.405% kept HB ILE 68 - HA PRO 59 5.000% * 8.3271% (0.89 1.00 0.02 0.21) = 8.327% kept HG LEU 43 - HA PRO 59 5.000% * 8.3271% (0.89 1.00 0.02 0.02) = 8.327% kept HB VAL 122 - HA PRO 59 5.000% * 8.3271% (0.89 1.00 0.02 0.02) = 8.327% kept HG12 ILE 101 - HA PRO 59 5.000% * 8.2718% (0.89 1.00 0.02 1.80) = 8.272% kept HG LEU 23 - HA PRO 59 5.000% * 8.0541% (0.86 1.00 0.02 0.02) = 8.054% kept T HB3 PRO 52 - HA VAL 94 5.000% * 7.8728% (0.08 10.00 0.02 0.02) = 7.873% kept HG3 LYS+ 78 - HA PRO 59 5.000% * 7.7040% (0.83 1.00 0.02 0.02) = 7.704% kept HG2 LYS+ 110 - HA PRO 59 5.000% * 5.0619% (0.54 1.00 0.02 0.02) = 5.062% kept HB3 PRO 52 - HA PRO 59 5.000% * 3.7416% (0.40 1.00 0.02 0.02) = 3.742% kept HG2 ARG+ 22 - HA PRO 59 5.000% * 3.4310% (0.37 1.00 0.02 0.02) = 3.431% kept HD3 LYS+ 32 - HA PRO 59 5.000% * 2.5759% (0.28 1.00 0.02 0.02) = 2.576% kept HG LEU 43 - HA VAL 94 5.000% * 1.7521% (0.19 1.00 0.02 0.02) = 1.752% kept HB VAL 122 - HA VAL 94 5.000% * 1.7521% (0.19 1.00 0.02 0.02) = 1.752% kept HB ILE 68 - HA VAL 94 5.000% * 1.7521% (0.19 1.00 0.02 0.02) = 1.752% kept HG LEU 23 - HA VAL 94 5.000% * 1.6947% (0.18 1.00 0.02 0.02) = 1.695% kept HG3 LYS+ 78 - HA VAL 94 5.000% * 1.6210% (0.17 1.00 0.02 0.02) = 1.621% kept HG2 LYS+ 110 - HA VAL 94 5.000% * 1.0651% (0.11 1.00 0.02 0.10) = 1.065% kept HG2 ARG+ 22 - HA VAL 94 5.000% * 0.7219% (0.08 1.00 0.02 0.02) = 0.722% HD3 LYS+ 32 - HA VAL 94 5.000% * 0.5420% (0.06 1.00 0.02 0.02) = 0.542% Not enough support, support cutoff is 0.27 Peak unassigned. Peak 574 (1.41, 4.32, 61.41 ppm): 14 chemical-shift based assignments, quality = 0.193, support = 0.376, residual support = 6.5: HG3 ARG+ 22 - HA ILE 29 7.143% * 31.0196% (0.18 0.60 20.80) = 31.020% kept HD3 LYS+ 20 - HA ILE 29 7.143% * 23.4742% (0.20 0.42 0.14) = 23.474% kept QB ALA 91 - HA ILE 29 7.143% * 11.3392% (0.27 0.15 0.11) = 11.339% kept HG LEU 90 - HA ILE 29 7.143% * 10.9938% (0.08 0.46 0.02) = 10.994% kept HG13 ILE 68 - HA ILE 29 7.143% * 5.9397% (0.07 0.32 0.02) = 5.940% kept HD3 LYS+ 113 - HA ILE 29 7.143% * 4.4328% (0.20 0.08 0.02) = 4.433% kept QB ALA 37 - HA ILE 29 7.143% * 2.1136% (0.37 0.02 0.02) = 2.114% kept HG LEU 67 - HA ILE 29 7.143% * 1.9124% (0.34 0.02 0.02) = 1.912% kept QB ALA 93 - HA ILE 29 7.143% * 1.8497% (0.33 0.02 0.02) = 1.850% kept HG13 ILE 100 - HA ILE 29 7.143% * 1.8497% (0.33 0.02 0.02) = 1.850% kept HD3 LYS+ 44 - HA ILE 29 7.143% * 1.7812% (0.31 0.02 0.02) = 1.781% kept QG2 THR 38 - HA ILE 29 7.143% * 1.3795% (0.24 0.02 0.02) = 1.379% kept HG3 LYS+ 55 - HA ILE 29 7.143% * 1.0380% (0.18 0.02 0.02) = 1.038% kept HG3 LYS+ 113 - HA ILE 29 7.143% * 0.8767% (0.15 0.02 0.02) = 0.877% Peak 575 (1.32, 1.16, 19.85 ppm): 4 chemical-shift based assignments, quality = 0.161, support = 0.472, residual support = 0.864: QG2 THR 46 - QB ALA 33 25.000% * 41.6673% (0.19 0.48 0.17) = 41.667% kept HB2 ARG+ 22 - QB ALA 33 25.000% * 37.1601% (0.17 0.49 2.07) = 37.160% kept QB ALA 103 - QB ALA 33 25.000% * 20.6838% (0.10 0.45 0.11) = 20.684% kept HB2 LYS+ 55 - QB ALA 33 25.000% * 0.4888% (0.05 0.02 0.02) = 0.489% Not enough quality. Peak unassigned. Peak 576 (1.23, 1.23, 19.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 577 (1.15, 1.14, 19.89 ppm): 1 diagonal assignment: * QB ALA 33 - QB ALA 33 (0.31) kept Peak 578 (1.03, 1.02, 20.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 579 (0.86, 1.15, 19.88 ppm): 6 chemical-shift based assignments, quality = 0.232, support = 0.0736, residual support = 0.02: QG2 ILE 100 - QB ALA 33 16.667% * 61.8890% (0.28 0.10 0.02) = 61.889% kept QD1 LEU 90 - QB ALA 33 16.667% * 12.7983% (0.28 0.02 0.02) = 12.798% kept QG1 VAL 80 - QB ALA 33 16.667% * 10.7849% (0.06 0.08 0.02) = 10.785% kept QG2 VAL 125 - QB ALA 33 16.667% * 6.7335% (0.15 0.02 0.02) = 6.733% kept QG2 VAL 13 - QB ALA 33 16.667% * 5.2615% (0.11 0.02 0.02) = 5.262% kept HG2 LYS+ 117 - QB ALA 33 16.667% * 2.5328% (0.06 0.02 0.02) = 2.533% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 581 (0.75, 3.52, 61.28 ppm): 6 chemical-shift based assignments, quality = 0.624, support = 3.39, residual support = 51.8: * O HG3 LYS+ 44 - HA LYS+ 44 16.667% * 91.9457% (0.64 10.0 3.56 56.31) = 91.946% kept QG2 ILE 48 - HA LYS+ 44 16.667% * 5.4443% (0.39 1.0 1.96 0.51) = 5.444% kept QD1 ILE 68 - HA LYS+ 44 16.667% * 1.5129% (0.32 1.0 0.66 0.17) = 1.513% kept HG3 LYS+ 66 - HA LYS+ 44 16.667% * 1.0007% (0.64 1.0 0.22 0.24) = 1.001% kept QG2 VAL 65 - HA LYS+ 44 16.667% * 0.0550% (0.39 1.0 0.02 0.02) = 0.055% QG1 VAL 40 - HA LYS+ 44 16.667% * 0.0413% (0.29 1.0 0.02 0.30) = 0.041% Peak 582 (0.74, 1.15, 20.06 ppm): 8 chemical-shift based assignments, quality = 0.469, support = 0.98, residual support = 0.512: QG2 ILE 48 - QB ALA 33 12.500% * 38.7377% (0.39 1.69 1.10) = 38.738% kept HG3 LYS+ 66 - QB ALA 33 12.500% * 14.6380% (0.73 0.34 0.02) = 14.638% kept QG2 ILE 101 - QB ALA 33 12.500% * 14.3389% (0.20 1.20 0.20) = 14.339% kept QG1 VAL 40 - QB ALA 33 12.500% * 12.8372% (0.51 0.43 0.38) = 12.837% kept QD1 ILE 68 - QB ALA 33 12.500% * 9.8668% (0.54 0.31 0.02) = 9.867% kept HG3 LYS+ 44 - QB ALA 33 12.500% * 8.6406% (0.73 0.20 0.02) = 8.641% kept QG2 VAL 65 - QB ALA 33 12.500% * 0.6983% (0.60 0.02 0.02) = 0.698% HG LEU 74 - QB ALA 33 12.500% * 0.2425% (0.21 0.02 0.02) = 0.242% Peak 584 (0.70, 0.70, 19.86 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 585 (8.34, 4.13, 61.06 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 586 (8.24, 1.35, 19.51 ppm): 10 chemical-shift based assignments, quality = 0.323, support = 1.63, residual support = 4.15: O HN ALA 11 - QB ALA 11 10.000% * 57.0384% (0.10 10.0 1.61 5.61) = 57.038% kept * HN GLU- 12 - QB ALA 11 10.000% * 40.3917% (0.66 1.0 1.76 2.35) = 40.392% kept HN LEU 67 - QB ALA 11 10.000% * 0.4511% (0.64 1.0 0.02 0.02) = 0.451% HN LYS+ 81 - QB ALA 11 10.000% * 0.4511% (0.64 1.0 0.02 0.02) = 0.451% HN GLY 58 - QB ALA 11 10.000% * 0.4248% (0.61 1.0 0.02 0.02) = 0.425% HN SER 49 - QB ALA 11 10.000% * 0.3685% (0.53 1.0 0.02 0.24) = 0.368% HN THR 106 - QB ALA 11 10.000% * 0.3341% (0.48 1.0 0.02 0.02) = 0.334% HN ASP- 115 - QB ALA 11 10.000% * 0.2977% (0.42 1.0 0.02 0.02) = 0.298% HN VAL 94 - QB ALA 11 10.000% * 0.1279% (0.18 1.0 0.02 0.02) = 0.128% HN VAL 105 - QB ALA 11 10.000% * 0.1147% (0.16 1.0 0.02 0.02) = 0.115% Peak 587 (4.26, 1.35, 19.48 ppm): 21 chemical-shift based assignments, quality = 0.509, support = 1.43, residual support = 5.24: * O HA ALA 11 - QB ALA 11 4.762% * 89.7521% (0.54 10.0 1.40 5.61) = 89.752% kept HA GLU- 10 - QB ALA 11 4.762% * 6.9344% (0.25 1.0 2.36 2.95) = 6.934% kept HA LEU 90 - QB ALA 11 4.762% * 1.7701% (0.19 1.0 0.80 0.02) = 1.770% kept HA GLU- 75 - QB ALA 11 4.762% * 0.1382% (0.59 1.0 0.02 0.02) = 0.138% HA GLU- 107 - QB ALA 11 4.762% * 0.1382% (0.59 1.0 0.02 0.02) = 0.138% HA ASN 119 - QB ALA 11 4.762% * 0.1382% (0.59 1.0 0.02 0.02) = 0.138% HA GLU- 64 - QB ALA 11 4.762% * 0.1354% (0.57 1.0 0.02 0.02) = 0.135% HA ASN 76 - QB ALA 11 4.762% * 0.1354% (0.57 1.0 0.02 0.02) = 0.135% HA GLU- 56 - QB ALA 11 4.762% * 0.1196% (0.51 1.0 0.02 0.02) = 0.120% HA PRO 59 - QB ALA 11 4.762% * 0.0983% (0.42 1.0 0.02 0.02) = 0.098% HA SER 85 - QB ALA 11 4.762% * 0.0868% (0.37 1.0 0.02 0.02) = 0.087% HA ARG+ 84 - QB ALA 11 4.762% * 0.0868% (0.37 1.0 0.02 0.02) = 0.087% HA PRO 52 - QB ALA 11 4.762% * 0.0868% (0.37 1.0 0.02 0.02) = 0.087% HA VAL 94 - QB ALA 11 4.762% * 0.0811% (0.34 1.0 0.02 0.02) = 0.081% HA GLU- 54 - QB ALA 11 4.762% * 0.0589% (0.25 1.0 0.02 0.02) = 0.059% HA LYS+ 108 - QB ALA 11 4.762% * 0.0589% (0.25 1.0 0.02 0.02) = 0.059% HA VAL 122 - QB ALA 11 4.762% * 0.0537% (0.23 1.0 0.02 0.02) = 0.054% HB3 SER 49 - QB ALA 11 4.762% * 0.0379% (0.16 1.0 0.02 0.24) = 0.038% HA ALA 42 - QB ALA 11 4.762% * 0.0357% (0.15 1.0 0.02 0.02) = 0.036% HA SER 49 - QB ALA 11 4.762% * 0.0283% (0.12 1.0 0.02 0.24) = 0.028% HB3 CYS 121 - QB ALA 11 4.762% * 0.0251% (0.11 1.0 0.02 0.02) = 0.025% Peak 588 (4.13, 4.13, 60.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 608 (1.38, 4.28, 61.15 ppm): 11 chemical-shift based assignments, quality = 0.061, support = 0.108, residual support = 0.0293: HB3 LYS+ 20 - HA PRO 59 9.091% * 34.6393% (0.06 0.17 0.02) = 34.639% kept QG2 THR 39 - HA PRO 59 9.091% * 26.1483% (0.08 0.09 0.02) = 26.148% kept HG3 LYS+ 81 - HA PRO 59 9.091% * 15.3723% (0.03 0.13 0.02) = 15.372% kept HG2 LYS+ 78 - HA PRO 59 9.091% * 5.5308% (0.08 0.02 0.02) = 5.531% kept HG13 ILE 68 - HA PRO 59 9.091% * 5.0604% (0.07 0.02 0.21) = 5.060% kept QB ALA 11 - HA PRO 59 9.091% * 4.3122% (0.06 0.02 0.02) = 4.312% kept HB3 LEU 17 - HA PRO 59 9.091% * 2.9687% (0.04 0.02 0.02) = 2.969% kept HD3 LYS+ 20 - HA PRO 59 9.091% * 2.7465% (0.04 0.02 0.02) = 2.747% kept QB ALA 93 - HA PRO 59 9.091% * 1.1167% (0.02 0.02 0.02) = 1.117% kept HG13 ILE 100 - HA PRO 59 9.091% * 1.1167% (0.02 0.02 0.02) = 1.117% kept HG LEU 67 - HA PRO 59 9.091% * 0.9882% (0.01 0.02 0.80) = 0.988% Not enough support, support cutoff is 0.27 Peak unassigned. Peak 610 (1.40, 4.20, 61.28 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 614 (1.36, 1.36, 19.50 ppm): 1 diagonal assignment: * QB ALA 11 - QB ALA 11 (0.63) kept Peak 637 (0.96, 0.96, 19.53 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 641 (0.83, 4.13, 61.02 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 652 (0.55, 0.94, 61.28 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 660 (9.67, 4.27, 60.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 673 (8.47, 1.37, 18.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HN GLY 92 - QB ALA 91 Peak unassigned. Peak 674 (8.29, 1.37, 18.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HN ALA 91 - QB ALA 91 Peak unassigned. Peak 675 (7.77, 1.43, 18.94 ppm): 5 chemical-shift based assignments, quality = 0.779, support = 0.591, residual support = 0.611: HN ALA 37 - QB ALA 91 20.000% * 82.8700% (0.79 0.70 0.73) = 82.870% kept HN SER 124 - QB ALA 91 20.000% * 12.7311% (0.82 0.10 0.02) = 12.731% kept HN VAL 125 - QB ALA 91 20.000% * 2.2705% (0.75 0.02 0.02) = 2.270% kept HN THR 46 - QB ALA 91 20.000% * 1.1150% (0.37 0.02 0.02) = 1.115% kept HN VAL 87 - QB ALA 91 20.000% * 1.0134% (0.33 0.02 0.02) = 1.013% kept Peak 676 (4.42, 4.26, 60.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 677 (4.39, 1.43, 18.95 ppm): 15 chemical-shift based assignments, quality = 0.823, support = 1.04, residual support = 0.703: O HA ALA 91 - QB ALA 91 6.667% * 53.6315% (0.93 10.0 1.00 1.00 0.69) = 53.631% kept T HA ALA 37 - QB ALA 91 6.667% * 45.5128% (0.71 1.0 10.00 1.11 0.73) = 45.513% kept HA SER 88 - QB ALA 91 6.667% * 0.1124% (0.97 1.0 1.00 0.02 0.02) = 0.112% HA ASN 57 - QB ALA 91 6.667% * 0.0984% (0.85 1.0 1.00 0.02 0.02) = 0.098% HA THR 95 - QB ALA 91 6.667% * 0.0947% (0.82 1.0 1.00 0.02 0.02) = 0.095% HA SER 27 - QB ALA 91 6.667% * 0.0867% (0.75 1.0 1.00 0.02 0.02) = 0.087% HA PRO 104 - QB ALA 91 6.667% * 0.0823% (0.71 1.0 1.00 0.02 0.02) = 0.082% HA LYS+ 60 - QB ALA 91 6.667% * 0.0688% (0.60 1.0 1.00 0.02 0.02) = 0.069% HA TRP 51 - QB ALA 91 6.667% * 0.0642% (0.56 1.0 1.00 0.02 0.02) = 0.064% HA PRO 112 - QB ALA 91 6.667% * 0.0597% (0.52 1.0 1.00 0.02 0.02) = 0.060% HA PRO 116 - QB ALA 91 6.667% * 0.0508% (0.44 1.0 1.00 0.02 0.02) = 0.051% HA PRO 86 - QB ALA 91 6.667% * 0.0426% (0.37 1.0 1.00 0.02 0.02) = 0.043% HB THR 61 - QB ALA 91 6.667% * 0.0387% (0.34 1.0 1.00 0.02 0.02) = 0.039% HA2 GLY 26 - QB ALA 91 6.667% * 0.0283% (0.25 1.0 1.00 0.02 0.02) = 0.028% HA HIS+ 14 - QB ALA 91 6.667% * 0.0283% (0.25 1.0 1.00 0.02 0.02) = 0.028% Peak 678 (4.26, 4.25, 60.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 679 (4.24, 1.37, 18.84 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HA ALA 91 - QB ALA 91 Peak unassigned. Peak 680 (4.08, 4.26, 60.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 689 (1.46, 4.38, 60.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 690 (1.37, 4.34, 60.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 691 (1.42, 1.42, 19.01 ppm): 1 diagonal assignment: QB ALA 91 - QB ALA 91 (0.98) kept Peak 698 (8.60, 1.56, 18.49 ppm): 4 chemical-shift based assignments, quality = 0.643, support = 2.7, residual support = 8.48: * HN THR 39 - QB ALA 42 25.000% * 95.0256% (0.64 2.84 8.92) = 95.026% kept HN VAL 80 - QB ALA 42 25.000% * 3.4848% (0.60 0.11 0.02) = 3.485% kept HN LYS+ 20 - QB ALA 42 25.000% * 1.0256% (0.99 0.02 0.02) = 1.026% kept HN VAL 73 - QB ALA 42 25.000% * 0.4639% (0.45 0.02 0.02) = 0.464% Peak 699 (8.00, 1.56, 18.43 ppm): 4 chemical-shift based assignments, quality = 0.709, support = 4.67, residual support = 17.6: * HN LEU 43 - QB ALA 42 25.000% * 81.5094% (0.71 5.59 21.64) = 81.509% kept HN MET 126 - QB ALA 42 25.000% * 8.7268% (0.92 0.46 0.02) = 8.727% kept HN SER 27 - QB ALA 42 25.000% * 8.5984% (0.51 0.81 0.02) = 8.598% kept HN LYS+ 111 - QB ALA 42 25.000% * 1.1654% (0.51 0.11 0.02) = 1.165% kept Peak 700 (7.74, 1.56, 18.48 ppm): 4 chemical-shift based assignments, quality = 0.642, support = 3.49, residual support = 18.0: * O HN ALA 42 - QB ALA 42 25.000% * 95.2570% (0.64 10.0 3.63 18.89) = 95.257% kept HN ALA 37 - QB ALA 42 25.000% * 4.1632% (0.72 1.0 0.78 0.02) = 4.163% kept HN VAL 125 - QB ALA 42 25.000% * 0.4787% (0.76 1.0 0.09 0.02) = 0.479% HN SER 124 - QB ALA 42 25.000% * 0.1011% (0.68 1.0 0.02 0.02) = 0.101% Peak 701 (4.23, 1.56, 18.49 ppm): 16 chemical-shift based assignments, quality = 0.981, support = 2.95, residual support = 18.7: * O T HA ALA 42 - QB ALA 42 6.250% * 99.1239% (0.99 10.0 10.00 2.98 18.89) = 99.124% kept HA SER 49 - QB ALA 42 6.250% * 0.0974% (0.97 1.0 1.00 0.02 0.02) = 0.097% HA GLU- 54 - QB ALA 42 6.250% * 0.0959% (0.96 1.0 1.00 0.02 0.02) = 0.096% HA GLU- 10 - QB ALA 42 6.250% * 0.0959% (0.96 1.0 1.00 0.02 0.02) = 0.096% HA LYS+ 108 - QB ALA 42 6.250% * 0.0959% (0.96 1.0 1.00 0.02 0.02) = 0.096% HA GLU- 109 - QB ALA 42 6.250% * 0.0862% (0.86 1.0 1.00 0.02 0.02) = 0.086% HA PRO 59 - QB ALA 42 6.250% * 0.0759% (0.76 1.0 1.00 0.02 0.02) = 0.076% HA GLU- 12 - QB ALA 42 6.250% * 0.0562% (0.56 1.0 1.00 0.02 0.02) = 0.056% HA ALA 11 - QB ALA 42 6.250% * 0.0523% (0.52 1.0 1.00 0.02 0.02) = 0.052% HA ASN 76 - QB ALA 42 6.250% * 0.0445% (0.44 1.0 1.00 0.02 0.02) = 0.045% HB3 SER 49 - QB ALA 42 6.250% * 0.0441% (0.44 1.0 1.00 0.02 0.02) = 0.044% HA GLU- 107 - QB ALA 42 6.250% * 0.0408% (0.41 1.0 1.00 0.02 0.02) = 0.041% HA ASN 119 - QB ALA 42 6.250% * 0.0408% (0.41 1.0 1.00 0.02 0.02) = 0.041% HA GLU- 75 - QB ALA 42 6.250% * 0.0174% (0.17 1.0 1.00 0.02 0.02) = 0.017% HA ASP- 82 - QB ALA 42 6.250% * 0.0174% (0.17 1.0 1.00 0.02 0.02) = 0.017% HA GLU- 64 - QB ALA 42 6.250% * 0.0153% (0.15 1.0 1.00 0.02 0.02) = 0.015% Peak 702 (4.03, 1.56, 18.52 ppm): 6 chemical-shift based assignments, quality = 0.249, support = 1.44, residual support = 4.72: HA THR 38 - QB ALA 42 16.667% * 46.3646% (0.30 1.45 5.57) = 46.365% kept HB THR 38 - QB ALA 42 16.667% * 36.8191% (0.19 1.80 5.57) = 36.819% kept HB THR 95 - QB ALA 42 16.667% * 13.6040% (0.17 0.75 0.66) = 13.604% kept HA VAL 13 - QB ALA 42 16.667% * 1.4229% (0.66 0.02 0.02) = 1.423% kept HB3 SER 85 - QB ALA 42 16.667% * 1.3400% (0.62 0.02 0.02) = 1.340% kept HB3 SER 49 - QB ALA 42 16.667% * 0.4494% (0.21 0.02 0.02) = 0.449% Peak 705 (1.56, 1.56, 18.48 ppm): 1 diagonal assignment: * QB ALA 42 - QB ALA 42 (0.99) kept Peak 707 (1.37, 4.22, 18.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 710 (1.07, 1.56, 18.56 ppm): 1 chemical-shift based assignment, quality = 0.596, support = 0.494, residual support = 0.66: QG2 THR 95 - QB ALA 42 100.000% *100.0000% (0.60 0.49 0.66) = 100.000% kept Peak 712 (0.93, 1.56, 18.58 ppm): 14 chemical-shift based assignments, quality = 0.552, support = 0.555, residual support = 0.0873: QG2 VAL 80 - QB ALA 42 7.143% * 25.7247% (0.80 0.45 0.02) = 25.725% kept HG3 LYS+ 110 - QB ALA 42 7.143% * 21.4325% (0.84 0.36 0.34) = 21.432% kept QG2 VAL 40 - QB ALA 42 7.143% * 15.7663% (0.17 1.32 0.02) = 15.766% kept QD1 LEU 67 - QB ALA 42 7.143% * 13.6415% (0.26 0.73 0.02) = 13.642% kept HG3 LYS+ 117 - QB ALA 42 7.143% * 8.9185% (0.32 0.39 0.02) = 8.918% kept HG12 ILE 68 - QB ALA 42 7.143% * 5.0153% (0.85 0.08 0.02) = 5.015% kept QG1 VAL 47 - QB ALA 42 7.143% * 4.6690% (0.21 0.31 0.02) = 4.669% kept QG2 VAL 105 - QB ALA 42 7.143% * 1.0833% (0.76 0.02 0.02) = 1.083% kept QD1 LEU 17 - QB ALA 42 7.143% * 1.0477% (0.73 0.02 0.02) = 1.048% kept QG1 VAL 105 - QB ALA 42 7.143% * 1.0089% (0.71 0.02 0.02) = 1.009% kept QG2 VAL 62 - QB ALA 42 7.143% * 0.5879% (0.41 0.02 0.02) = 0.588% QG2 VAL 73 - QB ALA 42 7.143% * 0.4533% (0.32 0.02 0.02) = 0.453% QG2 ILE 29 - QB ALA 42 7.143% * 0.4120% (0.29 0.02 0.02) = 0.412% QG2 VAL 87 - QB ALA 42 7.143% * 0.2390% (0.17 0.02 0.02) = 0.239% Peak 715 (0.39, 3.87, 59.82 ppm): 2 chemical-shift based assignments, quality = 0.861, support = 3.11, residual support = 9.33: T QD1 ILE 48 - HA GLU- 45 50.000% * 87.6667% (0.86 10.00 3.16 9.33) = 87.667% kept * HG12 ILE 48 - HA GLU- 45 50.000% * 12.3333% (0.86 1.00 2.81 9.33) = 12.333% kept Peak 716 (8.37, 1.31, 18.21 ppm): 4 chemical-shift based assignments, quality = 0.577, support = 2.68, residual support = 7.91: * O HN ALA 103 - QB ALA 103 25.000% * 99.6069% (0.58 10.0 2.69 7.94) = 99.607% kept HN GLY 71 - QB ALA 103 25.000% * 0.1642% (0.95 1.0 0.02 0.02) = 0.164% HN LYS+ 108 - QB ALA 103 25.000% * 0.1425% (0.83 1.0 0.02 0.02) = 0.142% HN GLU- 109 - QB ALA 103 25.000% * 0.0864% (0.50 1.0 0.02 0.02) = 0.086% Peak 717 (8.23, 3.87, 59.76 ppm): 11 chemical-shift based assignments, quality = 0.581, support = 4.1, residual support = 43.5: * O HN GLU- 45 - HA GLU- 45 9.091% * 57.3455% (0.37 10.0 5.69 73.84) = 57.345% kept HN SER 49 - HA GLU- 45 9.091% * 22.7410% (1.00 1.0 2.98 4.72) = 22.741% kept HN LYS+ 81 - HA GLU- 45 9.091% * 5.7777% (0.89 1.0 0.84 0.23) = 5.778% kept HN ALA 11 - HA GLU- 45 9.091% * 4.2061% (0.45 1.0 1.23 0.88) = 4.206% kept HN LEU 67 - HA GLU- 45 9.091% * 3.9736% (0.89 1.0 0.58 0.02) = 3.974% kept HN VAL 105 - HA GLU- 45 9.091% * 3.5604% (0.60 1.0 0.77 0.32) = 3.560% kept HN GLU- 12 - HA GLU- 45 9.091% * 1.4773% (0.80 1.0 0.24 0.02) = 1.477% kept HN GLY 58 - HA GLU- 45 9.091% * 0.7249% (0.96 1.0 0.10 0.02) = 0.725% HN VAL 94 - HA GLU- 45 9.091% * 0.0988% (0.64 1.0 0.02 0.02) = 0.099% HN THR 106 - HA GLU- 45 9.091% * 0.0521% (0.34 1.0 0.02 0.02) = 0.052% HN ASP- 115 - HA GLU- 45 9.091% * 0.0425% (0.28 1.0 0.02 0.02) = 0.042% Peak 718 (8.26, 3.69, 59.69 ppm): 9 chemical-shift based assignments, quality = 0.513, support = 4.16, residual support = 34.6: * O HN LYS+ 81 - HA LYS+ 81 11.111% * 65.8749% (0.39 10.0 5.02 51.84) = 65.875% kept HN THR 106 - HA LYS+ 81 11.111% * 23.0580% (0.84 1.0 3.25 2.05) = 23.058% kept HN GLU- 12 - HA LYS+ 81 11.111% * 5.6869% (0.49 1.0 1.37 0.24) = 5.687% kept HN ASP- 115 - HA LYS+ 81 11.111% * 3.7418% (0.87 1.0 0.51 0.02) = 3.742% kept HN GLY 58 - HA LYS+ 81 11.111% * 0.8225% (0.30 1.0 0.33 0.02) = 0.822% HN ASP- 28 - HA LYS+ 81 11.111% * 0.3659% (0.13 1.0 0.32 0.02) = 0.366% HN ASN 89 - HA LYS+ 81 11.111% * 0.3514% (0.39 1.0 0.11 0.02) = 0.351% HN LEU 67 - HA LYS+ 81 11.111% * 0.0659% (0.39 1.0 0.02 0.02) = 0.066% HN SER 49 - HA LYS+ 81 11.111% * 0.0327% (0.19 1.0 0.02 0.02) = 0.033% Peak 719 (4.53, 1.30, 18.21 ppm): 5 chemical-shift based assignments, quality = 0.926, support = 2.78, residual support = 7.87: * O HA ALA 103 - QB ALA 103 20.000% * 99.1114% (0.93 10.0 2.81 7.94) = 99.111% kept HB THR 46 - QB ALA 103 20.000% * 0.7795% (0.63 1.0 0.23 0.31) = 0.780% HA LEU 17 - QB ALA 103 20.000% * 0.0581% (0.55 1.0 0.02 0.02) = 0.058% HA LYS+ 55 - QB ALA 103 20.000% * 0.0350% (0.33 1.0 0.02 0.02) = 0.035% HB THR 79 - QB ALA 103 20.000% * 0.0158% (0.15 1.0 0.02 0.02) = 0.016% Peak 722 (3.87, 3.87, 59.81 ppm): 1 diagonal assignment: * HA GLU- 45 - HA GLU- 45 (0.95) kept Peak 723 (3.76, 1.30, 18.20 ppm): 2 chemical-shift based assignments, quality = 0.752, support = 3.38, residual support = 11.1: * T HD3 PRO 104 - QB ALA 103 50.000% * 99.9414% (0.75 10.00 3.38 11.06) = 99.941% kept HA LEU 43 - QB ALA 103 50.000% * 0.0586% (0.44 1.00 0.02 0.02) = 0.059% Peak 724 (3.70, 3.69, 59.64 ppm): 1 diagonal assignment: * HA LYS+ 81 - HA LYS+ 81 (0.94) kept Peak 725 (3.61, 1.31, 18.21 ppm): 2 chemical-shift based assignments, quality = 0.426, support = 1.87, residual support = 5.32: T HD2 PRO 112 - QB ALA 103 50.000% * 54.5341% (0.58 10.00 0.99 0.53) = 54.534% kept * T HD2 PRO 104 - QB ALA 103 50.000% * 45.4659% (0.24 10.00 2.93 11.06) = 45.466% kept Peak 726 (2.05, 3.87, 59.76 ppm): 14 chemical-shift based assignments, quality = 0.972, support = 4.73, residual support = 69.8: * O HB2 GLU- 45 - HA GLU- 45 7.143% * 94.5248% (0.99 10.0 4.97 73.84) = 94.525% kept HB3 GLU- 75 - HA GLU- 45 7.143% * 2.0669% (0.70 1.0 0.61 0.11) = 2.067% kept HG2 PRO 112 - HA GLU- 45 7.143% * 1.9959% (0.68 1.0 0.61 0.28) = 1.996% kept HG3 PRO 86 - HA GLU- 45 7.143% * 1.0850% (0.99 1.0 0.23 0.02) = 1.085% kept HB3 LYS+ 110 - HA GLU- 45 7.143% * 0.0729% (0.76 1.0 0.02 0.11) = 0.073% HG3 GLU- 64 - HA GLU- 45 7.143% * 0.0428% (0.45 1.0 0.02 0.02) = 0.043% HB3 GLU- 54 - HA GLU- 45 7.143% * 0.0392% (0.41 1.0 0.02 0.02) = 0.039% HB VAL 62 - HA GLU- 45 7.143% * 0.0358% (0.37 1.0 0.02 0.50) = 0.036% HB3 GLU- 10 - HA GLU- 45 7.143% * 0.0294% (0.31 1.0 0.02 0.85) = 0.029% HB3 GLU- 64 - HA GLU- 45 7.143% * 0.0294% (0.31 1.0 0.02 0.02) = 0.029% HB ILE 101 - HA GLU- 45 7.143% * 0.0265% (0.28 1.0 0.02 0.02) = 0.027% HB3 PRO 31 - HA GLU- 45 7.143% * 0.0238% (0.25 1.0 0.02 0.02) = 0.024% HB3 LYS+ 120 - HA GLU- 45 7.143% * 0.0147% (0.15 1.0 0.02 0.02) = 0.015% HB3 GLU- 107 - HA GLU- 45 7.143% * 0.0129% (0.13 1.0 0.02 0.02) = 0.013% Peak 727 (1.78, 1.29, 59.84 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 728 (1.67, 3.69, 59.64 ppm): 9 chemical-shift based assignments, quality = 0.786, support = 3.48, residual support = 35.3: * O T HB3 LYS+ 81 - HA LYS+ 81 11.111% * 63.3686% (0.94 10.0 10.00 3.99 51.84) = 63.369% kept T HG3 ARG+ 84 - HA LYS+ 81 11.111% * 35.9562% (0.53 1.0 10.00 2.65 6.94) = 35.956% kept T HG2 PRO 52 - HA LYS+ 81 11.111% * 0.3596% (0.53 1.0 10.00 0.02 0.02) = 0.360% HB3 MET 126 - HA LYS+ 81 11.111% * 0.0601% (0.89 1.0 1.00 0.02 0.02) = 0.060% HB3 MET 97 - HA LYS+ 81 11.111% * 0.0570% (0.84 1.0 1.00 0.02 0.02) = 0.057% HD3 LYS+ 55 - HA LYS+ 81 11.111% * 0.0530% (0.79 1.0 1.00 0.02 0.02) = 0.053% HB ILE 100 - HA LYS+ 81 11.111% * 0.0509% (0.75 1.0 1.00 0.02 0.02) = 0.051% HB3 LYS+ 66 - HA LYS+ 81 11.111% * 0.0485% (0.72 1.0 1.00 0.02 0.02) = 0.049% HG13 ILE 19 - HA LYS+ 81 11.111% * 0.0461% (0.68 1.0 1.00 0.02 0.02) = 0.046% Peak 731 (1.60, 1.33, 59.94 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 733 (1.32, 3.69, 59.61 ppm): 4 chemical-shift based assignments, quality = 0.887, support = 1.85, residual support = 2.92: QG2 THR 46 - HA LYS+ 81 25.000% * 81.8599% (0.93 2.17 3.57) = 81.860% kept HB2 ARG+ 22 - HA LYS+ 81 25.000% * 14.3550% (0.78 0.46 0.02) = 14.355% kept HB2 LYS+ 55 - HA LYS+ 81 25.000% * 3.3575% (0.29 0.29 0.02) = 3.358% kept QB ALA 103 - HA LYS+ 81 25.000% * 0.4276% (0.53 0.02 0.02) = 0.428% Reference assignment not found: HG3 LYS+ 81 - HA LYS+ 81 Peak 734 (1.31, 1.31, 18.21 ppm): 1 diagonal assignment: * QB ALA 103 - QB ALA 103 (0.72) kept Peak 746 (8.91, 0.71, 17.81 ppm): 6 chemical-shift based assignments, quality = 0.793, support = 4.08, residual support = 24.7: * HN GLN 102 - QG2 ILE 101 16.667% * 96.0062% (0.82 4.22 25.73) = 96.006% kept HN PHE 21 - QG2 ILE 101 16.667% * 2.0348% (0.15 0.48 0.02) = 2.035% kept HN ASP- 36 - QG2 ILE 68 16.667% * 1.4463% (0.05 1.02 0.69) = 1.446% kept HN ASP- 36 - QG2 ILE 101 16.667% * 0.2769% (0.12 0.09 0.02) = 0.277% HN GLN 102 - QG2 ILE 68 16.667% * 0.1989% (0.36 0.02 0.02) = 0.199% HN PHE 21 - QG2 ILE 68 16.667% * 0.0368% (0.07 0.02 0.02) = 0.037% Peak 747 (8.83, 0.68, 17.95 ppm): 6 chemical-shift based assignments, quality = 0.669, support = 0.502, residual support = 0.381: HN LYS+ 60 - QG2 ILE 68 16.667% * 37.7096% (0.88 0.45 0.02) = 37.710% kept HN LYS+ 32 - QG2 ILE 101 16.667% * 35.7785% (0.52 0.72 1.03) = 35.778% kept HN LYS+ 60 - QG2 ILE 101 16.667% * 19.4996% (0.58 0.35 0.02) = 19.500% kept HN ASN 57 - QG2 ILE 101 16.667% * 4.1677% (0.46 0.09 0.02) = 4.168% kept HN LYS+ 32 - QG2 ILE 68 16.667% * 1.5028% (0.79 0.02 0.02) = 1.503% kept HN ASN 57 - QG2 ILE 68 16.667% * 1.3418% (0.70 0.02 0.02) = 1.342% kept Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 748 (8.75, 0.86, 17.86 ppm): 4 chemical-shift based assignments, quality = 0.339, support = 3.61, residual support = 15.0: * HN ILE 101 - QG2 ILE 100 25.000% * 77.7920% (0.34 4.50 19.28) = 77.792% kept HN VAL 62 - QG2 ILE 100 25.000% * 9.8678% (0.37 0.52 0.14) = 9.868% kept HN GLU- 56 - QG2 ILE 100 25.000% * 8.2283% (0.32 0.50 0.02) = 8.228% kept HN PHE 34 - QG2 ILE 100 25.000% * 4.1119% (0.29 0.28 0.02) = 4.112% kept Peak 749 (8.39, 0.68, 17.95 ppm): 4 chemical-shift based assignments, quality = 0.333, support = 1.55, residual support = 2.16: * HN GLY 71 - QG2 ILE 68 25.000% * 56.8823% (0.42 1.70 2.95) = 56.882% kept HN GLY 71 - QG2 ILE 101 25.000% * 29.9244% (0.27 1.38 1.48) = 29.924% kept HN LYS+ 108 - QG2 ILE 101 25.000% * 12.8877% (0.12 1.30 0.27) = 12.888% kept HN LYS+ 108 - QG2 ILE 68 25.000% * 0.3056% (0.19 0.02 0.02) = 0.306% Peak 750 (8.09, 4.37, 59.12 ppm): 12 chemical-shift based assignments, quality = 0.259, support = 3.24, residual support = 12.1: * O HN SER 88 - HA SER 88 8.333% * 89.7489% (0.26 10.0 3.45 12.96) = 89.749% kept HN GLY 26 - HA SER 27 8.333% * 6.2367% (0.15 1.0 2.37 6.98) = 6.237% kept HN VAL 122 - HA SER 88 8.333% * 2.3405% (0.80 1.0 0.17 0.02) = 2.340% kept HN VAL 122 - HA SER 27 8.333% * 0.2897% (0.83 1.0 0.02 0.02) = 0.290% HN LYS+ 110 - HA SER 27 8.333% * 0.2180% (0.62 1.0 0.02 0.02) = 0.218% HN CYS 121 - HA SER 27 8.333% * 0.2180% (0.62 1.0 0.02 0.02) = 0.218% HN CYS 121 - HA SER 88 8.333% * 0.2112% (0.60 1.0 0.02 0.02) = 0.211% HN LYS+ 110 - HA SER 88 8.333% * 0.2112% (0.60 1.0 0.02 0.02) = 0.211% HN GLU- 75 - HA SER 27 8.333% * 0.1942% (0.56 1.0 0.02 0.02) = 0.194% HN GLU- 75 - HA SER 88 8.333% * 0.1881% (0.54 1.0 0.02 0.02) = 0.188% HN SER 88 - HA SER 27 8.333% * 0.0927% (0.27 1.0 0.02 0.02) = 0.093% HN GLY 26 - HA SER 88 8.333% * 0.0509% (0.15 1.0 0.02 0.02) = 0.051% Peak 751 (7.97, 0.67, 17.97 ppm): 4 chemical-shift based assignments, quality = 0.455, support = 2.79, residual support = 1.94: * HN LYS+ 72 - QG2 ILE 68 25.000% * 53.7201% (0.50 3.69 2.90) = 53.720% kept HN LYS+ 72 - QG2 ILE 101 25.000% * 22.4720% (0.31 2.45 1.16) = 22.472% kept HN LEU 43 - QG2 ILE 68 25.000% * 19.3420% (0.53 1.25 0.61) = 19.342% kept HN LEU 43 - QG2 ILE 101 25.000% * 4.4659% (0.33 0.46 0.02) = 4.466% kept Peak 752 (6.96, 4.28, 59.32 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 753 (4.98, 0.68, 17.96 ppm): 8 chemical-shift based assignments, quality = 0.579, support = 4.17, residual support = 70.1: * O HA ILE 68 - QG2 ILE 68 12.500% * 73.6219% (0.53 10.0 4.91 92.71) = 73.622% kept HA SER 69 - QG2 ILE 68 12.500% * 16.8452% (0.87 1.0 2.80 10.87) = 16.845% kept HA MET 97 - QG2 ILE 68 12.500% * 4.8608% (0.64 1.0 1.10 0.46) = 4.861% kept HA PRO 31 - QG2 ILE 101 12.500% * 2.7393% (0.40 1.0 1.00 0.35) = 2.739% kept HA MET 97 - QG2 ILE 101 12.500% * 0.7076% (0.42 1.0 0.24 0.02) = 0.708% HA ILE 68 - QG2 ILE 101 12.500% * 0.6923% (0.35 1.0 0.29 0.10) = 0.692% HA SER 69 - QG2 ILE 101 12.500% * 0.4496% (0.57 1.0 0.11 0.02) = 0.450% HA PRO 31 - QG2 ILE 68 12.500% * 0.0834% (0.60 1.0 0.02 0.02) = 0.083% Peak 754 (4.93, 0.71, 17.82 ppm): 6 chemical-shift based assignments, quality = 0.683, support = 5.69, residual support = 117.5: * O HA ILE 101 - QG2 ILE 101 16.667% * 91.0664% (0.69 10.0 6.15 128.96) = 91.066% kept HA ALA 33 - QG2 ILE 101 16.667% * 6.3204% (0.79 1.0 1.20 0.20) = 6.320% kept HA HIS+ 98 - QG2 ILE 101 16.667% * 1.8158% (0.43 1.0 0.63 0.11) = 1.816% kept HA ALA 33 - QG2 ILE 68 16.667% * 0.4760% (0.29 1.0 0.25 0.02) = 0.476% HA ILE 101 - QG2 ILE 68 16.667% * 0.3004% (0.25 1.0 0.18 0.10) = 0.300% HA HIS+ 98 - QG2 ILE 68 16.667% * 0.0209% (0.16 1.0 0.02 15.60) = 0.021% Peak 756 (4.54, 4.39, 59.28 ppm): 8 chemical-shift based assignments, quality = 0.514, support = 0.585, residual support = 0.24: HA LEU 17 - HA SER 88 12.500% * 60.5025% (0.65 0.60 0.32) = 60.502% kept HA LEU 17 - HA SER 27 12.500% * 32.8097% (0.33 0.65 0.14) = 32.810% kept HA LYS+ 78 - HA SER 27 12.500% * 3.0393% (0.07 0.27 0.02) = 3.039% kept HA ALA 103 - HA SER 88 12.500% * 1.7217% (0.56 0.02 0.02) = 1.722% kept HA ALA 103 - HA SER 27 12.500% * 0.8570% (0.28 0.02 0.02) = 0.857% HA LYS+ 78 - HA SER 88 12.500% * 0.4589% (0.15 0.02 0.02) = 0.459% HB THR 46 - HA SER 88 12.500% * 0.4079% (0.13 0.02 0.02) = 0.408% HB THR 46 - HA SER 27 12.500% * 0.2030% (0.07 0.02 0.02) = 0.203% Peak 757 (4.47, 0.86, 17.88 ppm): 9 chemical-shift based assignments, quality = 0.378, support = 5.28, residual support = 65.7: * O HA ILE 100 - QG2 ILE 100 11.111% * 96.2252% (0.38 10.0 5.47 68.30) = 96.225% kept HA GLN 102 - QG2 ILE 100 11.111% * 3.4085% (0.38 1.0 0.71 0.14) = 3.408% kept HA MET 126 - QG2 ILE 100 11.111% * 0.0973% (0.38 1.0 0.02 0.02) = 0.097% HA LYS+ 32 - QG2 ILE 100 11.111% * 0.0880% (0.35 1.0 0.02 0.02) = 0.088% HA GLU- 50 - QG2 ILE 100 11.111% * 0.0516% (0.20 1.0 0.02 1.00) = 0.052% HA CYS 123 - QG2 ILE 100 11.111% * 0.0404% (0.16 1.0 0.02 0.02) = 0.040% HA SER 77 - QG2 ILE 100 11.111% * 0.0404% (0.16 1.0 0.02 0.02) = 0.040% HA MET 118 - QG2 ILE 100 11.111% * 0.0335% (0.13 1.0 0.02 0.02) = 0.033% HB THR 79 - QG2 ILE 100 11.111% * 0.0151% (0.06 1.0 0.02 0.02) = 0.015% Peak 758 (4.38, 4.37, 59.27 ppm): 2 diagonal assignments: * HA SER 88 - HA SER 88 (0.52) kept HA SER 27 - HA SER 27 (0.42) kept Peak 759 (4.24, 0.71, 17.84 ppm): 32 chemical-shift based assignments, quality = 0.597, support = 0.734, residual support = 1.5: T HA PRO 59 - QG2 ILE 101 3.125% * 24.0682% (0.82 10.00 0.74 1.80) = 24.068% kept T HA SER 49 - QG2 ILE 101 3.125% * 20.7695% (0.68 10.00 0.77 2.53) = 20.770% kept T HB3 SER 49 - QG2 ILE 101 3.125% * 20.0684% (0.33 10.00 1.53 2.53) = 20.068% kept T HA LYS+ 108 - QG2 ILE 101 3.125% * 10.6887% (0.83 10.00 0.32 0.27) = 10.689% kept T HA GLU- 107 - QG2 ILE 101 3.125% * 9.4244% (0.58 10.00 0.41 0.02) = 9.424% kept T HA GLU- 109 - QG2 ILE 101 3.125% * 4.5341% (0.51 10.00 0.22 0.02) = 4.534% kept T HA ASN 76 - QG2 ILE 101 3.125% * 3.8690% (0.61 10.00 0.16 0.02) = 3.869% kept T HA PRO 59 - QG2 ILE 68 3.125% * 1.4014% (0.31 10.00 0.11 0.21) = 1.401% kept HA GLU- 75 - QG2 ILE 101 3.125% * 0.7808% (0.32 1.00 0.61 1.35) = 0.781% HB3 SER 49 - QG2 ILE 68 3.125% * 0.7404% (0.12 1.00 1.51 1.95) = 0.740% HA GLU- 64 - QG2 ILE 101 3.125% * 0.6960% (0.29 1.00 0.60 0.02) = 0.696% T HA GLU- 10 - QG2 ILE 101 3.125% * 0.6638% (0.83 10.00 0.02 0.02) = 0.664% HA ALA 42 - QG2 ILE 68 3.125% * 0.5026% (0.28 1.00 0.46 0.02) = 0.503% HA GLU- 56 - QG2 ILE 101 3.125% * 0.4715% (0.19 1.00 0.63 1.14) = 0.472% T HA ASN 119 - QG2 ILE 101 3.125% * 0.4652% (0.58 10.00 0.02 0.02) = 0.465% HA ALA 42 - QG2 ILE 101 3.125% * 0.3155% (0.73 1.00 0.11 0.02) = 0.316% T HA SER 49 - QG2 ILE 68 3.125% * 0.2035% (0.25 10.00 0.02 1.95) = 0.203% HA GLU- 54 - QG2 ILE 101 3.125% * 0.0664% (0.83 1.00 0.02 0.02) = 0.066% HA ALA 11 - QG2 ILE 101 3.125% * 0.0542% (0.68 1.00 0.02 0.02) = 0.054% HA LYS+ 108 - QG2 ILE 68 3.125% * 0.0249% (0.31 1.00 0.02 0.02) = 0.025% HA GLU- 10 - QG2 ILE 68 3.125% * 0.0249% (0.31 1.00 0.02 0.02) = 0.025% HA GLU- 54 - QG2 ILE 68 3.125% * 0.0249% (0.31 1.00 0.02 0.02) = 0.025% HA GLU- 12 - QG2 ILE 101 3.125% * 0.0209% (0.26 1.00 0.02 0.02) = 0.021% HA ALA 11 - QG2 ILE 68 3.125% * 0.0203% (0.25 1.00 0.02 0.02) = 0.020% HA ASN 76 - QG2 ILE 68 3.125% * 0.0185% (0.23 1.00 0.02 0.02) = 0.018% HA ASN 119 - QG2 ILE 68 3.125% * 0.0175% (0.22 1.00 0.02 0.54) = 0.017% HA GLU- 107 - QG2 ILE 68 3.125% * 0.0175% (0.22 1.00 0.02 0.02) = 0.017% HA GLU- 109 - QG2 ILE 68 3.125% * 0.0154% (0.19 1.00 0.02 0.02) = 0.015% HA GLU- 75 - QG2 ILE 68 3.125% * 0.0095% (0.12 1.00 0.02 0.02) = 0.010% HA GLU- 64 - QG2 ILE 68 3.125% * 0.0087% (0.11 1.00 0.02 0.02) = 0.009% HA GLU- 12 - QG2 ILE 68 3.125% * 0.0078% (0.10 1.00 0.02 0.02) = 0.008% HA GLU- 56 - QG2 ILE 68 3.125% * 0.0057% (0.07 1.00 0.02 0.02) = 0.006% Peak 760 (4.15, 0.67, 17.97 ppm): 20 chemical-shift based assignments, quality = 0.454, support = 1.56, residual support = 2.49: T HB3 SER 49 - QG2 ILE 101 5.000% * 54.0209% (0.51 10.00 1.53 2.53) = 54.021% kept T HA VAL 65 - QG2 ILE 101 5.000% * 10.9058% (0.08 10.00 2.40 5.65) = 10.906% kept HB3 SER 49 - QG2 ILE 68 5.000% * 8.4478% (0.82 1.00 1.51 1.95) = 8.448% kept * HA2 GLY 71 - QG2 ILE 68 5.000% * 6.8996% (0.50 1.00 2.02 2.95) = 6.900% kept HA VAL 105 - QG2 ILE 68 5.000% * 4.0240% (0.63 1.00 0.94 0.60) = 4.024% kept HA2 GLY 71 - QG2 ILE 101 5.000% * 3.5507% (0.31 1.00 1.66 1.48) = 3.551% kept T HA VAL 73 - QG2 ILE 101 5.000% * 3.3613% (0.10 10.00 0.48 0.02) = 3.361% kept HB THR 106 - QG2 ILE 68 5.000% * 3.0985% (0.63 1.00 0.72 0.02) = 3.099% kept HA VAL 73 - QG2 ILE 68 5.000% * 2.5823% (0.16 1.00 2.32 1.95) = 2.582% kept HA VAL 65 - QG2 ILE 68 5.000% * 1.0173% (0.13 1.00 1.17 1.17) = 1.017% kept T HA VAL 87 - QG2 ILE 101 5.000% * 0.7052% (0.51 10.00 0.02 0.02) = 0.705% T HA VAL 105 - QG2 ILE 101 5.000% * 0.5402% (0.39 10.00 0.02 0.02) = 0.540% HB THR 106 - QG2 ILE 101 5.000% * 0.2874% (0.39 1.00 0.11 0.02) = 0.287% HA LYS+ 110 - QG2 ILE 101 5.000% * 0.1837% (0.27 1.00 0.10 0.77) = 0.184% HA VAL 87 - QG2 ILE 68 5.000% * 0.1122% (0.82 1.00 0.02 0.02) = 0.112% HB2 SER 88 - QG2 ILE 68 5.000% * 0.0939% (0.68 1.00 0.02 0.02) = 0.094% HA LYS+ 110 - QG2 ILE 68 5.000% * 0.0591% (0.43 1.00 0.02 0.02) = 0.059% HB2 SER 88 - QG2 ILE 101 5.000% * 0.0590% (0.43 1.00 0.02 0.02) = 0.059% HA ARG+ 53 - QG2 ILE 68 5.000% * 0.0313% (0.23 1.00 0.02 0.02) = 0.031% HA ARG+ 53 - QG2 ILE 101 5.000% * 0.0197% (0.14 1.00 0.02 0.02) = 0.020% Peak 761 (4.13, 4.34, 17.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 762 (4.05, 3.84, 17.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 763 (3.99, 3.81, 59.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 764 (3.94, 3.79, 59.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 765 (3.82, 3.82, 59.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 766 (3.71, 3.82, 59.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 767 (3.59, 3.81, 59.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 768 (3.53, 1.68, 17.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 769 (3.46, 0.67, 17.98 ppm): 12 chemical-shift based assignments, quality = 0.627, support = 1.67, residual support = 2.24: * T HA1 GLY 71 - QG2 ILE 68 8.333% * 57.9286% (0.77 10.00 1.92 2.95) = 57.929% kept T HA1 GLY 71 - QG2 ILE 101 8.333% * 30.6715% (0.48 10.00 1.64 1.48) = 30.672% kept T HA VAL 40 - QG2 ILE 101 8.333% * 6.0561% (0.44 10.00 0.35 0.59) = 6.056% kept T HA VAL 62 - QG2 ILE 101 8.333% * 4.7373% (0.21 10.00 0.58 0.80) = 4.737% kept T HA ILE 48 - QG2 ILE 101 8.333% * 0.3198% (0.08 10.00 0.10 0.14) = 0.320% HD3 PRO 31 - QG2 ILE 68 8.333% * 0.0635% (0.81 1.00 0.02 0.02) = 0.063% HA VAL 80 - QG2 ILE 68 8.333% * 0.0571% (0.73 1.00 0.02 0.02) = 0.057% HA VAL 40 - QG2 ILE 68 8.333% * 0.0552% (0.70 1.00 0.02 0.02) = 0.055% HD3 PRO 31 - QG2 ILE 101 8.333% * 0.0395% (0.50 1.00 0.02 0.35) = 0.039% HA VAL 80 - QG2 ILE 101 8.333% * 0.0355% (0.45 1.00 0.02 0.02) = 0.035% HA VAL 62 - QG2 ILE 68 8.333% * 0.0262% (0.33 1.00 0.02 0.02) = 0.026% HA ILE 48 - QG2 ILE 68 8.333% * 0.0098% (0.13 1.00 0.02 0.02) = 0.010% Peak 770 (2.71, 4.29, 17.98 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 772 (2.24, 1.68, 17.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 780 (1.68, 1.68, 17.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 781 (1.66, 0.86, 17.87 ppm): 9 chemical-shift based assignments, quality = 0.388, support = 4.58, residual support = 67.9: * O T HB ILE 100 - QG2 ILE 100 11.111% * 99.4365% (0.39 10.0 10.00 4.61 68.30) = 99.437% kept HG3 ARG+ 84 - QG2 ILE 100 11.111% * 0.1049% (0.41 1.0 1.00 0.02 0.02) = 0.105% HB3 LYS+ 66 - QG2 ILE 100 11.111% * 0.1014% (0.40 1.0 1.00 0.02 4.12) = 0.101% HB3 MET 97 - QG2 ILE 100 11.111% * 0.0912% (0.36 1.0 1.00 0.02 0.02) = 0.091% HB3 MET 126 - QG2 ILE 100 11.111% * 0.0842% (0.33 1.0 1.00 0.02 0.02) = 0.084% HB3 LYS+ 81 - QG2 ILE 100 11.111% * 0.0680% (0.27 1.0 1.00 0.02 0.02) = 0.068% HG2 ARG+ 22 - QG2 ILE 100 11.111% * 0.0638% (0.25 1.0 1.00 0.02 0.02) = 0.064% HD3 LYS+ 55 - QG2 ILE 100 11.111% * 0.0292% (0.11 1.0 1.00 0.02 0.02) = 0.029% HG13 ILE 19 - QG2 ILE 100 11.111% * 0.0208% (0.08 1.0 1.00 0.02 0.02) = 0.021% Peak 782 (1.63, 0.68, 17.86 ppm): 20 chemical-shift based assignments, quality = 0.725, support = 4.28, residual support = 96.1: * O T HB ILE 68 - QG2 ILE 68 5.000% * 48.5874% (0.80 10.0 10.00 3.87 92.71) = 48.587% kept O HG12 ILE 101 - QG2 ILE 101 5.000% * 39.5955% (0.65 10.0 1.00 5.85 128.96) = 39.595% kept T HB ILE 68 - QG2 ILE 101 5.000% * 7.2960% (0.64 1.0 10.00 0.38 0.10) = 7.296% kept HG LEU 43 - QG2 ILE 68 5.000% * 3.6948% (0.80 1.0 1.00 1.52 0.61) = 3.695% kept HG2 ARG+ 22 - QG2 ILE 68 5.000% * 0.3924% (0.65 1.0 1.00 0.20 0.02) = 0.392% HG LEU 23 - QG2 ILE 68 5.000% * 0.0523% (0.86 1.0 1.00 0.02 0.02) = 0.052% HG12 ILE 101 - QG2 ILE 68 5.000% * 0.0500% (0.83 1.0 1.00 0.02 0.10) = 0.050% HB VAL 122 - QG2 ILE 68 5.000% * 0.0486% (0.80 1.0 1.00 0.02 0.02) = 0.049% HG LEU 23 - QG2 ILE 101 5.000% * 0.0414% (0.68 1.0 1.00 0.02 0.51) = 0.041% HG LEU 43 - QG2 ILE 101 5.000% * 0.0385% (0.64 1.0 1.00 0.02 0.02) = 0.038% HB VAL 122 - QG2 ILE 101 5.000% * 0.0385% (0.64 1.0 1.00 0.02 0.02) = 0.038% HG3 LYS+ 78 - QG2 ILE 68 5.000% * 0.0350% (0.58 1.0 1.00 0.02 0.02) = 0.035% HG2 ARG+ 22 - QG2 ILE 101 5.000% * 0.0311% (0.51 1.0 1.00 0.02 3.69) = 0.031% HG3 LYS+ 78 - QG2 ILE 101 5.000% * 0.0277% (0.46 1.0 1.00 0.02 0.02) = 0.028% HG2 LYS+ 110 - QG2 ILE 68 5.000% * 0.0167% (0.28 1.0 1.00 0.02 0.02) = 0.017% HG2 LYS+ 110 - QG2 ILE 101 5.000% * 0.0132% (0.22 1.0 1.00 0.02 0.77) = 0.013% HG3 ARG+ 84 - QG2 ILE 68 5.000% * 0.0121% (0.20 1.0 1.00 0.02 0.41) = 0.012% HB3 PRO 52 - QG2 ILE 68 5.000% * 0.0107% (0.18 1.0 1.00 0.02 0.02) = 0.011% HG3 ARG+ 84 - QG2 ILE 101 5.000% * 0.0095% (0.16 1.0 1.00 0.02 0.02) = 0.010% HB3 PRO 52 - QG2 ILE 101 5.000% * 0.0085% (0.14 1.0 1.00 0.02 0.02) = 0.008% Peak 786 (1.40, 0.86, 17.83 ppm): 15 chemical-shift based assignments, quality = 0.545, support = 4.24, residual support = 65.9: * O HG13 ILE 100 - QG2 ILE 100 6.667% * 96.4811% (0.55 10.0 4.37 68.30) = 96.481% kept QB ALA 93 - QG2 ILE 100 6.667% * 2.9690% (0.55 1.0 0.62 0.02) = 2.969% kept HG LEU 67 - QG2 ILE 100 6.667% * 0.0963% (0.55 1.0 0.02 8.65) = 0.096% QB ALA 37 - QG2 ILE 100 6.667% * 0.0891% (0.51 1.0 0.02 0.02) = 0.089% HD3 LYS+ 20 - QG2 ILE 100 6.667% * 0.0806% (0.46 1.0 0.02 0.02) = 0.081% HD3 LYS+ 44 - QG2 ILE 100 6.667% * 0.0508% (0.29 1.0 0.02 0.02) = 0.051% QB ALA 91 - QG2 ILE 100 6.667% * 0.0397% (0.23 1.0 0.02 0.02) = 0.040% HG13 ILE 68 - QG2 ILE 100 6.667% * 0.0397% (0.23 1.0 0.02 0.93) = 0.040% QG2 THR 38 - QG2 ILE 100 6.667% * 0.0329% (0.19 1.0 0.02 0.02) = 0.033% QG2 THR 39 - QG2 ILE 100 6.667% * 0.0241% (0.14 1.0 0.02 0.02) = 0.024% HD3 LYS+ 113 - QG2 ILE 100 6.667% * 0.0241% (0.14 1.0 0.02 0.02) = 0.024% HG3 ARG+ 22 - QG2 ILE 100 6.667% * 0.0215% (0.12 1.0 0.02 0.02) = 0.021% HG3 LYS+ 55 - QG2 ILE 100 6.667% * 0.0215% (0.12 1.0 0.02 0.02) = 0.021% HG3 LYS+ 113 - QG2 ILE 100 6.667% * 0.0169% (0.10 1.0 0.02 0.02) = 0.017% HG2 LYS+ 78 - QG2 ILE 100 6.667% * 0.0131% (0.07 1.0 0.02 0.02) = 0.013% Peak 789 (1.29, 0.72, 17.82 ppm): 14 chemical-shift based assignments, quality = 0.51, support = 4.97, residual support = 107.4: * O T HG13 ILE 101 - QG2 ILE 101 7.143% * 83.2951% (0.54 10.0 10.00 5.86 128.96) = 83.295% kept T HB3 LEU 74 - QG2 ILE 101 7.143% * 12.5449% (0.32 1.0 10.00 0.50 0.02) = 12.545% kept QB ALA 103 - QG2 ILE 101 7.143% * 2.4065% (0.72 1.0 1.00 0.43 0.02) = 2.407% kept HG2 LYS+ 32 - QG2 ILE 101 7.143% * 1.3497% (0.20 1.0 1.00 0.89 1.03) = 1.350% kept HB2 LYS+ 55 - QG2 ILE 101 7.143% * 0.1210% (0.78 1.0 1.00 0.02 0.02) = 0.121% HG2 LYS+ 81 - QG2 ILE 101 7.143% * 0.0735% (0.48 1.0 1.00 0.02 0.02) = 0.074% QG2 THR 46 - QG2 ILE 101 7.143% * 0.0414% (0.27 1.0 1.00 0.02 0.02) = 0.041% HB2 LYS+ 55 - QG2 ILE 68 7.143% * 0.0397% (0.26 1.0 1.00 0.02 0.02) = 0.040% QB ALA 103 - QG2 ILE 68 7.143% * 0.0368% (0.24 1.0 1.00 0.02 0.02) = 0.037% HG13 ILE 101 - QG2 ILE 68 7.143% * 0.0274% (0.18 1.0 1.00 0.02 0.10) = 0.027% HG2 LYS+ 81 - QG2 ILE 68 7.143% * 0.0242% (0.16 1.0 1.00 0.02 0.02) = 0.024% HB3 LEU 74 - QG2 ILE 68 7.143% * 0.0164% (0.11 1.0 1.00 0.02 1.08) = 0.016% QG2 THR 46 - QG2 ILE 68 7.143% * 0.0136% (0.09 1.0 1.00 0.02 0.02) = 0.014% HG2 LYS+ 32 - QG2 ILE 68 7.143% * 0.0099% (0.06 1.0 1.00 0.02 0.02) = 0.010% Peak 792 (1.09, 1.68, 17.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 795 (0.69, 1.68, 17.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 796 (0.69, 0.68, 17.94 ppm): 2 diagonal assignments: * QG2 ILE 68 - QG2 ILE 68 (0.92) kept QG2 ILE 101 - QG2 ILE 101 (0.55) kept Peak 799 (0.47, 1.68, 17.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 804 (0.00, 1.68, 17.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 806 (8.30, 4.37, 58.96 ppm): 12 chemical-shift based assignments, quality = 0.599, support = 2.28, residual support = 5.47: * O HN ASP- 28 - HA SER 27 8.333% * 81.9106% (0.69 10.0 2.49 6.10) = 81.911% kept O HN ASN 89 - HA SER 88 8.333% * 17.5884% (0.21 10.0 1.38 2.69) = 17.588% kept HN ALA 91 - HA SER 27 8.333% * 0.1128% (0.94 1.0 0.02 0.02) = 0.113% HN ALA 91 - HA SER 88 8.333% * 0.0747% (0.62 1.0 0.02 0.02) = 0.075% HN VAL 99 - HA SER 27 8.333% * 0.0730% (0.61 1.0 0.02 0.02) = 0.073% HN ASP- 28 - HA SER 88 8.333% * 0.0542% (0.45 1.0 0.02 0.02) = 0.054% HN VAL 99 - HA SER 88 8.333% * 0.0483% (0.40 1.0 0.02 0.02) = 0.048% HN ASN 89 - HA SER 27 8.333% * 0.0385% (0.32 1.0 0.02 0.02) = 0.038% HN ASN 76 - HA SER 27 8.333% * 0.0348% (0.29 1.0 0.02 0.02) = 0.035% HN GLY 114 - HA SER 27 8.333% * 0.0251% (0.21 1.0 0.02 0.02) = 0.025% HN ASN 76 - HA SER 88 8.333% * 0.0230% (0.19 1.0 0.02 0.02) = 0.023% HN GLY 114 - HA SER 88 8.333% * 0.0166% (0.14 1.0 0.02 0.02) = 0.017% Peak 809 (4.09, 3.98, 58.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 812 (3.88, 4.38, 59.10 ppm): 18 chemical-shift based assignments, quality = 0.641, support = 1.81, residual support = 8.28: * O T HB3 SER 27 - HA SER 27 5.556% * 58.5937% (0.77 10.0 10.00 2.00 5.99) = 58.594% kept O T HB3 SER 88 - HA SER 88 5.556% * 36.8338% (0.49 10.0 10.00 1.72 12.96) = 36.834% kept T HB3 SER 77 - HA SER 27 5.556% * 1.7903% (0.56 1.0 10.00 0.08 0.02) = 1.790% kept T HB3 SER 27 - HA SER 88 5.556% * 0.5848% (0.77 1.0 10.00 0.02 0.02) = 0.585% T HB3 SER 77 - HA SER 88 5.556% * 0.4246% (0.56 1.0 10.00 0.02 0.02) = 0.425% T HB2 SER 85 - HA SER 27 5.556% * 0.3972% (0.52 1.0 10.00 0.02 0.02) = 0.397% T HB2 SER 85 - HA SER 88 5.556% * 0.3964% (0.52 1.0 10.00 0.02 0.02) = 0.396% T HB3 SER 88 - HA SER 27 5.556% * 0.3691% (0.49 1.0 10.00 0.02 0.02) = 0.369% HD3 PRO 35 - HA SER 27 5.556% * 0.0695% (0.92 1.0 1.00 0.02 0.02) = 0.070% HD3 PRO 35 - HA SER 88 5.556% * 0.0694% (0.91 1.0 1.00 0.02 0.02) = 0.069% HD2 PRO 116 - HA SER 27 5.556% * 0.0677% (0.89 1.0 1.00 0.02 0.02) = 0.068% HD2 PRO 116 - HA SER 88 5.556% * 0.0676% (0.89 1.0 1.00 0.02 0.02) = 0.068% HD2 PRO 86 - HA SER 27 5.556% * 0.0648% (0.85 1.0 1.00 0.02 0.02) = 0.065% HD2 PRO 86 - HA SER 88 5.556% * 0.0646% (0.85 1.0 1.00 0.02 0.02) = 0.065% HA GLU- 45 - HA SER 27 5.556% * 0.0608% (0.80 1.0 1.00 0.02 0.02) = 0.061% HA GLU- 45 - HA SER 88 5.556% * 0.0607% (0.80 1.0 1.00 0.02 0.21) = 0.061% HA2 GLY 114 - HA SER 27 5.556% * 0.0425% (0.56 1.0 1.00 0.02 0.02) = 0.043% HA2 GLY 114 - HA SER 88 5.556% * 0.0425% (0.56 1.0 1.00 0.02 0.02) = 0.042% Peak 818 (1.37, 4.38, 59.17 ppm): 16 chemical-shift based assignments, quality = 0.583, support = 0.362, residual support = 0.105: T HG3 LYS+ 81 - HA SER 88 6.250% * 22.1612% (0.61 10.00 0.08 0.02) = 22.161% kept HB3 LEU 17 - HA SER 88 6.250% * 21.1016% (0.70 1.00 0.65 0.32) = 21.102% kept HB3 LEU 17 - HA SER 27 6.250% * 18.9086% (0.62 1.00 0.66 0.14) = 18.909% kept HG2 LYS+ 78 - HA SER 27 6.250% * 8.6290% (0.70 1.00 0.27 0.02) = 8.629% kept QG2 THR 39 - HA SER 27 6.250% * 7.8390% (0.59 1.00 0.29 0.02) = 7.839% kept HG13 ILE 68 - HA SER 27 6.250% * 6.6172% (0.45 1.00 0.32 0.02) = 6.617% kept T HG3 LYS+ 81 - HA SER 27 6.250% * 4.9810% (0.54 10.00 0.02 0.02) = 4.981% kept HD3 LYS+ 20 - HA SER 27 6.250% * 3.1953% (0.16 1.00 0.42 0.02) = 3.195% kept QG2 THR 39 - HA SER 88 6.250% * 2.3492% (0.67 1.00 0.08 0.02) = 2.349% kept QB ALA 11 - HA SER 88 6.250% * 0.7597% (0.82 1.00 0.02 0.02) = 0.760% HB3 LYS+ 20 - HA SER 88 6.250% * 0.7480% (0.81 1.00 0.02 0.02) = 0.748% HG2 LYS+ 78 - HA SER 88 6.250% * 0.7332% (0.79 1.00 0.02 0.02) = 0.733% QB ALA 11 - HA SER 27 6.250% * 0.6724% (0.73 1.00 0.02 0.02) = 0.672% HB3 LYS+ 20 - HA SER 27 6.250% * 0.6620% (0.71 1.00 0.02 0.02) = 0.662% HG13 ILE 68 - HA SER 88 6.250% * 0.4701% (0.51 1.00 0.02 0.02) = 0.470% HD3 LYS+ 20 - HA SER 88 6.250% * 0.1726% (0.19 1.00 0.02 0.02) = 0.173% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 824 (0.89, 4.38, 59.13 ppm): 18 chemical-shift based assignments, quality = 0.67, support = 1.37, residual support = 7.81: * QG2 VAL 87 - HA SER 88 5.556% * 66.3569% (0.78 1.87 11.74) = 66.357% kept QD1 LEU 67 - HA SER 88 5.556% * 18.4250% (0.63 0.64 0.11) = 18.425% kept QG1 VAL 47 - HA SER 27 5.556% * 2.9299% (0.60 0.11 0.02) = 2.930% kept QD1 LEU 90 - HA SER 88 5.556% * 2.7897% (0.24 0.25 0.02) = 2.790% kept HG3 LYS+ 117 - HA SER 88 5.556% * 2.3465% (0.55 0.09 0.02) = 2.347% kept QG1 VAL 80 - HA SER 88 5.556% * 0.8830% (0.97 0.02 0.02) = 0.883% QG2 VAL 125 - HA SER 88 5.556% * 0.7677% (0.84 0.02 0.02) = 0.768% QG1 VAL 80 - HA SER 27 5.556% * 0.7481% (0.82 0.02 0.02) = 0.748% QG2 VAL 40 - HA SER 88 5.556% * 0.7087% (0.78 0.02 0.02) = 0.709% QG2 VAL 125 - HA SER 27 5.556% * 0.6503% (0.71 0.02 0.02) = 0.650% QG1 VAL 47 - HA SER 88 5.556% * 0.6427% (0.71 0.02 0.02) = 0.643% QG2 VAL 87 - HA SER 27 5.556% * 0.6003% (0.66 0.02 0.02) = 0.600% QG2 VAL 40 - HA SER 27 5.556% * 0.6003% (0.66 0.02 0.02) = 0.600% QD1 LEU 67 - HA SER 27 5.556% * 0.4850% (0.53 0.02 0.02) = 0.485% HG3 LYS+ 117 - HA SER 27 5.556% * 0.4245% (0.47 0.02 0.02) = 0.424% QG2 ILE 100 - HA SER 88 5.556% * 0.2461% (0.27 0.02 0.02) = 0.246% QG2 ILE 100 - HA SER 27 5.556% * 0.2085% (0.23 0.02 0.02) = 0.208% QD1 LEU 90 - HA SER 27 5.556% * 0.1869% (0.21 0.02 0.02) = 0.187% Peak 827 (9.04, 0.95, 17.31 ppm): 2 chemical-shift based assignments, quality = 0.842, support = 3.08, residual support = 9.3: * HN GLY 30 - QG2 ILE 29 50.000% * 79.8661% (0.83 3.64 11.60) = 79.866% kept HN THR 79 - QG2 ILE 29 50.000% * 20.1339% (0.89 0.85 0.18) = 20.134% kept Peak 828 (7.85, 4.09, 58.60 ppm): 3 chemical-shift based assignments, quality = 0.387, support = 3.69, residual support = 22.4: * O HN LYS+ 63 - HA LYS+ 63 33.333% * 99.8381% (0.39 10.0 3.69 22.47) = 99.838% kept HN THR 38 - HA LYS+ 63 33.333% * 0.0920% (0.36 1.0 0.02 0.02) = 0.092% HD22 ASN 89 - HA LYS+ 63 33.333% * 0.0700% (0.27 1.0 0.02 0.02) = 0.070% Peak 829 (6.89, 0.94, 17.30 ppm): 3 chemical-shift based assignments, quality = 0.839, support = 1.55, residual support = 18.0: * QD PHE 21 - QG2 ILE 29 33.333% * 63.4273% (0.82 2.08 27.92) = 63.427% kept HD22 ASN 15 - QG2 ILE 29 33.333% * 25.4636% (0.97 0.71 0.59) = 25.464% kept HD21 ASN 119 - QG2 ILE 29 33.333% * 11.1092% (0.64 0.47 1.43) = 11.109% kept Peak 849 (4.31, 0.94, 17.30 ppm): 6 chemical-shift based assignments, quality = 0.953, support = 5.14, residual support = 61.0: * O T HA ILE 29 - QG2 ILE 29 16.667% * 99.4715% (0.96 10.0 10.00 5.17 61.33) = 99.472% kept T HA THR 106 - QG2 ILE 29 16.667% * 0.3132% (0.30 1.0 10.00 0.02 0.02) = 0.313% HA ALA 93 - QG2 ILE 29 16.667% * 0.1006% (0.97 1.0 1.00 0.02 0.02) = 0.101% HA ASP- 36 - QG2 ILE 29 16.667% * 0.0575% (0.55 1.0 1.00 0.02 0.02) = 0.057% HA CYS 121 - QG2 ILE 29 16.667% * 0.0346% (0.33 1.0 1.00 0.02 0.02) = 0.035% HB3 CYS 121 - QG2 ILE 29 16.667% * 0.0226% (0.22 1.0 1.00 0.02 0.02) = 0.023% Peak 851 (4.10, 1.48, 17.39 ppm): 6 chemical-shift based assignments, quality = 0.961, support = 2.25, residual support = 13.6: * O T HA ALA 70 - QB ALA 70 16.667% * 98.3628% (0.98 10.0 10.00 2.29 13.82) = 98.363% kept T HA LYS+ 63 - QB ALA 70 16.667% * 0.9814% (0.97 1.0 10.00 0.02 0.02) = 0.981% HB3 SER 49 - QB ALA 70 16.667% * 0.4729% (0.77 1.0 1.00 0.12 0.02) = 0.473% HA THR 46 - QB ALA 70 16.667% * 0.0822% (0.82 1.0 1.00 0.02 0.02) = 0.082% HA THR 24 - QB ALA 70 16.667% * 0.0788% (0.78 1.0 1.00 0.02 0.02) = 0.079% HA ARG+ 53 - QB ALA 70 16.667% * 0.0219% (0.22 1.0 1.00 0.02 0.02) = 0.022% Peak 865 (2.39, 0.94, 17.31 ppm): 5 chemical-shift based assignments, quality = 0.758, support = 1.98, residual support = 8.3: T HG2 PRO 112 - QG2 ILE 29 20.000% * 65.6548% (0.68 10.00 1.26 0.85) = 65.655% kept * HB3 ASP- 28 - QG2 ILE 29 20.000% * 28.9616% (0.96 1.00 3.95 26.71) = 28.962% kept T HB3 GLU- 50 - QG2 ILE 29 20.000% * 4.5922% (0.70 10.00 0.09 0.13) = 4.592% kept HB2 LYS+ 78 - QG2 ILE 29 20.000% * 0.7655% (0.93 1.00 0.11 0.02) = 0.765% HG3 GLU- 50 - QG2 ILE 29 20.000% * 0.0259% (0.17 1.00 0.02 0.13) = 0.026% Peak 885 (2.10, 2.14, 16.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 886 (2.09, 2.09, 17.21 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 898 (1.92, 0.95, 17.32 ppm): 13 chemical-shift based assignments, quality = 0.896, support = 3.12, residual support = 36.9: * O T HB ILE 29 - QG2 ILE 29 7.692% * 51.4148% (0.96 10.0 10.00 4.83 61.33) = 51.415% kept T HB2 LEU 23 - QG2 ILE 29 7.692% * 36.2668% (0.99 1.0 10.00 1.36 14.54) = 36.267% kept T HG2 PRO 112 - QG2 ILE 29 7.692% * 10.7900% (0.32 1.0 10.00 1.26 0.85) = 10.790% kept HB2 PRO 112 - QG2 ILE 29 7.692% * 1.1134% (0.73 1.0 1.00 0.57 0.85) = 1.113% kept T HB2 GLU- 75 - QG2 ILE 29 7.692% * 0.1999% (0.37 1.0 10.00 0.02 0.02) = 0.200% HD3 LYS+ 63 - QG2 ILE 29 7.692% * 0.0462% (0.86 1.0 1.00 0.02 0.02) = 0.046% HB3 GLN 102 - QG2 ILE 29 7.692% * 0.0366% (0.68 1.0 1.00 0.02 0.02) = 0.037% HB2 GLU- 10 - QG2 ILE 29 7.692% * 0.0366% (0.68 1.0 1.00 0.02 0.02) = 0.037% HB2 PRO 116 - QG2 ILE 29 7.692% * 0.0366% (0.68 1.0 1.00 0.02 0.02) = 0.037% HB3 ARG+ 53 - QG2 ILE 29 7.692% * 0.0219% (0.41 1.0 1.00 0.02 0.02) = 0.022% HB3 CYS 123 - QG2 ILE 29 7.692% * 0.0148% (0.28 1.0 1.00 0.02 0.02) = 0.015% HB3 LYS+ 55 - QG2 ILE 29 7.692% * 0.0119% (0.22 1.0 1.00 0.02 0.02) = 0.012% HG3 PRO 31 - QG2 ILE 29 7.692% * 0.0105% (0.20 1.0 1.00 0.02 0.02) = 0.011% Peak 901 (1.79, 4.09, 58.63 ppm): 12 chemical-shift based assignments, quality = 0.682, support = 2.39, residual support = 22.4: * O T HB3 LYS+ 63 - HA LYS+ 63 8.333% * 52.9007% (0.72 10.0 10.00 2.28 22.47) = 52.901% kept O HG3 LYS+ 63 - HA LYS+ 63 8.333% * 46.8146% (0.64 10.0 1.00 2.53 22.47) = 46.815% kept HB3 LYS+ 108 - HA LYS+ 63 8.333% * 0.0529% (0.72 1.0 1.00 0.02 0.02) = 0.053% HG2 PRO 31 - HA LYS+ 63 8.333% * 0.0484% (0.66 1.0 1.00 0.02 0.02) = 0.048% HG3 ARG+ 53 - HA LYS+ 63 8.333% * 0.0392% (0.54 1.0 1.00 0.02 0.02) = 0.039% HB2 ARG+ 84 - HA LYS+ 63 8.333% * 0.0284% (0.39 1.0 1.00 0.02 0.02) = 0.028% HG2 ARG+ 84 - HA LYS+ 63 8.333% * 0.0263% (0.36 1.0 1.00 0.02 0.02) = 0.026% HB2 GLU- 109 - HA LYS+ 63 8.333% * 0.0242% (0.33 1.0 1.00 0.02 0.02) = 0.024% HB3 GLU- 18 - HA LYS+ 63 8.333% * 0.0242% (0.33 1.0 1.00 0.02 0.02) = 0.024% HD3 LYS+ 72 - HA LYS+ 63 8.333% * 0.0184% (0.25 1.0 1.00 0.02 0.02) = 0.018% HG3 LYS+ 108 - HA LYS+ 63 8.333% * 0.0120% (0.16 1.0 1.00 0.02 0.02) = 0.012% HD3 LYS+ 117 - HA LYS+ 63 8.333% * 0.0107% (0.15 1.0 1.00 0.02 0.73) = 0.011% Peak 905 (1.74, 0.95, 17.40 ppm): 6 chemical-shift based assignments, quality = 0.599, support = 0.929, residual support = 12.5: T HB2 LEU 17 - QG2 ILE 29 16.667% * 60.9536% (0.49 10.00 0.76 17.13) = 60.954% kept HB ILE 48 - QG2 ILE 29 16.667% * 21.3010% (0.88 1.00 1.47 1.84) = 21.301% kept HB3 LEU 23 - QG2 ILE 29 16.667% * 11.4328% (0.78 1.00 0.89 14.54) = 11.433% kept HB2 GLN 16 - QG2 ILE 29 16.667% * 5.9528% (0.42 1.00 0.87 0.02) = 5.953% kept HB2 LYS+ 117 - QG2 ILE 29 16.667% * 0.2450% (0.74 1.00 0.02 0.02) = 0.245% HD3 PRO 59 - QG2 ILE 29 16.667% * 0.1148% (0.35 1.00 0.02 0.02) = 0.115% Peak 910 (1.58, 0.95, 17.36 ppm): 12 chemical-shift based assignments, quality = 0.561, support = 4.19, residual support = 32.4: T HG LEU 17 - QG2 ILE 29 8.333% * 53.5713% (0.75 1.0 10.00 4.53 17.13) = 53.571% kept * O HG12 ILE 29 - QG2 ILE 29 8.333% * 23.9112% (0.33 10.0 1.00 4.62 61.33) = 23.911% kept O HG13 ILE 29 - QG2 ILE 29 8.333% * 13.8724% (0.19 10.0 1.00 4.59 61.33) = 13.872% kept T HD3 LYS+ 60 - QG2 ILE 29 8.333% * 8.1723% (0.67 1.0 10.00 0.34 0.02) = 8.172% kept T QB ALA 42 - QG2 ILE 29 8.333% * 0.2391% (0.33 1.0 10.00 0.02 0.02) = 0.239% HB3 LYS+ 32 - QG2 ILE 29 8.333% * 0.0608% (0.85 1.0 1.00 0.02 0.02) = 0.061% HB ILE 19 - QG2 ILE 29 8.333% * 0.0561% (0.78 1.0 1.00 0.02 0.02) = 0.056% HD3 LYS+ 81 - QG2 ILE 29 8.333% * 0.0425% (0.59 1.0 1.00 0.02 0.02) = 0.043% HD3 LYS+ 32 - QG2 ILE 29 8.333% * 0.0263% (0.37 1.0 1.00 0.02 0.02) = 0.026% HB3 LEU 90 - QG2 ILE 29 8.333% * 0.0195% (0.27 1.0 1.00 0.02 0.02) = 0.019% HB3 PRO 52 - QG2 ILE 29 8.333% * 0.0175% (0.24 1.0 1.00 0.02 3.62) = 0.017% HG2 LYS+ 110 - QG2 ILE 29 8.333% * 0.0108% (0.15 1.0 1.00 0.02 0.02) = 0.011% Peak 911 (1.50, 4.07, 58.65 ppm): 5 chemical-shift based assignments, quality = 0.118, support = 0.0304, residual support = 0.241: T QB ALA 70 - HA LYS+ 63 20.000% * 50.0934% (0.09 10.00 0.02 0.02) = 50.093% kept HB3 LYS+ 44 - HA LYS+ 63 20.000% * 17.9546% (0.08 1.00 0.08 1.25) = 17.955% kept HD3 LYS+ 108 - HA LYS+ 63 20.000% * 11.1485% (0.20 1.00 0.02 0.02) = 11.148% kept HB2 LYS+ 72 - HA LYS+ 63 20.000% * 10.7830% (0.19 1.00 0.02 0.02) = 10.783% kept HG3 LYS+ 72 - HA LYS+ 63 20.000% * 10.0205% (0.18 1.00 0.02 0.02) = 10.021% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 913 (1.48, 1.48, 17.38 ppm): 1 diagonal assignment: * QB ALA 70 - QB ALA 70 (0.98) kept Peak 920 (1.15, 1.15, 17.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 923 (0.95, 0.94, 17.31 ppm): 1 diagonal assignment: * QG2 ILE 29 - QG2 ILE 29 (0.99) kept Peak 926 (9.08, 4.13, 58.46 ppm): 4 chemical-shift based assignments, quality = 0.512, support = 4.39, residual support = 30.1: * O HN GLU- 54 - HA ARG+ 53 25.000% * 94.3531% (0.51 10.0 4.61 31.86) = 94.353% kept HN LYS+ 66 - HA ARG+ 53 25.000% * 4.4637% (0.59 1.0 0.82 0.02) = 4.464% kept HN GLU- 54 - HA LYS+ 63 25.000% * 1.1254% (0.27 1.0 0.45 0.02) = 1.125% kept HN LYS+ 66 - HA LYS+ 63 25.000% * 0.0578% (0.31 1.0 0.02 0.02) = 0.058% Peak 927 (8.97, 0.02, 16.80 ppm): 6 chemical-shift based assignments, quality = 0.775, support = 4.83, residual support = 49.4: * HN ILE 19 - QG2 ILE 19 16.667% * 46.4526% (0.96 5.86 96.68) = 46.453% kept HN MET 97 - QG2 ILE 19 16.667% * 29.6960% (0.80 4.48 8.12) = 29.696% kept HN LEU 17 - QG2 ILE 19 16.667% * 10.4792% (0.62 2.04 13.76) = 10.479% kept HN THR 96 - QG2 ILE 19 16.667% * 8.7125% (0.19 5.54 5.73) = 8.713% kept HN PHE 21 - QG2 ILE 19 16.667% * 2.6172% (0.13 2.44 4.21) = 2.617% kept HN ARG+ 22 - QG2 ILE 19 16.667% * 2.0425% (0.24 1.03 1.47) = 2.042% kept Peak 928 (8.61, 0.02, 16.86 ppm): 4 chemical-shift based assignments, quality = 0.693, support = 5.98, residual support = 41.8: * HN LYS+ 20 - QG2 ILE 19 25.000% * 92.2371% (0.73 6.44 45.32) = 92.237% kept HN SER 85 - QG2 ILE 19 25.000% * 3.9231% (0.45 0.44 0.02) = 3.923% kept HN THR 39 - QG2 ILE 19 25.000% * 2.3405% (0.17 0.68 0.14) = 2.341% kept HN VAL 80 - QG2 ILE 19 25.000% * 1.4993% (0.15 0.49 0.02) = 1.499% kept Peak 929 (8.44, 4.13, 58.51 ppm): 12 chemical-shift based assignments, quality = 0.656, support = 4.51, residual support = 35.9: * O HN ARG+ 53 - HA ARG+ 53 8.333% * 92.5497% (0.66 10.0 4.81 38.79) = 92.550% kept HN CYS 123 - HA ARG+ 53 8.333% * 4.6325% (0.62 1.0 1.05 0.11) = 4.632% kept HN LEU 74 - HA ARG+ 53 8.333% * 2.5363% (0.77 1.0 0.47 0.02) = 2.536% kept HN LEU 74 - HA LYS+ 63 8.333% * 0.0494% (0.35 1.0 0.02 0.02) = 0.049% HN GLU- 107 - HA ARG+ 53 8.333% * 0.0455% (0.32 1.0 0.02 0.02) = 0.045% HN ARG+ 53 - HA LYS+ 63 8.333% * 0.0421% (0.30 1.0 0.02 0.02) = 0.042% HN CYS 123 - HA LYS+ 63 8.333% * 0.0400% (0.28 1.0 0.02 0.02) = 0.040% HN LYS+ 117 - HA ARG+ 53 8.333% * 0.0337% (0.24 1.0 0.02 0.02) = 0.034% HN GLY 92 - HA ARG+ 53 8.333% * 0.0240% (0.17 1.0 0.02 0.02) = 0.024% HN GLU- 107 - HA LYS+ 63 8.333% * 0.0207% (0.15 1.0 0.02 0.02) = 0.021% HN LYS+ 117 - HA LYS+ 63 8.333% * 0.0153% (0.11 1.0 0.02 0.73) = 0.015% HN GLY 92 - HA LYS+ 63 8.333% * 0.0109% (0.08 1.0 0.02 0.02) = 0.011% Peak 930 (7.34, 0.02, 16.81 ppm): 7 chemical-shift based assignments, quality = 0.832, support = 2.39, residual support = 18.9: HZ PHE 34 - QG2 ILE 19 14.286% * 39.3643% (0.93 2.98 22.00) = 39.364% kept * QE PHE 34 - QG2 ILE 19 14.286% * 23.3958% (0.93 1.77 22.00) = 23.396% kept QD PHE 34 - QG2 ILE 19 14.286% * 22.8903% (0.55 2.96 22.00) = 22.890% kept HZ2 TRP 51 - QG2 ILE 19 14.286% * 12.3687% (0.93 0.94 0.48) = 12.369% kept HN VAL 47 - QG2 ILE 19 14.286% * 1.8104% (0.47 0.27 0.02) = 1.810% kept HN ARG+ 84 - QG2 ILE 19 14.286% * 0.1226% (0.43 0.02 0.02) = 0.123% HE22 GLN 102 - QG2 ILE 19 14.286% * 0.0479% (0.17 0.02 0.02) = 0.048% Peak 931 (4.87, 0.02, 16.86 ppm): 3 chemical-shift based assignments, quality = 0.634, support = 5.62, residual support = 82.5: * O HA ILE 19 - QG2 ILE 19 33.333% * 84.4319% (0.65 10.0 5.89 96.68) = 84.432% kept HA THR 96 - QG2 ILE 19 33.333% * 15.4591% (0.57 1.0 4.18 5.73) = 15.459% kept HA ASP- 115 - QG2 ILE 19 33.333% * 0.1090% (0.84 1.0 0.02 0.02) = 0.109% Peak 933 (4.12, 4.12, 58.42 ppm): 2 diagonal assignments: * HA ARG+ 53 - HA ARG+ 53 (0.47) kept HA LYS+ 63 - HA LYS+ 63 (0.24) kept Peak 934 (3.74, 3.73, 58.36 ppm): 1 diagonal assignment: * HA LEU 43 - HA LEU 43 (0.93) kept Peak 935 (2.25, 0.02, 16.85 ppm): 14 chemical-shift based assignments, quality = 0.723, support = 0.527, residual support = 1.02: T HG3 GLN 16 - QG2 ILE 19 7.143% * 43.9151% (0.73 10.00 0.24 1.50) = 43.915% kept HG2 PRO 112 - QG2 ILE 19 7.143% * 22.7985% (0.99 1.00 0.91 1.03) = 22.799% kept HB3 PRO 112 - QG2 ILE 19 7.143% * 11.2031% (0.36 1.00 1.22 1.03) = 11.203% kept HB3 ASN 15 - QG2 ILE 19 7.143% * 10.3610% (0.90 1.00 0.46 0.02) = 10.361% kept HB VAL 80 - QG2 ILE 19 7.143% * 5.2948% (0.57 1.00 0.37 0.02) = 5.295% kept HB3 LYS+ 117 - QG2 ILE 19 7.143% * 3.4054% (0.49 1.00 0.28 0.02) = 3.405% kept T HG3 GLN 102 - QG2 ILE 19 7.143% * 0.8835% (0.17 10.00 0.02 0.02) = 0.883% HG3 GLU- 107 - QG2 ILE 19 7.143% * 0.4772% (0.94 1.00 0.02 0.02) = 0.477% HG3 GLU- 54 - QG2 ILE 19 7.143% * 0.4524% (0.90 1.00 0.02 0.02) = 0.452% HG3 GLU- 10 - QG2 ILE 19 7.143% * 0.3855% (0.76 1.00 0.02 0.02) = 0.386% HB3 GLU- 45 - QG2 ILE 19 7.143% * 0.3263% (0.65 1.00 0.02 0.02) = 0.326% HG3 GLU- 75 - QG2 ILE 19 7.143% * 0.2455% (0.49 1.00 0.02 0.02) = 0.246% HB2 PRO 52 - QG2 ILE 19 7.143% * 0.1258% (0.25 1.00 0.02 0.02) = 0.126% HG3 GLU- 109 - QG2 ILE 19 7.143% * 0.1258% (0.25 1.00 0.02 0.02) = 0.126% Reference assignment not found: HG3 MET 97 - QG2 ILE 19 Peak 938 (1.90, 4.13, 58.43 ppm): 26 chemical-shift based assignments, quality = 0.566, support = 3.76, residual support = 36.3: * O HB3 ARG+ 53 - HA ARG+ 53 3.846% * 89.4360% (0.61 10.0 4.00 38.79) = 89.436% kept HD3 PRO 52 - HA ARG+ 53 3.846% * 3.9971% (0.20 1.0 2.74 23.27) = 3.997% kept HD3 LYS+ 63 - HA LYS+ 63 3.846% * 3.1599% (0.20 1.0 2.16 22.47) = 3.160% kept HB3 CYS 123 - HA ARG+ 53 3.846% * 1.6030% (0.64 1.0 0.34 0.11) = 1.603% kept HD3 LYS+ 63 - HA ARG+ 53 3.846% * 0.9293% (0.34 1.0 0.37 0.02) = 0.929% HG2 GLU- 18 - HA ARG+ 53 3.846% * 0.0894% (0.61 1.0 0.02 0.02) = 0.089% HB3 GLN 16 - HA ARG+ 53 3.846% * 0.0894% (0.61 1.0 0.02 0.02) = 0.089% HB2 PRO 112 - HA ARG+ 53 3.846% * 0.0823% (0.56 1.0 0.02 0.02) = 0.082% HB3 GLN 102 - HA ARG+ 53 3.846% * 0.0687% (0.46 1.0 0.02 0.02) = 0.069% HB3 CYS 123 - HA LYS+ 63 3.846% * 0.0555% (0.38 1.0 0.02 0.02) = 0.056% HB3 ARG+ 53 - HA LYS+ 63 3.846% * 0.0527% (0.36 1.0 0.02 0.02) = 0.053% HB3 GLN 16 - HA LYS+ 63 3.846% * 0.0527% (0.36 1.0 0.02 0.02) = 0.053% HG2 GLU- 18 - HA LYS+ 63 3.846% * 0.0527% (0.36 1.0 0.02 0.02) = 0.053% HG3 LYS+ 120 - HA ARG+ 53 3.846% * 0.0497% (0.34 1.0 0.02 0.02) = 0.050% HB2 PRO 112 - HA LYS+ 63 3.846% * 0.0485% (0.33 1.0 0.02 0.02) = 0.048% HB3 GLN 102 - HA LYS+ 63 3.846% * 0.0404% (0.27 1.0 0.02 0.02) = 0.040% HG3 LYS+ 120 - HA LYS+ 63 3.846% * 0.0293% (0.20 1.0 0.02 0.02) = 0.029% HB3 ARG+ 84 - HA ARG+ 53 3.846% * 0.0263% (0.18 1.0 0.02 0.02) = 0.026% HB2 LEU 23 - HA ARG+ 53 3.846% * 0.0263% (0.18 1.0 0.02 0.20) = 0.026% HG2 PRO 112 - HA ARG+ 53 3.846% * 0.0249% (0.17 1.0 0.02 0.02) = 0.025% HD3 PRO 52 - HA LYS+ 63 3.846% * 0.0172% (0.12 1.0 0.02 1.23) = 0.017% HB2 LEU 23 - HA LYS+ 63 3.846% * 0.0155% (0.10 1.0 0.02 0.02) = 0.015% HB3 ARG+ 84 - HA LYS+ 63 3.846% * 0.0155% (0.10 1.0 0.02 0.02) = 0.015% HG2 PRO 112 - HA LYS+ 63 3.846% * 0.0147% (0.10 1.0 0.02 0.02) = 0.015% HB ILE 29 - HA ARG+ 53 3.846% * 0.0146% (0.10 1.0 0.02 0.02) = 0.015% HB ILE 29 - HA LYS+ 63 3.846% * 0.0086% (0.06 1.0 0.02 0.02) = 0.009% Peak 940 (1.65, 0.02, 16.87 ppm): 13 chemical-shift based assignments, quality = 0.48, support = 1.37, residual support = 6.82: T HB3 MET 97 - QG2 ILE 19 7.692% * 81.7350% (0.41 10.00 1.49 8.12) = 81.735% kept HG2 ARG+ 22 - QG2 ILE 19 7.692% * 12.9969% (0.98 1.00 1.00 1.47) = 12.997% kept HB3 MET 126 - QG2 ILE 19 7.692% * 2.8242% (0.34 1.00 0.62 0.02) = 2.824% kept T HB3 LYS+ 66 - QG2 ILE 19 7.692% * 1.5079% (0.56 10.00 0.02 0.02) = 1.508% kept HG3 ARG+ 84 - QG2 ILE 19 7.692% * 0.2035% (0.76 1.00 0.02 0.02) = 0.204% HB ILE 100 - QG2 ILE 19 7.692% * 0.1401% (0.52 1.00 0.02 0.02) = 0.140% HG LEU 23 - QG2 ILE 19 7.692% * 0.1194% (0.45 1.00 0.02 0.02) = 0.119% HG12 ILE 101 - QG2 ILE 19 7.692% * 0.1000% (0.37 1.00 0.02 0.02) = 0.100% HB ILE 68 - QG2 ILE 19 7.692% * 0.0908% (0.34 1.00 0.02 0.02) = 0.091% HG LEU 43 - QG2 ILE 19 7.692% * 0.0908% (0.34 1.00 0.02 0.02) = 0.091% HB VAL 122 - QG2 ILE 19 7.692% * 0.0908% (0.34 1.00 0.02 0.02) = 0.091% HB3 LYS+ 81 - QG2 ILE 19 7.692% * 0.0593% (0.22 1.00 0.02 0.02) = 0.059% HG3 LYS+ 78 - QG2 ILE 19 7.692% * 0.0411% (0.15 1.00 0.02 0.02) = 0.041% Reference assignment not found: HG13 ILE 19 - QG2 ILE 19 Peak 941 (1.16, 3.74, 58.38 ppm): 5 chemical-shift based assignments, quality = 0.891, support = 4.11, residual support = 150.4: * O T HB2 LEU 43 - HA LEU 43 20.000% * 83.4409% (0.95 10.0 10.00 4.80 179.96) = 83.441% kept T HB2 LEU 74 - HA LEU 43 20.000% * 16.3504% (0.60 1.0 10.00 0.62 1.31) = 16.350% kept HG3 PRO 59 - HA LEU 43 20.000% * 0.0857% (0.98 1.0 1.00 0.02 0.02) = 0.086% QG2 THR 106 - HA LEU 43 20.000% * 0.0775% (0.88 1.0 1.00 0.02 0.02) = 0.078% QB ALA 33 - HA LEU 43 20.000% * 0.0455% (0.52 1.0 1.00 0.02 0.02) = 0.045% Peak 942 (1.09, 0.02, 16.90 ppm): 3 chemical-shift based assignments, quality = 0.771, support = 3.28, residual support = 31.0: * T QG2 THR 95 - QG2 ILE 19 33.333% * 91.0004% (0.81 10.00 3.52 34.03) = 91.000% kept T QG2 THR 61 - QG2 ILE 19 33.333% * 4.7030% (0.15 10.00 0.56 0.47) = 4.703% kept QG2 THR 79 - QG2 ILE 19 33.333% * 4.2966% (0.70 1.00 1.09 0.02) = 4.297% kept Peak 945 (0.69, 0.02, 16.84 ppm): 10 chemical-shift based assignments, quality = 0.951, support = 5.8, residual support = 84.4: T QD1 ILE 19 - QG2 ILE 19 10.000% * 44.2131% (1.00 1.0 10.00 6.48 96.68) = 44.213% kept * O T HG12 ILE 19 - QG2 ILE 19 10.000% * 42.7636% (0.96 10.0 10.00 5.91 96.68) = 42.764% kept QG2 VAL 94 - QG2 ILE 19 10.000% * 7.7404% (0.98 1.0 1.00 3.56 0.38) = 7.740% kept QG2 THR 96 - QG2 ILE 19 10.000% * 4.0884% (0.57 1.0 1.00 3.26 5.73) = 4.088% kept QG2 ILE 68 - QG2 ILE 19 10.000% * 0.5383% (0.98 1.0 1.00 0.25 0.02) = 0.538% QG1 VAL 62 - QG2 ILE 19 10.000% * 0.5317% (0.53 1.0 1.00 0.46 0.12) = 0.532% QG2 ILE 48 - QG2 ILE 19 10.000% * 0.0440% (0.99 1.0 1.00 0.02 0.02) = 0.044% QG2 ILE 101 - QG2 ILE 19 10.000% * 0.0397% (0.89 1.0 1.00 0.02 0.02) = 0.040% QG1 VAL 65 - QG2 ILE 19 10.000% * 0.0339% (0.76 1.0 1.00 0.02 0.02) = 0.034% HG LEU 74 - QG2 ILE 19 10.000% * 0.0068% (0.15 1.0 1.00 0.02 0.02) = 0.007% Peak 946 (0.18, 0.03, 16.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 947 (0.02, 0.02, 16.85 ppm): 1 diagonal assignment: * QG2 ILE 19 - QG2 ILE 19 (1.00) kept Peak 948 (-0.11, 3.73, 58.40 ppm): 1 chemical-shift based assignment, quality = 0.947, support = 5.6, residual support = 180.0: * T QD1 LEU 43 - HA LEU 43 100.000% *100.0000% (0.95 10.00 5.60 179.96) = 100.000% kept Peak 949 (-0.25, 0.03, 16.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 950 (8.25, 0.72, 16.73 ppm): 9 chemical-shift based assignments, quality = 0.548, support = 3.44, residual support = 16.6: * HN SER 49 - QG2 ILE 48 11.111% * 56.1733% (0.46 5.46 28.98) = 56.173% kept HN GLY 58 - QG2 ILE 48 11.111% * 16.4191% (0.59 1.24 1.16) = 16.419% kept HN ASP- 115 - QG2 ILE 48 11.111% * 14.0211% (0.71 0.89 0.62) = 14.021% kept HN LEU 67 - QG2 ILE 48 11.111% * 7.3323% (0.68 0.48 0.17) = 7.332% kept HN THR 106 - QG2 ILE 48 11.111% * 3.6140% (0.75 0.22 0.02) = 3.614% kept HN LYS+ 81 - QG2 ILE 48 11.111% * 1.9998% (0.68 0.13 0.25) = 2.000% kept HN GLU- 12 - QG2 ILE 48 11.111% * 0.3353% (0.75 0.02 0.02) = 0.335% HN ASN 89 - QG2 ILE 48 11.111% * 0.0560% (0.13 0.02 0.02) = 0.056% HN VAL 94 - QG2 ILE 48 11.111% * 0.0492% (0.11 0.02 0.02) = 0.049% Peak 951 (7.31, 0.71, 16.70 ppm): 7 chemical-shift based assignments, quality = 0.579, support = 5.24, residual support = 76.9: * HN ILE 48 - QG2 ILE 48 14.286% * 42.0524% (0.56 6.70 149.82) = 42.052% kept HN VAL 47 - QG2 ILE 48 14.286% * 39.7763% (0.66 5.44 34.45) = 39.776% kept QD PHE 34 - QG2 ILE 48 14.286% * 11.5896% (0.60 1.75 1.37) = 11.590% kept QE PHE 34 - QG2 ILE 48 14.286% * 3.1235% (0.23 1.23 1.37) = 3.123% kept HZ PHE 34 - QG2 ILE 48 14.286% * 2.4512% (0.23 0.96 1.37) = 2.451% kept HN ARG+ 84 - QG2 ILE 48 14.286% * 0.7256% (0.68 0.10 0.02) = 0.726% HZ2 TRP 51 - QG2 ILE 48 14.286% * 0.2814% (0.23 0.11 0.02) = 0.281% Peak 952 (4.37, 0.72, 16.75 ppm): 9 chemical-shift based assignments, quality = 0.708, support = 0.6, residual support = 1.94: HA LYS+ 60 - QG2 ILE 48 11.111% * 41.7508% (0.74 0.89 1.89) = 41.751% kept * HB THR 61 - QG2 ILE 48 11.111% * 25.8845% (0.80 0.51 4.28) = 25.885% kept HA SER 27 - QG2 ILE 48 11.111% * 16.7879% (0.64 0.41 0.26) = 16.788% kept HA2 GLY 26 - QG2 ILE 48 11.111% * 10.0731% (0.78 0.20 0.02) = 10.073% kept HA ASN 57 - QG2 ILE 48 11.111% * 2.6497% (0.12 0.34 0.02) = 2.650% kept HA TRP 51 - QG2 ILE 48 11.111% * 0.9657% (0.76 0.02 0.02) = 0.966% HA ALA 37 - QG2 ILE 48 11.111% * 0.8527% (0.67 0.02 0.02) = 0.853% HA ALA 91 - QG2 ILE 48 11.111% * 0.5779% (0.46 0.02 0.02) = 0.578% HA SER 88 - QG2 ILE 48 11.111% * 0.4577% (0.36 0.02 0.02) = 0.458% Peak 953 (3.44, 0.72, 16.73 ppm): 5 chemical-shift based assignments, quality = 0.772, support = 4.38, residual support = 86.8: * O T HA ILE 48 - QG2 ILE 48 20.000% * 55.2146% (0.80 10.0 10.00 6.68 149.82) = 55.215% kept T HA VAL 62 - QG2 ILE 48 20.000% * 42.3855% (0.75 1.0 10.00 1.63 9.55) = 42.385% kept T HA VAL 40 - QG2 ILE 48 20.000% * 2.3635% (0.40 1.0 10.00 0.17 0.02) = 2.364% kept HA VAL 80 - QG2 ILE 48 20.000% * 0.0253% (0.37 1.0 1.00 0.02 0.02) = 0.025% HD3 PRO 31 - QG2 ILE 48 20.000% * 0.0111% (0.16 1.0 1.00 0.02 0.02) = 0.011% Peak 954 (1.74, 0.72, 16.71 ppm): 6 chemical-shift based assignments, quality = 0.745, support = 5.46, residual support = 116.4: * O T HB ILE 48 - QG2 ILE 48 16.667% * 77.6694% (0.80 10.0 10.00 6.91 149.82) = 77.669% kept T HB3 LEU 23 - QG2 ILE 48 16.667% * 11.8107% (0.74 1.0 10.00 0.33 0.33) = 11.811% kept T HD3 PRO 59 - QG2 ILE 48 16.667% * 9.9159% (0.39 1.0 10.00 0.52 0.02) = 9.916% kept T HB2 LEU 17 - QG2 ILE 48 16.667% * 0.5069% (0.52 1.0 10.00 0.02 0.02) = 0.507% HB2 LYS+ 117 - QG2 ILE 48 16.667% * 0.0703% (0.72 1.0 1.00 0.02 0.02) = 0.070% HB2 GLN 16 - QG2 ILE 48 16.667% * 0.0267% (0.27 1.0 1.00 0.02 0.02) = 0.027% Peak 955 (1.47, 0.72, 16.70 ppm): 7 chemical-shift based assignments, quality = 0.568, support = 3.99, residual support = 83.7: * O HG13 ILE 48 - QG2 ILE 48 14.286% * 55.7346% (0.52 10.0 1.00 6.37 149.82) = 55.735% kept T HB3 LYS+ 44 - QG2 ILE 48 14.286% * 33.1960% (0.64 1.0 10.00 0.98 0.51) = 33.196% kept HB3 LEU 67 - QG2 ILE 48 14.286% * 4.7906% (0.72 1.0 1.00 1.25 0.17) = 4.791% kept QB ALA 70 - QG2 ILE 48 14.286% * 2.5742% (0.61 1.0 1.00 0.79 0.02) = 2.574% kept HG3 LYS+ 60 - QG2 ILE 48 14.286% * 2.5319% (0.37 1.0 1.00 1.28 1.89) = 2.532% kept HG2 PRO 59 - QG2 ILE 48 14.286% * 1.1001% (0.37 1.0 1.00 0.56 0.02) = 1.100% kept HG3 PRO 52 - QG2 ILE 48 14.286% * 0.0728% (0.69 1.0 1.00 0.02 0.02) = 0.073% Peak 960 (0.72, 0.72, 16.73 ppm): 1 diagonal assignment: * QG2 ILE 48 - QG2 ILE 48 (0.63) kept Peak 963 (0.40, 0.72, 16.73 ppm): 2 chemical-shift based assignments, quality = 0.706, support = 5.99, residual support = 149.8: * T QD1 ILE 48 - QG2 ILE 48 50.000% * 50.0000% (0.71 1.0 10.00 6.33 149.82) = 50.000% kept O T HG12 ILE 48 - QG2 ILE 48 50.000% * 50.0000% (0.71 10.0 10.00 5.66 149.82) = 50.000% kept Peak 966 (9.09, 4.24, 57.49 ppm): 4 chemical-shift based assignments, quality = 0.309, support = 3.78, residual support = 18.3: * O HN GLU- 54 - HA GLU- 54 25.000% * 98.8067% (0.31 10.0 3.82 18.51) = 98.807% kept HN LYS+ 66 - HA GLU- 54 25.000% * 1.1577% (0.37 1.0 0.20 0.02) = 1.158% kept HN LYS+ 66 - HA ASP- 82 25.000% * 0.0194% (0.06 1.0 0.02 0.02) = 0.019% HN GLU- 54 - HA ASP- 82 25.000% * 0.0162% (0.05 1.0 0.02 0.62) = 0.016% Peak 967 (7.82, 4.24, 57.54 ppm): 6 chemical-shift based assignments, quality = 0.47, support = 2.99, residual support = 12.2: * O HN LYS+ 55 - HA GLU- 54 16.667% * 99.3231% (0.47 10.0 3.01 12.25) = 99.323% kept HN LYS+ 63 - HA GLU- 54 16.667% * 0.6087% (0.60 1.0 0.10 0.02) = 0.609% HN ALA 93 - HA GLU- 54 16.667% * 0.0513% (0.24 1.0 0.02 0.02) = 0.051% HN LYS+ 63 - HA ASP- 82 16.667% * 0.0077% (0.04 1.0 0.02 0.02) = 0.008% HN LYS+ 55 - HA ASP- 82 16.667% * 0.0060% (0.03 1.0 0.02 0.12) = 0.006% HN ALA 93 - HA ASP- 82 16.667% * 0.0031% (0.01 1.0 0.02 0.16) = 0.003% Peak 972 (2.51, 4.29, 57.24 ppm): 35 chemical-shift based assignments, quality = 0.54, support = 1.89, residual support = 19.2: * O HB2 ASP- 36 - HA ASP- 36 2.857% * 95.3991% (0.56 10.0 1.93 20.13) = 95.399% kept HG2 PRO 112 - HA ASP- 36 2.857% * 2.2891% (0.23 1.0 1.11 1.46) = 2.289% kept HG2 PRO 112 - HA GLU- 56 2.857% * 1.3991% (0.12 1.0 1.34 0.14) = 1.399% kept HG2 PRO 112 - HA GLU- 64 2.857% * 0.1882% (0.05 1.0 0.43 0.02) = 0.188% HB3 PRO 59 - HA ASP- 36 2.857% * 0.1138% (0.64 1.0 0.02 0.02) = 0.114% HB3 PRO 59 - HA GLU- 56 2.857% * 0.0574% (0.32 1.0 0.02 0.02) = 0.057% HB2 ASP- 36 - HA GLU- 56 2.857% * 0.0498% (0.28 1.0 0.02 0.02) = 0.050% HB3 PRO 59 - HA SER 85 2.857% * 0.0485% (0.27 1.0 0.02 0.02) = 0.049% HB2 ASP- 36 - HA SER 85 2.857% * 0.0421% (0.24 1.0 0.02 0.02) = 0.042% HB2 ASP- 115 - HA ASP- 36 2.857% * 0.0380% (0.22 1.0 0.02 0.02) = 0.038% HG3 MET 118 - HA ASP- 36 2.857% * 0.0307% (0.17 1.0 0.02 0.02) = 0.031% HG3 PRO 35 - HA ASP- 36 2.857% * 0.0307% (0.17 1.0 0.02 16.09) = 0.031% HB3 PRO 59 - HA GLU- 75 2.857% * 0.0276% (0.16 1.0 0.02 0.22) = 0.028% HB3 PRO 59 - HA GLU- 64 2.857% * 0.0241% (0.14 1.0 0.02 0.02) = 0.024% HB2 ASP- 36 - HA GLU- 75 2.857% * 0.0239% (0.14 1.0 0.02 0.02) = 0.024% HB VAL 40 - HA ASP- 36 2.857% * 0.0216% (0.12 1.0 0.02 0.02) = 0.022% HB2 ASP- 36 - HA GLU- 64 2.857% * 0.0209% (0.12 1.0 0.02 0.02) = 0.021% HB2 ASP- 115 - HA GLU- 56 2.857% * 0.0192% (0.11 1.0 0.02 0.02) = 0.019% HG2 PRO 112 - HA SER 85 2.857% * 0.0177% (0.10 1.0 0.02 0.02) = 0.018% HB2 ASP- 115 - HA SER 85 2.857% * 0.0162% (0.09 1.0 0.02 0.02) = 0.016% HG3 MET 118 - HA GLU- 56 2.857% * 0.0155% (0.09 1.0 0.02 0.02) = 0.015% HG3 PRO 35 - HA GLU- 56 2.857% * 0.0155% (0.09 1.0 0.02 0.02) = 0.015% HG3 MET 118 - HA SER 85 2.857% * 0.0131% (0.07 1.0 0.02 0.02) = 0.013% HG3 PRO 35 - HA SER 85 2.857% * 0.0131% (0.07 1.0 0.02 0.02) = 0.013% HB VAL 40 - HA GLU- 56 2.857% * 0.0109% (0.06 1.0 0.02 0.53) = 0.011% HG2 PRO 112 - HA GLU- 75 2.857% * 0.0100% (0.06 1.0 0.02 0.30) = 0.010% HB2 ASP- 115 - HA GLU- 75 2.857% * 0.0092% (0.05 1.0 0.02 0.02) = 0.009% HB VAL 40 - HA SER 85 2.857% * 0.0092% (0.05 1.0 0.02 0.02) = 0.009% HB2 ASP- 115 - HA GLU- 64 2.857% * 0.0081% (0.05 1.0 0.02 0.02) = 0.008% HG3 MET 118 - HA GLU- 75 2.857% * 0.0074% (0.04 1.0 0.02 0.02) = 0.007% HG3 PRO 35 - HA GLU- 75 2.857% * 0.0074% (0.04 1.0 0.02 0.02) = 0.007% HG3 MET 118 - HA GLU- 64 2.857% * 0.0065% (0.04 1.0 0.02 0.02) = 0.007% HG3 PRO 35 - HA GLU- 64 2.857% * 0.0065% (0.04 1.0 0.02 0.02) = 0.007% HB VAL 40 - HA GLU- 75 2.857% * 0.0052% (0.03 1.0 0.02 0.87) = 0.005% HB VAL 40 - HA GLU- 64 2.857% * 0.0046% (0.03 1.0 0.02 0.02) = 0.005% Peak 975 (8.82, 4.27, 57.06 ppm): 27 chemical-shift based assignments, quality = 0.883, support = 3.12, residual support = 9.86: * O HN ASN 57 - HA GLU- 56 3.704% * 88.6295% (0.89 10.0 3.44 11.12) = 88.629% kept HN ASN 57 - HA GLU- 75 3.704% * 3.6797% (0.82 1.0 0.90 0.02) = 3.680% kept HN LYS+ 60 - HA GLU- 75 3.704% * 3.0418% (0.91 1.0 0.67 0.18) = 3.042% kept HN LYS+ 32 - HA GLU- 75 3.704% * 2.6342% (0.89 1.0 0.60 0.02) = 2.634% kept HN ASN 57 - HA GLU- 64 3.704% * 1.0928% (0.78 1.0 0.28 0.02) = 1.093% kept HN LYS+ 60 - HA GLU- 56 3.704% * 0.0980% (0.99 1.0 0.02 0.02) = 0.098% HN LYS+ 32 - HA GLU- 56 3.704% * 0.0954% (0.96 1.0 0.02 0.02) = 0.095% HN LYS+ 60 - HA SER 85 3.704% * 0.0870% (0.88 1.0 0.02 0.02) = 0.087% HN LYS+ 60 - HA GLU- 64 3.704% * 0.0856% (0.86 1.0 0.02 0.02) = 0.086% HN LYS+ 32 - HA SER 85 3.704% * 0.0847% (0.86 1.0 0.02 0.02) = 0.085% HN LYS+ 32 - HA GLU- 64 3.704% * 0.0833% (0.84 1.0 0.02 0.02) = 0.083% HN ASN 57 - HA SER 85 3.704% * 0.0787% (0.79 1.0 0.02 0.02) = 0.079% HN LYS+ 60 - HA GLU- 107 3.704% * 0.0348% (0.35 1.0 0.02 0.02) = 0.035% HN LYS+ 32 - HA GLU- 107 3.704% * 0.0339% (0.34 1.0 0.02 0.02) = 0.034% HN ASN 57 - HA GLU- 107 3.704% * 0.0315% (0.32 1.0 0.02 0.02) = 0.032% HN LYS+ 60 - HA ARG+ 84 3.704% * 0.0300% (0.30 1.0 0.02 0.02) = 0.030% HN LYS+ 32 - HA ARG+ 84 3.704% * 0.0292% (0.30 1.0 0.02 0.02) = 0.029% HN ASN 57 - HA ARG+ 84 3.704% * 0.0272% (0.27 1.0 0.02 0.02) = 0.027% HN LYS+ 60 - HA LYS+ 108 3.704% * 0.0174% (0.18 1.0 0.02 0.02) = 0.017% HN LYS+ 32 - HA LYS+ 108 3.704% * 0.0170% (0.17 1.0 0.02 0.02) = 0.017% HN LYS+ 60 - HA GLU- 10 3.704% * 0.0169% (0.17 1.0 0.02 0.02) = 0.017% HN LYS+ 32 - HA GLU- 10 3.704% * 0.0165% (0.17 1.0 0.02 0.02) = 0.016% HN ASN 57 - HA LYS+ 108 3.704% * 0.0158% (0.16 1.0 0.02 0.02) = 0.016% HN ASN 57 - HA GLU- 10 3.704% * 0.0153% (0.15 1.0 0.02 0.02) = 0.015% HN LYS+ 60 - HA ASP- 36 3.704% * 0.0082% (0.08 1.0 0.02 0.02) = 0.008% HN LYS+ 32 - HA ASP- 36 3.704% * 0.0080% (0.08 1.0 0.02 0.02) = 0.008% HN ASN 57 - HA ASP- 36 3.704% * 0.0074% (0.08 1.0 0.02 0.02) = 0.007% Peak 977 (7.51, 0.83, 15.64 ppm): 4 chemical-shift based assignments, quality = 0.602, support = 2.85, residual support = 7.61: * HE3 TRP 51 - QD1 ILE 29 25.000% * 48.7099% (0.63 2.92 7.56) = 48.710% kept HE3 TRP 51 - QG1 VAL 13 25.000% * 46.9591% (0.59 3.01 8.37) = 46.959% kept HN ASP- 82 - QD1 ILE 29 25.000% * 3.2804% (0.47 0.26 0.02) = 3.280% kept HN ASP- 82 - QG1 VAL 13 25.000% * 1.0507% (0.44 0.09 0.02) = 1.051% kept Peak 980 (4.35, 0.83, 15.60 ppm): 12 chemical-shift based assignments, quality = 0.263, support = 3.13, residual support = 7.08: HA TRP 51 - QG1 VAL 13 8.333% * 44.9900% (0.27 3.57 8.37) = 44.990% kept * HA TRP 51 - QD1 ILE 29 8.333% * 43.5500% (0.27 3.42 7.56) = 43.550% kept HA SER 27 - QD1 ILE 29 8.333% * 4.5703% (0.15 0.65 0.39) = 4.570% kept HB THR 61 - QD1 ILE 29 8.333% * 2.6730% (0.48 0.12 0.20) = 2.673% kept HA LYS+ 60 - QG1 VAL 13 8.333% * 1.5785% (0.24 0.14 0.02) = 1.578% kept HA2 GLY 26 - QD1 ILE 29 8.333% * 0.5553% (0.59 0.02 0.02) = 0.555% HA2 GLY 26 - QG1 VAL 13 8.333% * 0.5497% (0.59 0.02 0.02) = 0.550% HA SER 27 - QG1 VAL 13 8.333% * 0.5447% (0.15 0.08 0.02) = 0.545% HB THR 61 - QG1 VAL 13 8.333% * 0.4412% (0.47 0.02 0.02) = 0.441% HA LYS+ 60 - QD1 ILE 29 8.333% * 0.2283% (0.24 0.02 0.02) = 0.228% HA ALA 37 - QD1 ILE 29 8.333% * 0.1603% (0.17 0.02 0.02) = 0.160% HA ALA 37 - QG1 VAL 13 8.333% * 0.1587% (0.17 0.02 0.02) = 0.159% Peak 984 (4.22, 4.22, 56.96 ppm): 4 diagonal assignments: HA GLU- 12 - HA GLU- 12 (0.89) kept HA LYS+ 108 - HA LYS+ 108 (0.38) kept HA GLU- 10 - HA GLU- 10 (0.37) kept HA ASP- 82 - HA ASP- 82 (0.21) kept Reference assignment not found: HA LYS+ 117 - HA LYS+ 117 Peak 988 (3.28, 0.83, 15.62 ppm): 8 chemical-shift based assignments, quality = 0.929, support = 3.07, residual support = 6.63: * T HD2 PRO 52 - QD1 ILE 29 12.500% * 48.2781% (0.95 10.00 2.60 3.62) = 48.278% kept T HD2 PRO 52 - QG1 VAL 13 12.500% * 46.7927% (0.92 10.00 3.71 8.43) = 46.793% kept HD3 ARG+ 22 - QD1 ILE 29 12.500% * 4.4845% (0.97 1.00 1.81 20.80) = 4.485% kept HD3 ARG+ 22 - QG1 VAL 13 12.500% * 0.2587% (0.94 1.00 0.11 0.02) = 0.259% HE3 LYS+ 63 - QD1 ILE 29 12.500% * 0.0496% (0.97 1.00 0.02 0.02) = 0.050% HE3 LYS+ 63 - QG1 VAL 13 12.500% * 0.0481% (0.94 1.00 0.02 0.02) = 0.048% HD3 ARG+ 53 - QD1 ILE 29 12.500% * 0.0449% (0.88 1.00 0.02 0.02) = 0.045% HD3 ARG+ 53 - QG1 VAL 13 12.500% * 0.0435% (0.85 1.00 0.02 0.02) = 0.043% Peak 989 (3.08, 0.83, 15.62 ppm): 4 chemical-shift based assignments, quality = 0.389, support = 2.84, residual support = 7.89: HB3 TRP 51 - QG1 VAL 13 25.000% * 49.6082% (0.39 2.92 8.37) = 49.608% kept * HB3 TRP 51 - QD1 ILE 29 25.000% * 49.5073% (0.40 2.82 7.56) = 49.507% kept HA VAL 47 - QD1 ILE 29 25.000% * 0.4494% (0.51 0.02 0.02) = 0.449% HA VAL 47 - QG1 VAL 13 25.000% * 0.4351% (0.49 0.02 0.02) = 0.435% Peak 990 (2.64, 4.21, 57.06 ppm): 20 chemical-shift based assignments, quality = 0.84, support = 3.21, residual support = 34.0: * O HB3 ASP- 82 - HA ASP- 82 5.000% * 99.5242% (0.84 10.0 3.23 34.19) = 99.524% kept HB3 ASP- 36 - HA ASP- 82 5.000% * 0.0925% (0.78 1.0 0.02 0.02) = 0.092% HB3 ASP- 82 - HA GLU- 12 5.000% * 0.0738% (0.63 1.0 0.02 0.10) = 0.074% HB3 ASP- 36 - HA GLU- 12 5.000% * 0.0686% (0.58 1.0 0.02 0.02) = 0.069% HE2 LYS+ 120 - HA ASP- 82 5.000% * 0.0352% (0.30 1.0 0.02 0.02) = 0.035% HB2 ASP- 25 - HA ASP- 82 5.000% * 0.0318% (0.27 1.0 0.02 0.02) = 0.032% HE2 LYS+ 120 - HA GLU- 12 5.000% * 0.0261% (0.22 1.0 0.02 0.02) = 0.026% HB2 ASP- 25 - HA GLU- 12 5.000% * 0.0236% (0.20 1.0 0.02 0.02) = 0.024% HE3 LYS+ 20 - HA ASP- 82 5.000% * 0.0230% (0.19 1.0 0.02 0.02) = 0.023% HE3 LYS+ 20 - HA GLU- 12 5.000% * 0.0170% (0.14 1.0 0.02 0.02) = 0.017% HB3 ASP- 82 - HA LYS+ 108 5.000% * 0.0151% (0.13 1.0 0.02 0.02) = 0.015% HB3 ASP- 82 - HA GLU- 10 5.000% * 0.0146% (0.12 1.0 0.02 0.02) = 0.015% HB3 ASP- 36 - HA LYS+ 108 5.000% * 0.0140% (0.12 1.0 0.02 0.02) = 0.014% HB3 ASP- 36 - HA GLU- 10 5.000% * 0.0136% (0.12 1.0 0.02 0.02) = 0.014% HE2 LYS+ 120 - HA LYS+ 108 5.000% * 0.0053% (0.05 1.0 0.02 0.02) = 0.005% HE2 LYS+ 120 - HA GLU- 10 5.000% * 0.0052% (0.04 1.0 0.02 0.02) = 0.005% HB2 ASP- 25 - HA LYS+ 108 5.000% * 0.0048% (0.04 1.0 0.02 0.02) = 0.005% HB2 ASP- 25 - HA GLU- 10 5.000% * 0.0047% (0.04 1.0 0.02 0.02) = 0.005% HE3 LYS+ 20 - HA LYS+ 108 5.000% * 0.0035% (0.03 1.0 0.02 0.02) = 0.003% HE3 LYS+ 20 - HA GLU- 10 5.000% * 0.0034% (0.03 1.0 0.02 0.02) = 0.003% Peak 991 (2.28, 4.22, 56.75 ppm): 80 chemical-shift based assignments, quality = 0.264, support = 1.49, residual support = 7.07: T HG3 GLU- 107 - HA LYS+ 108 1.250% * 35.4667% (0.30 1.0 10.00 1.71 5.96) = 35.467% kept O T HG3 GLU- 107 - HA GLU- 107 1.250% * 17.8365% (0.13 10.0 10.00 2.19 6.21) = 17.837% kept * O T HG3 GLU- 75 - HA GLU- 75 1.250% * 9.6876% (0.07 10.0 10.00 2.62 24.21) = 9.688% kept T HG3 GLU- 75 - HA GLU- 107 1.250% * 5.8913% (0.28 1.0 10.00 0.30 0.02) = 5.891% kept T HG3 GLU- 75 - HA ASN 76 1.250% * 5.4984% (0.09 1.0 10.00 0.94 0.02) = 5.498% kept T HG3 GLU- 75 - HA LYS+ 108 1.250% * 4.3223% (0.65 1.0 10.00 0.10 0.02) = 4.322% kept T HG3 GLU- 75 - HA GLU- 12 1.250% * 3.7526% (0.59 1.0 10.00 0.09 0.02) = 3.753% kept HG2 PRO 112 - HA GLU- 12 1.250% * 2.7670% (0.63 1.0 1.00 0.63 0.22) = 2.767% kept O T HG2 GLU- 64 - HA GLU- 64 1.250% * 2.6213% (0.02 10.0 10.00 4.74 57.10) = 2.621% kept HB3 LYS+ 117 - HA GLU- 12 1.250% * 1.7684% (0.59 1.0 1.00 0.43 0.02) = 1.768% kept HB2 LYS+ 44 - HA LYS+ 108 1.250% * 1.7234% (0.63 1.0 1.00 0.39 0.02) = 1.723% kept HB2 LYS+ 44 - HA GLU- 10 1.250% * 1.3929% (0.64 1.0 1.00 0.32 0.02) = 1.393% kept HG2 PRO 112 - HA GLU- 10 1.250% * 1.1619% (0.71 1.0 1.00 0.24 0.02) = 1.162% kept T HG3 GLU- 75 - HA GLU- 10 1.250% * 0.9111% (0.66 1.0 10.00 0.02 0.02) = 0.911% T HG3 GLU- 54 - HA GLU- 10 1.250% * 0.4945% (0.36 1.0 10.00 0.02 0.02) = 0.494% T HG3 GLU- 54 - HA LYS+ 108 1.250% * 0.4900% (0.35 1.0 10.00 0.02 0.02) = 0.490% T HG3 GLU- 54 - HA GLU- 12 1.250% * 0.4425% (0.32 1.0 10.00 0.02 0.02) = 0.442% T HG3 GLU- 107 - HA GLU- 10 1.250% * 0.4176% (0.30 1.0 10.00 0.02 0.02) = 0.418% T HG3 GLU- 107 - HA GLU- 12 1.250% * 0.3737% (0.27 1.0 10.00 0.02 0.02) = 0.374% HG2 PRO 112 - HA GLU- 64 1.250% * 0.2430% (0.08 1.0 1.00 0.43 0.02) = 0.243% T HG3 GLU- 54 - HA GLU- 107 1.250% * 0.2112% (0.15 1.0 10.00 0.02 0.02) = 0.211% T HG3 GLU- 75 - HA ASN 119 1.250% * 0.1575% (0.11 1.0 10.00 0.02 0.02) = 0.157% HG2 PRO 112 - HA ASN 76 1.250% * 0.1181% (0.09 1.0 1.00 0.19 0.02) = 0.118% T HG3 GLU- 75 - HA GLU- 64 1.250% * 0.1056% (0.08 1.0 10.00 0.02 0.02) = 0.106% HB3 PRO 112 - HA GLU- 10 1.250% * 0.0997% (0.72 1.0 1.00 0.02 0.02) = 0.100% HB3 PRO 112 - HA LYS+ 108 1.250% * 0.0988% (0.71 1.0 1.00 0.02 0.02) = 0.099% HG2 PRO 112 - HA LYS+ 108 1.250% * 0.0968% (0.70 1.0 1.00 0.02 0.02) = 0.097% T HG2 GLU- 64 - HA GLU- 107 1.250% * 0.0966% (0.07 1.0 10.00 0.02 0.02) = 0.097% HB3 LYS+ 117 - HA GLU- 10 1.250% * 0.0911% (0.66 1.0 1.00 0.02 0.02) = 0.091% HB3 LYS+ 117 - HA LYS+ 108 1.250% * 0.0903% (0.65 1.0 1.00 0.02 0.02) = 0.090% HB3 PRO 112 - HA GLU- 12 1.250% * 0.0892% (0.65 1.0 1.00 0.02 0.22) = 0.089% T HG3 GLU- 54 - HA ASN 119 1.250% * 0.0855% (0.06 1.0 10.00 0.02 0.02) = 0.085% HB VAL 80 - HA GLU- 10 1.250% * 0.0849% (0.61 1.0 1.00 0.02 0.02) = 0.085% HB VAL 80 - HA LYS+ 108 1.250% * 0.0841% (0.61 1.0 1.00 0.02 0.02) = 0.084% HB2 LYS+ 44 - HA GLU- 12 1.250% * 0.0789% (0.57 1.0 1.00 0.02 0.02) = 0.079% HB VAL 80 - HA GLU- 12 1.250% * 0.0759% (0.55 1.0 1.00 0.02 0.02) = 0.076% T HG3 GLU- 107 - HA ASN 119 1.250% * 0.0722% (0.05 1.0 10.00 0.02 0.02) = 0.072% T HG3 GLU- 54 - HA ASN 76 1.250% * 0.0638% (0.05 1.0 10.00 0.02 0.02) = 0.064% T HG3 GLU- 54 - HA GLU- 64 1.250% * 0.0573% (0.04 1.0 10.00 0.02 0.02) = 0.057% T HG3 GLU- 107 - HA ASN 76 1.250% * 0.0539% (0.04 1.0 10.00 0.02 0.02) = 0.054% T HG3 GLU- 54 - HA GLU- 75 1.250% * 0.0526% (0.04 1.0 10.00 0.02 0.02) = 0.053% T HG3 GLU- 107 - HA GLU- 64 1.250% * 0.0484% (0.04 1.0 10.00 0.02 0.02) = 0.048% T HG3 GLU- 107 - HA GLU- 75 1.250% * 0.0444% (0.03 1.0 10.00 0.02 0.02) = 0.044% HB3 PRO 112 - HA GLU- 107 1.250% * 0.0426% (0.31 1.0 1.00 0.02 0.02) = 0.043% HG2 PRO 112 - HA GLU- 107 1.250% * 0.0417% (0.30 1.0 1.00 0.02 0.02) = 0.042% T HG2 GLU- 64 - HA ASN 119 1.250% * 0.0391% (0.03 1.0 10.00 0.02 0.02) = 0.039% HB3 LYS+ 117 - HA GLU- 107 1.250% * 0.0389% (0.28 1.0 1.00 0.02 0.02) = 0.039% HB2 LYS+ 44 - HA GLU- 107 1.250% * 0.0376% (0.27 1.0 1.00 0.02 0.02) = 0.038% HB VAL 80 - HA GLU- 107 1.250% * 0.0362% (0.26 1.0 1.00 0.02 0.02) = 0.036% T HG2 GLU- 64 - HA ASN 76 1.250% * 0.0292% (0.02 1.0 10.00 0.02 0.02) = 0.029% HB3 PRO 116 - HA GLU- 10 1.250% * 0.0282% (0.20 1.0 1.00 0.02 0.02) = 0.028% HB3 PRO 116 - HA LYS+ 108 1.250% * 0.0280% (0.20 1.0 1.00 0.02 0.02) = 0.028% HB3 PRO 116 - HA GLU- 12 1.250% * 0.0253% (0.18 1.0 1.00 0.02 0.02) = 0.025% T HG2 GLU- 64 - HA GLU- 75 1.250% * 0.0240% (0.02 1.0 10.00 0.02 0.02) = 0.024% HG2 GLU- 64 - HA GLU- 10 1.250% * 0.0226% (0.16 1.0 1.00 0.02 0.02) = 0.023% HG2 GLU- 64 - HA LYS+ 108 1.250% * 0.0224% (0.16 1.0 1.00 0.02 0.02) = 0.022% HG2 GLU- 64 - HA GLU- 12 1.250% * 0.0202% (0.15 1.0 1.00 0.02 0.02) = 0.020% HB3 PRO 112 - HA ASN 119 1.250% * 0.0172% (0.12 1.0 1.00 0.02 0.02) = 0.017% HG2 PRO 112 - HA ASN 119 1.250% * 0.0169% (0.12 1.0 1.00 0.02 0.02) = 0.017% HB3 LYS+ 117 - HA ASN 119 1.250% * 0.0157% (0.11 1.0 1.00 0.02 0.02) = 0.016% HB2 LYS+ 44 - HA ASN 119 1.250% * 0.0152% (0.11 1.0 1.00 0.02 0.02) = 0.015% HB VAL 80 - HA ASN 119 1.250% * 0.0147% (0.11 1.0 1.00 0.02 0.02) = 0.015% HB3 PRO 112 - HA ASN 76 1.250% * 0.0129% (0.09 1.0 1.00 0.02 0.02) = 0.013% HB3 PRO 116 - HA GLU- 107 1.250% * 0.0121% (0.09 1.0 1.00 0.02 0.02) = 0.012% HB3 LYS+ 117 - HA ASN 76 1.250% * 0.0118% (0.09 1.0 1.00 0.02 0.02) = 0.012% HB3 PRO 112 - HA GLU- 64 1.250% * 0.0116% (0.08 1.0 1.00 0.02 0.02) = 0.012% HB2 LYS+ 44 - HA ASN 76 1.250% * 0.0114% (0.08 1.0 1.00 0.02 0.02) = 0.011% HB VAL 80 - HA ASN 76 1.250% * 0.0110% (0.08 1.0 1.00 0.02 0.02) = 0.011% HB3 PRO 112 - HA GLU- 75 1.250% * 0.0106% (0.08 1.0 1.00 0.02 0.30) = 0.011% HB3 LYS+ 117 - HA GLU- 64 1.250% * 0.0106% (0.08 1.0 1.00 0.02 0.02) = 0.011% HG2 PRO 112 - HA GLU- 75 1.250% * 0.0104% (0.08 1.0 1.00 0.02 0.30) = 0.010% HB2 LYS+ 44 - HA GLU- 64 1.250% * 0.0102% (0.07 1.0 1.00 0.02 0.02) = 0.010% HB VAL 80 - HA GLU- 64 1.250% * 0.0098% (0.07 1.0 1.00 0.02 0.02) = 0.010% HB3 LYS+ 117 - HA GLU- 75 1.250% * 0.0097% (0.07 1.0 1.00 0.02 0.02) = 0.010% HB2 LYS+ 44 - HA GLU- 75 1.250% * 0.0094% (0.07 1.0 1.00 0.02 3.27) = 0.009% HB VAL 80 - HA GLU- 75 1.250% * 0.0090% (0.07 1.0 1.00 0.02 0.02) = 0.009% HB3 PRO 116 - HA ASN 119 1.250% * 0.0049% (0.04 1.0 1.00 0.02 0.02) = 0.005% HB3 PRO 116 - HA ASN 76 1.250% * 0.0036% (0.03 1.0 1.00 0.02 0.02) = 0.004% HB3 PRO 116 - HA GLU- 64 1.250% * 0.0033% (0.02 1.0 1.00 0.02 0.02) = 0.003% HB3 PRO 116 - HA GLU- 75 1.250% * 0.0030% (0.02 1.0 1.00 0.02 0.02) = 0.003% Peak 992 (2.21, 4.22, 56.98 ppm): 70 chemical-shift based assignments, quality = 0.353, support = 1.15, residual support = 1.76: T HG3 GLU- 109 - HA LYS+ 108 1.429% * 36.0024% (0.20 10.00 2.44 4.63) = 36.002% kept T HB2 GLU- 50 - HA GLU- 12 1.429% * 23.4100% (0.77 10.00 0.34 0.02) = 23.410% kept T HG3 GLU- 109 - HA GLU- 12 1.429% * 7.0488% (0.47 10.00 0.17 0.02) = 7.049% kept T HB3 GLU- 45 - HA LYS+ 108 1.429% * 6.0873% (0.06 10.00 1.07 0.60) = 6.087% kept T HB3 GLU- 75 - HA GLU- 12 1.429% * 5.6934% (0.13 10.00 0.47 0.02) = 5.693% kept HG2 PRO 112 - HA GLU- 12 1.429% * 5.4755% (0.96 1.00 0.63 0.22) = 5.475% kept T HB3 GLU- 45 - HA GLU- 10 1.429% * 4.0774% (0.06 10.00 0.73 0.85) = 4.077% kept T HG3 GLU- 109 - HA GLU- 107 1.429% * 3.3338% (0.05 10.00 0.68 0.02) = 3.334% kept T HB3 GLU- 75 - HA GLU- 10 1.429% * 1.2498% (0.06 10.00 0.25 0.02) = 1.250% kept HG2 PRO 112 - HA GLU- 10 1.429% * 0.8617% (0.40 1.00 0.24 0.02) = 0.862% T HB3 GLU- 75 - HA ASP- 82 1.429% * 0.7603% (0.08 10.00 0.10 0.02) = 0.760% HG2 PRO 112 - HA ASP- 82 1.429% * 0.6353% (0.58 1.00 0.12 0.02) = 0.635% T HB2 GLU- 50 - HA LYS+ 108 1.429% * 0.5923% (0.33 10.00 0.02 0.02) = 0.592% T HB2 GLU- 50 - HA GLU- 10 1.429% * 0.5809% (0.32 10.00 0.02 0.02) = 0.581% T HG3 GLU- 109 - HA ASP- 82 1.429% * 0.5157% (0.29 10.00 0.02 0.02) = 0.516% T HG3 GLU- 109 - HA GLU- 10 1.429% * 0.3531% (0.20 10.00 0.02 0.02) = 0.353% T HB3 GLU- 45 - HA GLU- 12 1.429% * 0.2673% (0.15 10.00 0.02 0.02) = 0.267% HG3 MET 126 - HA GLU- 12 1.429% * 0.1672% (0.92 1.00 0.02 0.02) = 0.167% T HB2 GLU- 50 - HA GLU- 107 1.429% * 0.1617% (0.09 10.00 0.02 0.02) = 0.162% HA1 GLY 58 - HA GLU- 12 1.429% * 0.1554% (0.86 1.00 0.02 0.02) = 0.155% HG3 MET 97 - HA GLU- 12 1.429% * 0.1554% (0.86 1.00 0.02 0.02) = 0.155% HG3 GLU- 18 - HA GLU- 12 1.429% * 0.1258% (0.70 1.00 0.02 0.02) = 0.126% HG2 MET 126 - HA GLU- 12 1.429% * 0.1190% (0.66 1.00 0.02 0.02) = 0.119% HG3 GLN 102 - HA GLU- 12 1.429% * 0.1051% (0.58 1.00 0.02 0.02) = 0.105% T HB3 GLU- 75 - HA LYS+ 108 1.429% * 0.1036% (0.06 10.00 0.02 0.02) = 0.104% HG3 MET 126 - HA ASP- 82 1.429% * 0.1022% (0.57 1.00 0.02 0.02) = 0.102% HG3 MET 97 - HA ASP- 82 1.429% * 0.0950% (0.53 1.00 0.02 0.02) = 0.095% HA1 GLY 58 - HA ASP- 82 1.429% * 0.0950% (0.53 1.00 0.02 0.02) = 0.095% HB2 GLU- 50 - HA ASP- 82 1.429% * 0.0848% (0.47 1.00 0.02 0.02) = 0.085% HB2 PRO 52 - HA GLU- 12 1.429% * 0.0843% (0.47 1.00 0.02 0.02) = 0.084% HG3 GLU- 18 - HA ASP- 82 1.429% * 0.0769% (0.43 1.00 0.02 0.02) = 0.077% HG2 PRO 112 - HA LYS+ 108 1.429% * 0.0738% (0.41 1.00 0.02 0.02) = 0.074% HG2 MET 126 - HA ASP- 82 1.429% * 0.0728% (0.40 1.00 0.02 0.02) = 0.073% HG3 MET 126 - HA LYS+ 108 1.429% * 0.0714% (0.39 1.00 0.02 0.02) = 0.071% HG3 MET 126 - HA GLU- 10 1.429% * 0.0700% (0.39 1.00 0.02 0.02) = 0.070% HG3 MET 97 - HA LYS+ 108 1.429% * 0.0663% (0.37 1.00 0.02 0.02) = 0.066% HA1 GLY 58 - HA LYS+ 108 1.429% * 0.0663% (0.37 1.00 0.02 0.02) = 0.066% HG3 MET 97 - HA GLU- 10 1.429% * 0.0651% (0.36 1.00 0.02 0.02) = 0.065% HA1 GLY 58 - HA GLU- 10 1.429% * 0.0651% (0.36 1.00 0.02 0.02) = 0.065% HG3 GLN 102 - HA ASP- 82 1.429% * 0.0643% (0.36 1.00 0.02 0.02) = 0.064% HG3 GLU- 18 - HA LYS+ 108 1.429% * 0.0537% (0.30 1.00 0.02 0.02) = 0.054% HG3 GLU- 18 - HA GLU- 10 1.429% * 0.0527% (0.29 1.00 0.02 0.02) = 0.053% HB2 PRO 52 - HA ASP- 82 1.429% * 0.0516% (0.29 1.00 0.02 0.02) = 0.052% HG2 MET 126 - HA LYS+ 108 1.429% * 0.0508% (0.28 1.00 0.02 0.02) = 0.051% HG2 MET 126 - HA GLU- 10 1.429% * 0.0498% (0.28 1.00 0.02 0.02) = 0.050% HG3 GLN 102 - HA LYS+ 108 1.429% * 0.0449% (0.25 1.00 0.02 0.02) = 0.045% HG3 GLN 102 - HA GLU- 10 1.429% * 0.0440% (0.24 1.00 0.02 0.02) = 0.044% HB VAL 99 - HA GLU- 12 1.429% * 0.0386% (0.21 1.00 0.02 0.02) = 0.039% HB2 PRO 52 - HA LYS+ 108 1.429% * 0.0360% (0.20 1.00 0.02 0.02) = 0.036% HB2 PRO 52 - HA GLU- 10 1.429% * 0.0353% (0.20 1.00 0.02 0.02) = 0.035% HB3 PRO 104 - HA GLU- 12 1.429% * 0.0343% (0.19 1.00 0.02 0.02) = 0.034% T HB3 GLU- 45 - HA GLU- 107 1.429% * 0.0312% (0.02 10.00 0.02 0.02) = 0.031% T HB3 GLU- 75 - HA GLU- 107 1.429% * 0.0283% (0.02 10.00 0.02 0.02) = 0.028% HB VAL 99 - HA ASP- 82 1.429% * 0.0236% (0.13 1.00 0.02 0.02) = 0.024% HB3 PRO 104 - HA ASP- 82 1.429% * 0.0210% (0.12 1.00 0.02 0.02) = 0.021% HG2 PRO 112 - HA GLU- 107 1.429% * 0.0202% (0.11 1.00 0.02 0.02) = 0.020% HG3 MET 126 - HA GLU- 107 1.429% * 0.0195% (0.11 1.00 0.02 0.02) = 0.019% HG3 MET 97 - HA GLU- 107 1.429% * 0.0181% (0.10 1.00 0.02 0.02) = 0.018% HA1 GLY 58 - HA GLU- 107 1.429% * 0.0181% (0.10 1.00 0.02 0.02) = 0.018% HB VAL 99 - HA LYS+ 108 1.429% * 0.0165% (0.09 1.00 0.02 0.02) = 0.016% HB3 GLU- 45 - HA ASP- 82 1.429% * 0.0163% (0.09 1.00 0.02 0.02) = 0.016% HB VAL 99 - HA GLU- 10 1.429% * 0.0162% (0.09 1.00 0.02 0.02) = 0.016% HG3 GLU- 18 - HA GLU- 107 1.429% * 0.0147% (0.08 1.00 0.02 0.02) = 0.015% HB3 PRO 104 - HA LYS+ 108 1.429% * 0.0146% (0.08 1.00 0.02 0.02) = 0.015% HB3 PRO 104 - HA GLU- 10 1.429% * 0.0144% (0.08 1.00 0.02 0.02) = 0.014% HG2 MET 126 - HA GLU- 107 1.429% * 0.0139% (0.08 1.00 0.02 0.02) = 0.014% HG3 GLN 102 - HA GLU- 107 1.429% * 0.0122% (0.07 1.00 0.02 0.02) = 0.012% HB2 PRO 52 - HA GLU- 107 1.429% * 0.0098% (0.05 1.00 0.02 0.02) = 0.010% HB VAL 99 - HA GLU- 107 1.429% * 0.0045% (0.02 1.00 0.02 0.02) = 0.004% HB3 PRO 104 - HA GLU- 107 1.429% * 0.0040% (0.02 1.00 0.02 0.02) = 0.004% Peak 994 (1.91, 0.83, 15.60 ppm): 26 chemical-shift based assignments, quality = 0.769, support = 2.97, residual support = 50.8: * O HB ILE 29 - QD1 ILE 29 3.846% * 81.5306% (0.79 10.0 1.00 3.51 61.33) = 81.531% kept HB2 LEU 23 - QD1 ILE 29 3.846% * 5.0432% (0.93 1.0 1.00 1.05 14.54) = 5.043% kept HB ILE 29 - QG1 VAL 13 3.846% * 2.9120% (0.78 1.0 1.00 0.72 0.02) = 2.912% kept HB2 LEU 23 - QG1 VAL 13 3.846% * 2.8448% (0.92 1.0 1.00 0.60 0.02) = 2.845% kept HB3 ARG+ 53 - QG1 VAL 13 3.846% * 1.7764% (0.63 1.0 1.00 0.54 0.02) = 1.776% kept T HG2 GLU- 18 - QG1 VAL 13 3.846% * 1.3590% (0.27 1.0 10.00 0.10 0.02) = 1.359% kept HB2 PRO 112 - QD1 ILE 29 3.846% * 1.3236% (0.88 1.0 1.00 0.29 0.85) = 1.324% kept HG2 PRO 112 - QD1 ILE 29 3.846% * 1.0238% (0.30 1.0 1.00 0.66 0.85) = 1.024% kept HB2 PRO 112 - QG1 VAL 13 3.846% * 0.4448% (0.87 1.0 1.00 0.10 0.02) = 0.445% T HG2 GLU- 18 - QD1 ILE 29 3.846% * 0.2831% (0.27 1.0 10.00 0.02 0.02) = 0.283% HG2 PRO 112 - QG1 VAL 13 3.846% * 0.2727% (0.30 1.0 1.00 0.18 0.02) = 0.273% T HB2 GLU- 75 - QD1 ILE 29 3.846% * 0.2015% (0.19 1.0 10.00 0.02 0.02) = 0.201% T HB2 GLU- 75 - QG1 VAL 13 3.846% * 0.1995% (0.19 1.0 10.00 0.02 0.56) = 0.199% HD3 LYS+ 63 - QD1 ILE 29 3.846% * 0.1009% (0.98 1.0 1.00 0.02 0.02) = 0.101% HD3 LYS+ 63 - QG1 VAL 13 3.846% * 0.0999% (0.97 1.0 1.00 0.02 0.02) = 0.100% HB3 GLN 102 - QD1 ILE 29 3.846% * 0.0913% (0.88 1.0 1.00 0.02 0.02) = 0.091% HB3 GLN 102 - QG1 VAL 13 3.846% * 0.0904% (0.87 1.0 1.00 0.02 0.02) = 0.090% HB3 ARG+ 53 - QD1 ILE 29 3.846% * 0.0659% (0.64 1.0 1.00 0.02 0.02) = 0.066% HB3 CYS 123 - QD1 ILE 29 3.846% * 0.0496% (0.48 1.0 1.00 0.02 0.02) = 0.050% HB3 CYS 123 - QG1 VAL 13 3.846% * 0.0491% (0.47 1.0 1.00 0.02 0.02) = 0.049% HB2 PRO 116 - QD1 ILE 29 3.846% * 0.0456% (0.44 1.0 1.00 0.02 0.02) = 0.046% HB2 GLU- 10 - QD1 ILE 29 3.846% * 0.0456% (0.44 1.0 1.00 0.02 0.02) = 0.046% HB2 PRO 116 - QG1 VAL 13 3.846% * 0.0452% (0.44 1.0 1.00 0.02 0.02) = 0.045% HB2 GLU- 10 - QG1 VAL 13 3.846% * 0.0452% (0.44 1.0 1.00 0.02 0.02) = 0.045% HB3 GLN 16 - QD1 ILE 29 3.846% * 0.0283% (0.27 1.0 1.00 0.02 0.02) = 0.028% HB3 GLN 16 - QG1 VAL 13 3.846% * 0.0280% (0.27 1.0 1.00 0.02 0.02) = 0.028% Peak 996 (1.56, 0.83, 15.61 ppm): 20 chemical-shift based assignments, quality = 0.874, support = 2.41, residual support = 45.4: * O HG12 ILE 29 - QD1 ILE 29 5.000% * 34.8105% (0.95 10.0 1.00 3.14 61.33) = 34.810% kept T HG LEU 17 - QD1 ILE 29 5.000% * 32.3491% (0.88 1.0 10.00 2.02 17.13) = 32.349% kept O HG13 ILE 29 - QD1 ILE 29 5.000% * 30.1286% (0.82 10.0 1.00 2.22 61.33) = 30.129% kept T HG LEU 17 - QG1 VAL 13 5.000% * 1.6702% (0.86 1.0 10.00 0.11 0.02) = 1.670% kept HB3 LEU 90 - QD1 ILE 29 5.000% * 0.6094% (0.90 1.0 1.00 0.37 0.02) = 0.609% HD3 LYS+ 81 - QD1 ILE 29 5.000% * 0.0354% (0.96 1.0 1.00 0.02 0.02) = 0.035% QB ALA 42 - QD1 ILE 29 5.000% * 0.0348% (0.95 1.0 1.00 0.02 0.02) = 0.035% HD3 LYS+ 81 - QG1 VAL 13 5.000% * 0.0346% (0.94 1.0 1.00 0.02 0.02) = 0.035% HD3 LYS+ 60 - QD1 ILE 29 5.000% * 0.0341% (0.93 1.0 1.00 0.02 0.02) = 0.034% QB ALA 42 - QG1 VAL 13 5.000% * 0.0341% (0.93 1.0 1.00 0.02 0.02) = 0.034% HG12 ILE 29 - QG1 VAL 13 5.000% * 0.0341% (0.93 1.0 1.00 0.02 0.02) = 0.034% HD3 LYS+ 60 - QG1 VAL 13 5.000% * 0.0334% (0.91 1.0 1.00 0.02 0.02) = 0.033% HB3 LEU 90 - QG1 VAL 13 5.000% * 0.0326% (0.89 1.0 1.00 0.02 0.02) = 0.033% HB ILE 19 - QD1 ILE 29 5.000% * 0.0313% (0.85 1.0 1.00 0.02 0.02) = 0.031% HB ILE 19 - QG1 VAL 13 5.000% * 0.0306% (0.83 1.0 1.00 0.02 0.02) = 0.031% HG13 ILE 29 - QG1 VAL 13 5.000% * 0.0295% (0.80 1.0 1.00 0.02 0.02) = 0.029% QG2 THR 24 - QD1 ILE 29 5.000% * 0.0262% (0.71 1.0 1.00 0.02 0.62) = 0.026% QG2 THR 24 - QG1 VAL 13 5.000% * 0.0256% (0.70 1.0 1.00 0.02 0.02) = 0.026% HB3 LYS+ 32 - QD1 ILE 29 5.000% * 0.0080% (0.22 1.0 1.00 0.02 0.02) = 0.008% HB3 LYS+ 32 - QG1 VAL 13 5.000% * 0.0079% (0.21 1.0 1.00 0.02 0.02) = 0.008% Peak 999 (0.83, 0.83, 15.61 ppm): 2 diagonal assignments: * QD1 ILE 29 - QD1 ILE 29 (0.97) kept QG1 VAL 13 - QG1 VAL 13 (0.94) kept Peak 1002 (0.29, 0.83, 15.60 ppm): 4 chemical-shift based assignments, quality = 0.979, support = 0.838, residual support = 7.8: * T QD2 LEU 23 - QD1 ILE 29 25.000% * 53.0028% (0.98 10.00 1.25 14.54) = 53.003% kept T QG1 VAL 122 - QD1 ILE 29 25.000% * 18.3929% (0.99 10.00 0.42 0.45) = 18.393% kept T QG1 VAL 122 - QG1 VAL 13 25.000% * 16.9412% (0.98 10.00 0.39 0.02) = 16.941% kept T QD2 LEU 23 - QG1 VAL 13 25.000% * 11.6631% (0.97 10.00 0.28 0.02) = 11.663% kept Peak 1005 (8.34, 4.26, 56.70 ppm): 77 chemical-shift based assignments, quality = 0.377, support = 2.0, residual support = 6.34: * O HN GLU- 109 - HA LYS+ 108 1.299% * 34.8297% (0.45 10.0 2.04 4.63) = 34.830% kept O HN LYS+ 108 - HA GLU- 107 1.299% * 30.3089% (0.45 10.0 1.72 5.96) = 30.309% kept O HN LYS+ 108 - HA LYS+ 108 1.299% * 21.1253% (0.27 10.0 3.08 13.55) = 21.125% kept O HN ASN 76 - HA ASN 76 1.299% * 5.8562% (0.15 10.0 1.00 0.90) = 5.856% kept O HN ASN 76 - HA GLU- 75 1.299% * 4.6485% (0.12 10.0 1.00 0.02) = 4.649% kept HN GLU- 109 - HA GLU- 107 1.299% * 1.8412% (0.74 1.0 0.63 0.02) = 1.841% kept HN GLU- 50 - HA GLU- 107 1.299% * 0.0618% (0.79 1.0 0.02 0.02) = 0.062% HN ALA 103 - HA GLU- 107 1.299% * 0.0536% (0.69 1.0 0.02 0.02) = 0.054% HN GLU- 50 - HA ARG+ 84 1.299% * 0.0499% (0.64 1.0 0.02 0.02) = 0.050% HN GLU- 109 - HA ARG+ 84 1.299% * 0.0469% (0.60 1.0 0.02 0.02) = 0.047% HN ALA 103 - HA ARG+ 84 1.299% * 0.0433% (0.55 1.0 0.02 0.02) = 0.043% HN GLU- 50 - HA ASN 119 1.299% * 0.0392% (0.50 1.0 0.02 0.02) = 0.039% HN GLU- 50 - HA GLU- 10 1.299% * 0.0377% (0.48 1.0 0.02 0.02) = 0.038% HN GLU- 50 - HA LYS+ 108 1.299% * 0.0371% (0.47 1.0 0.02 0.02) = 0.037% HN GLU- 109 - HA ASN 119 1.299% * 0.0368% (0.47 1.0 0.02 0.02) = 0.037% HN GLU- 109 - HA GLU- 10 1.299% * 0.0354% (0.45 1.0 0.02 0.02) = 0.035% HN ALA 103 - HA ASN 119 1.299% * 0.0340% (0.43 1.0 0.02 0.02) = 0.034% HN ALA 103 - HA GLU- 10 1.299% * 0.0327% (0.42 1.0 0.02 0.02) = 0.033% HN GLY 114 - HA GLU- 107 1.299% * 0.0326% (0.42 1.0 0.02 0.02) = 0.033% HN ALA 103 - HA LYS+ 108 1.299% * 0.0322% (0.41 1.0 0.02 0.02) = 0.032% HN GLU- 50 - HA ASN 76 1.299% * 0.0288% (0.37 1.0 0.02 0.02) = 0.029% HN LYS+ 108 - HA ARG+ 84 1.299% * 0.0285% (0.36 1.0 0.02 0.02) = 0.028% HN GLU- 50 - HA GLU- 64 1.299% * 0.0283% (0.36 1.0 0.02 0.02) = 0.028% HN GLU- 109 - HA ASN 76 1.299% * 0.0271% (0.35 1.0 0.02 0.02) = 0.027% HN GLU- 109 - HA GLU- 64 1.299% * 0.0266% (0.34 1.0 0.02 0.02) = 0.027% HN GLY 114 - HA ARG+ 84 1.299% * 0.0263% (0.34 1.0 0.02 0.02) = 0.026% HN ASN 76 - HA GLU- 107 1.299% * 0.0251% (0.32 1.0 0.02 0.02) = 0.025% HN ALA 103 - HA ASN 76 1.299% * 0.0250% (0.32 1.0 0.02 0.02) = 0.025% HN ALA 103 - HA GLU- 64 1.299% * 0.0245% (0.31 1.0 0.02 0.02) = 0.025% HN GLU- 50 - HA GLU- 75 1.299% * 0.0229% (0.29 1.0 0.02 0.72) = 0.023% HN LYS+ 108 - HA ASN 119 1.299% * 0.0223% (0.29 1.0 0.02 0.02) = 0.022% HN GLU- 109 - HA GLU- 75 1.299% * 0.0215% (0.27 1.0 0.02 0.02) = 0.021% HN LYS+ 108 - HA GLU- 10 1.299% * 0.0215% (0.27 1.0 0.02 0.02) = 0.021% HN GLY 114 - HA ASN 119 1.299% * 0.0206% (0.26 1.0 0.02 0.02) = 0.021% HN ASN 76 - HA ARG+ 84 1.299% * 0.0203% (0.26 1.0 0.02 0.02) = 0.020% HN GLY 114 - HA GLU- 10 1.299% * 0.0199% (0.25 1.0 0.02 0.02) = 0.020% HN ALA 103 - HA GLU- 75 1.299% * 0.0198% (0.25 1.0 0.02 0.02) = 0.020% HN GLY 114 - HA LYS+ 108 1.299% * 0.0195% (0.25 1.0 0.02 0.02) = 0.020% HN GLU- 50 - HA SER 85 1.299% * 0.0188% (0.24 1.0 0.02 0.02) = 0.019% HN GLU- 109 - HA SER 85 1.299% * 0.0177% (0.23 1.0 0.02 0.02) = 0.018% HN GLY 71 - HA GLU- 107 1.299% * 0.0167% (0.21 1.0 0.02 0.02) = 0.017% HN LYS+ 108 - HA ASN 76 1.299% * 0.0164% (0.21 1.0 0.02 0.02) = 0.016% HN ALA 103 - HA SER 85 1.299% * 0.0163% (0.21 1.0 0.02 0.02) = 0.016% HN LYS+ 108 - HA GLU- 64 1.299% * 0.0161% (0.21 1.0 0.02 0.02) = 0.016% HN ASN 76 - HA ASN 119 1.299% * 0.0159% (0.20 1.0 0.02 0.02) = 0.016% HN ASN 76 - HA GLU- 10 1.299% * 0.0153% (0.20 1.0 0.02 0.02) = 0.015% HN GLY 114 - HA ASN 76 1.299% * 0.0152% (0.19 1.0 0.02 0.02) = 0.015% HN ASN 76 - HA LYS+ 108 1.299% * 0.0151% (0.19 1.0 0.02 0.02) = 0.015% HN GLY 114 - HA GLU- 64 1.299% * 0.0149% (0.19 1.0 0.02 0.02) = 0.015% HN GLY 71 - HA ARG+ 84 1.299% * 0.0135% (0.17 1.0 0.02 0.02) = 0.013% HN LYS+ 108 - HA GLU- 75 1.299% * 0.0130% (0.17 1.0 0.02 0.02) = 0.013% HN GLY 114 - HA GLU- 75 1.299% * 0.0121% (0.15 1.0 0.02 0.02) = 0.012% HN ASN 76 - HA GLU- 64 1.299% * 0.0115% (0.15 1.0 0.02 0.02) = 0.011% HN LYS+ 108 - HA SER 85 1.299% * 0.0107% (0.14 1.0 0.02 0.02) = 0.011% HN GLY 71 - HA ASN 119 1.299% * 0.0106% (0.14 1.0 0.02 0.02) = 0.011% HN GLU- 50 - HA GLU- 56 1.299% * 0.0106% (0.14 1.0 0.02 0.47) = 0.011% HN GLY 71 - HA GLU- 10 1.299% * 0.0102% (0.13 1.0 0.02 0.02) = 0.010% HN GLY 71 - HA LYS+ 108 1.299% * 0.0100% (0.13 1.0 0.02 0.02) = 0.010% HN GLY 114 - HA SER 85 1.299% * 0.0099% (0.13 1.0 0.02 0.02) = 0.010% HN GLU- 109 - HA GLU- 56 1.299% * 0.0099% (0.13 1.0 0.02 0.02) = 0.010% HN ALA 103 - HA GLU- 56 1.299% * 0.0092% (0.12 1.0 0.02 0.02) = 0.009% HN GLY 71 - HA ASN 76 1.299% * 0.0078% (0.10 1.0 0.02 0.02) = 0.008% HN ASN 76 - HA SER 85 1.299% * 0.0077% (0.10 1.0 0.02 0.02) = 0.008% HN GLY 71 - HA GLU- 64 1.299% * 0.0076% (0.10 1.0 0.02 0.02) = 0.008% HN GLY 71 - HA GLU- 75 1.299% * 0.0062% (0.08 1.0 0.02 0.02) = 0.006% HN LYS+ 108 - HA GLU- 56 1.299% * 0.0060% (0.08 1.0 0.02 0.02) = 0.006% HN GLU- 50 - HA GLU- 12 1.299% * 0.0056% (0.07 1.0 0.02 0.02) = 0.006% HN GLY 114 - HA GLU- 56 1.299% * 0.0056% (0.07 1.0 0.02 0.02) = 0.006% HN GLU- 109 - HA GLU- 12 1.299% * 0.0053% (0.07 1.0 0.02 0.02) = 0.005% HN GLY 71 - HA SER 85 1.299% * 0.0051% (0.07 1.0 0.02 0.02) = 0.005% HN ALA 103 - HA GLU- 12 1.299% * 0.0049% (0.06 1.0 0.02 0.02) = 0.005% HN ASN 76 - HA GLU- 56 1.299% * 0.0043% (0.05 1.0 0.02 0.02) = 0.004% HN LYS+ 108 - HA GLU- 12 1.299% * 0.0032% (0.04 1.0 0.02 0.02) = 0.003% HN GLY 114 - HA GLU- 12 1.299% * 0.0030% (0.04 1.0 0.02 0.02) = 0.003% HN GLY 71 - HA GLU- 56 1.299% * 0.0029% (0.04 1.0 0.02 0.02) = 0.003% HN ASN 76 - HA GLU- 12 1.299% * 0.0023% (0.03 1.0 0.02 0.02) = 0.002% HN GLY 71 - HA GLU- 12 1.299% * 0.0015% (0.02 1.0 0.02 0.02) = 0.002% Peak 1006 (8.36, 4.21, 56.81 ppm): 20 chemical-shift based assignments, quality = 0.431, support = 2.56, residual support = 9.15: O HN LYS+ 108 - HA LYS+ 108 5.000% * 51.0906% (0.45 10.0 3.08 13.55) = 51.091% kept * O HN GLU- 109 - HA LYS+ 108 5.000% * 48.1153% (0.42 10.0 2.04 4.63) = 48.115% kept HN LYS+ 108 - HA GLU- 12 5.000% * 0.0918% (0.80 1.0 0.02 0.02) = 0.092% HN ALA 103 - HA GLU- 12 5.000% * 0.0904% (0.79 1.0 0.02 0.02) = 0.090% HN GLU- 109 - HA GLU- 12 5.000% * 0.0865% (0.76 1.0 0.02 0.02) = 0.086% HN GLY 71 - HA GLU- 12 5.000% * 0.0716% (0.63 1.0 0.02 0.02) = 0.072% HN LYS+ 108 - HA GLU- 10 5.000% * 0.0512% (0.45 1.0 0.02 0.02) = 0.051% HN ALA 103 - HA GLU- 10 5.000% * 0.0504% (0.44 1.0 0.02 0.02) = 0.050% HN ALA 103 - HA LYS+ 108 5.000% * 0.0503% (0.44 1.0 0.02 0.02) = 0.050% HN GLU- 109 - HA GLU- 10 5.000% * 0.0482% (0.42 1.0 0.02 0.02) = 0.048% HN GLY 71 - HA GLU- 10 5.000% * 0.0399% (0.35 1.0 0.02 0.02) = 0.040% HN GLY 71 - HA LYS+ 108 5.000% * 0.0398% (0.35 1.0 0.02 0.02) = 0.040% HN GLU- 50 - HA GLU- 12 5.000% * 0.0385% (0.34 1.0 0.02 0.02) = 0.039% HN LYS+ 108 - HA ASP- 82 5.000% * 0.0224% (0.20 1.0 0.02 0.02) = 0.022% HN ALA 103 - HA ASP- 82 5.000% * 0.0221% (0.19 1.0 0.02 0.02) = 0.022% HN GLU- 50 - HA GLU- 10 5.000% * 0.0215% (0.19 1.0 0.02 0.02) = 0.021% HN GLU- 50 - HA LYS+ 108 5.000% * 0.0214% (0.19 1.0 0.02 0.02) = 0.021% HN GLU- 109 - HA ASP- 82 5.000% * 0.0211% (0.18 1.0 0.02 0.02) = 0.021% HN GLY 71 - HA ASP- 82 5.000% * 0.0175% (0.15 1.0 0.02 0.02) = 0.017% HN GLU- 50 - HA ASP- 82 5.000% * 0.0094% (0.08 1.0 0.02 0.02) = 0.009% Peak 1007 (8.07, 4.22, 56.74 ppm): 36 chemical-shift based assignments, quality = 0.454, support = 0.774, residual support = 0.423: * HN LYS+ 110 - HA LYS+ 108 2.778% * 25.5105% (0.42 1.27 0.39) = 25.510% kept HN MET 118 - HA GLU- 12 2.778% * 20.5715% (0.58 0.75 0.65) = 20.572% kept HN LYS+ 110 - HA GLU- 12 2.778% * 17.1336% (0.53 0.68 0.02) = 17.134% kept HN ASN 15 - HA GLU- 12 2.778% * 15.3522% (0.46 0.71 1.19) = 15.352% kept HN GLU- 75 - HA GLU- 12 2.778% * 6.0498% (0.58 0.22 0.02) = 6.050% kept HN CYS 121 - HA GLU- 12 2.778% * 5.2965% (0.53 0.21 0.02) = 5.296% kept HN GLU- 75 - HA ASN 76 2.778% * 2.7650% (0.05 1.18 0.02) = 2.765% kept HN MET 118 - HA ASN 119 2.778% * 2.1740% (0.06 0.71 0.02) = 2.174% kept HN GLU- 75 - HA GLU- 10 2.778% * 0.4404% (0.46 0.02 0.02) = 0.440% HN MET 118 - HA GLU- 10 2.778% * 0.4404% (0.46 0.02 0.02) = 0.440% HN GLU- 75 - HA LYS+ 108 2.778% * 0.4360% (0.46 0.02 0.02) = 0.436% HN MET 118 - HA LYS+ 108 2.778% * 0.4360% (0.46 0.02 0.02) = 0.436% HN CYS 121 - HA GLU- 10 2.778% * 0.4066% (0.43 0.02 0.02) = 0.407% HN LYS+ 110 - HA GLU- 10 2.778% * 0.4066% (0.43 0.02 0.02) = 0.407% HN CYS 121 - HA LYS+ 108 2.778% * 0.4025% (0.42 0.02 0.02) = 0.402% HN ASN 15 - HA GLU- 10 2.778% * 0.3488% (0.37 0.02 0.02) = 0.349% HN ASN 15 - HA LYS+ 108 2.778% * 0.3453% (0.36 0.02 0.02) = 0.345% HN GLU- 75 - HA GLU- 107 2.778% * 0.1426% (0.15 0.02 0.02) = 0.143% HN MET 118 - HA GLU- 107 2.778% * 0.1426% (0.15 0.02 0.02) = 0.143% HN VAL 122 - HA GLU- 12 2.778% * 0.1410% (0.15 0.02 0.02) = 0.141% HN CYS 121 - HA GLU- 107 2.778% * 0.1317% (0.14 0.02 0.02) = 0.132% HN LYS+ 110 - HA GLU- 107 2.778% * 0.1317% (0.14 0.02 0.02) = 0.132% HN VAL 122 - HA GLU- 10 2.778% * 0.1130% (0.12 0.02 0.02) = 0.113% HN ASN 15 - HA GLU- 107 2.778% * 0.1129% (0.12 0.02 0.02) = 0.113% HN VAL 122 - HA LYS+ 108 2.778% * 0.1119% (0.12 0.02 0.02) = 0.112% HN GLU- 75 - HA ASN 119 2.778% * 0.0611% (0.06 0.02 0.02) = 0.061% HN CYS 121 - HA ASN 119 2.778% * 0.0564% (0.06 0.02 0.02) = 0.056% HN LYS+ 110 - HA ASN 119 2.778% * 0.0564% (0.06 0.02 0.02) = 0.056% HN ASN 15 - HA ASN 119 2.778% * 0.0484% (0.05 0.02 0.95) = 0.048% HN MET 118 - HA ASN 76 2.778% * 0.0468% (0.05 0.02 0.02) = 0.047% HN CYS 121 - HA ASN 76 2.778% * 0.0432% (0.05 0.02 0.02) = 0.043% HN LYS+ 110 - HA ASN 76 2.778% * 0.0432% (0.05 0.02 0.02) = 0.043% HN ASN 15 - HA ASN 76 2.778% * 0.0371% (0.04 0.02 0.02) = 0.037% HN VAL 122 - HA GLU- 107 2.778% * 0.0366% (0.04 0.02 0.02) = 0.037% HN VAL 122 - HA ASN 119 2.778% * 0.0157% (0.02 0.02 0.02) = 0.016% HN VAL 122 - HA ASN 76 2.778% * 0.0120% (0.01 0.02 0.02) = 0.012% Peak 1009 (7.35, 4.28, 56.67 ppm): 28 chemical-shift based assignments, quality = 0.328, support = 0.787, residual support = 1.68: HZ PHE 34 - HA ARG+ 84 3.571% * 44.2612% (0.38 1.29 2.40) = 44.261% kept QE PHE 34 - HA ARG+ 84 3.571% * 17.4049% (0.38 0.51 2.40) = 17.405% kept HZ2 TRP 51 - HA ARG+ 84 3.571% * 16.9719% (0.38 0.50 1.04) = 16.972% kept QE PHE 34 - HA SER 85 3.571% * 3.6918% (0.12 0.33 0.02) = 3.692% kept HZ PHE 34 - HA SER 85 3.571% * 3.4361% (0.12 0.31 0.02) = 3.436% kept HE22 GLN 102 - HA GLU- 75 3.571% * 3.0284% (0.12 0.28 0.55) = 3.028% kept HZ2 TRP 51 - HA SER 85 3.571% * 3.0083% (0.12 0.27 0.02) = 3.008% kept HE22 GLN 102 - HA GLU- 107 3.571% * 2.2499% (0.24 0.11 0.02) = 2.250% kept HE22 GLN 102 - HA ARG+ 84 3.571% * 1.0496% (0.59 0.02 0.02) = 1.050% kept HE22 GLN 102 - HA ASN 76 3.571% * 0.9843% (0.13 0.08 0.02) = 0.984% HE22 GLN 102 - HA SER 85 3.571% * 0.3406% (0.19 0.02 0.02) = 0.341% HE22 GLN 102 - HA ASN 119 3.571% * 0.3338% (0.19 0.02 0.02) = 0.334% HE22 GLN 102 - HA GLU- 64 3.571% * 0.2914% (0.16 0.02 0.02) = 0.291% HZ2 TRP 51 - HA GLU- 107 3.571% * 0.2760% (0.15 0.02 0.02) = 0.276% QE PHE 34 - HA GLU- 107 3.571% * 0.2760% (0.15 0.02 0.02) = 0.276% HZ PHE 34 - HA GLU- 107 3.571% * 0.2760% (0.15 0.02 0.02) = 0.276% HZ2 TRP 51 - HA ASN 119 3.571% * 0.2179% (0.12 0.02 0.02) = 0.218% HZ PHE 34 - HA ASN 119 3.571% * 0.2179% (0.12 0.02 0.02) = 0.218% QE PHE 34 - HA ASN 119 3.571% * 0.2179% (0.12 0.02 0.02) = 0.218% HZ PHE 34 - HA GLU- 64 3.571% * 0.1902% (0.11 0.02 0.02) = 0.190% QE PHE 34 - HA GLU- 64 3.571% * 0.1902% (0.11 0.02 0.02) = 0.190% HZ2 TRP 51 - HA GLU- 64 3.571% * 0.1902% (0.11 0.02 0.02) = 0.190% QE PHE 34 - HA ASN 76 3.571% * 0.1564% (0.09 0.02 0.02) = 0.156% HZ2 TRP 51 - HA ASN 76 3.571% * 0.1564% (0.09 0.02 0.02) = 0.156% HZ PHE 34 - HA ASN 76 3.571% * 0.1564% (0.09 0.02 0.02) = 0.156% QE PHE 34 - HA GLU- 75 3.571% * 0.1421% (0.08 0.02 0.02) = 0.142% HZ2 TRP 51 - HA GLU- 75 3.571% * 0.1421% (0.08 0.02 0.12) = 0.142% HZ PHE 34 - HA GLU- 75 3.571% * 0.1421% (0.08 0.02 0.02) = 0.142% Peak 1012 (4.80, 4.28, 56.88 ppm): 32 chemical-shift based assignments, quality = 0.407, support = 1.3, residual support = 1.86: HA GLU- 18 - HA SER 85 3.125% * 24.5406% (0.48 1.51 2.22) = 24.541% kept HA GLU- 18 - HA ARG+ 84 3.125% * 24.4438% (0.46 1.57 3.05) = 24.444% kept HB THR 39 - HA SER 85 3.125% * 21.9066% (0.45 1.45 2.34) = 21.907% kept HB THR 39 - HA ARG+ 84 3.125% * 16.2577% (0.43 1.13 0.33) = 16.258% kept HA ASN 15 - HA GLU- 107 3.125% * 3.0036% (0.22 0.40 0.02) = 3.004% kept HA LEU 23 - HA GLU- 10 3.125% * 2.8619% (0.12 0.69 0.02) = 2.862% kept HA ASN 15 - HA GLU- 10 3.125% * 1.2931% (0.06 0.60 0.02) = 1.293% kept HA LEU 23 - HA SER 85 3.125% * 0.5432% (0.80 0.02 0.02) = 0.543% HA LEU 23 - HA ARG+ 84 3.125% * 0.5194% (0.77 0.02 0.02) = 0.519% HA LEU 23 - HA GLU- 64 3.125% * 0.4425% (0.65 0.02 0.02) = 0.442% HA LEU 23 - HA GLU- 75 3.125% * 0.3926% (0.58 0.02 0.02) = 0.393% HA LEU 23 - HA GLU- 56 3.125% * 0.3395% (0.50 0.02 0.02) = 0.340% HA LEU 23 - HA GLU- 107 3.125% * 0.2911% (0.43 0.02 0.02) = 0.291% HA ASN 15 - HA SER 85 3.125% * 0.2795% (0.41 0.02 0.02) = 0.280% HA ASN 15 - HA ARG+ 84 3.125% * 0.2673% (0.39 0.02 0.02) = 0.267% HA GLU- 18 - HA GLU- 64 3.125% * 0.2648% (0.39 0.02 0.02) = 0.265% HB THR 39 - HA GLU- 64 3.125% * 0.2461% (0.36 0.02 0.02) = 0.246% HA GLU- 18 - HA GLU- 75 3.125% * 0.2350% (0.35 0.02 0.02) = 0.235% HA ASN 15 - HA GLU- 64 3.125% * 0.2277% (0.34 0.02 0.02) = 0.228% HB THR 39 - HA GLU- 75 3.125% * 0.2184% (0.32 0.02 0.02) = 0.218% HA GLU- 18 - HA GLU- 56 3.125% * 0.2032% (0.30 0.02 0.02) = 0.203% HA ASN 15 - HA GLU- 75 3.125% * 0.2020% (0.30 0.02 0.02) = 0.202% HB THR 39 - HA GLU- 56 3.125% * 0.1888% (0.28 0.02 0.02) = 0.189% HA ASN 15 - HA GLU- 56 3.125% * 0.1747% (0.26 0.02 0.02) = 0.175% HA GLU- 18 - HA GLU- 107 3.125% * 0.1742% (0.26 0.02 0.02) = 0.174% HB THR 39 - HA GLU- 107 3.125% * 0.1619% (0.24 0.02 0.02) = 0.162% HA LEU 23 - HA LYS+ 108 3.125% * 0.0841% (0.12 0.02 0.02) = 0.084% HA GLU- 18 - HA LYS+ 108 3.125% * 0.0503% (0.07 0.02 0.02) = 0.050% HA GLU- 18 - HA GLU- 10 3.125% * 0.0500% (0.07 0.02 0.02) = 0.050% HB THR 39 - HA LYS+ 108 3.125% * 0.0467% (0.07 0.02 0.02) = 0.047% HB THR 39 - HA GLU- 10 3.125% * 0.0464% (0.07 0.02 0.02) = 0.046% HA ASN 15 - HA LYS+ 108 3.125% * 0.0432% (0.06 0.02 0.02) = 0.043% Peak 1014 (4.44, 4.25, 56.86 ppm): 88 chemical-shift based assignments, quality = 0.284, support = 0.506, residual support = 1.05: O HA PRO 86 - HA SER 85 1.136% * 36.9081% (0.06 10.0 1.00 2.67) = 36.908% kept HB THR 24 - HA GLU- 10 1.136% * 16.6591% (0.90 1.0 0.31 0.02) = 16.659% kept HA MET 118 - HA GLU- 12 1.136% * 8.7889% (0.23 1.0 0.64 0.65) = 8.789% kept HA LYS+ 111 - HA LYS+ 108 1.136% * 5.0488% (0.89 1.0 0.10 0.02) = 5.049% kept HA LYS+ 66 - HA GLU- 64 1.136% * 4.3565% (0.31 1.0 0.24 0.02) = 4.356% kept HA HIS+ 14 - HA GLU- 12 1.136% * 3.0414% (0.12 1.0 0.43 0.02) = 3.041% kept HB THR 24 - HA LYS+ 108 1.136% * 1.0761% (0.91 1.0 0.02 0.02) = 1.076% kept HA LYS+ 111 - HA GLU- 10 1.136% * 1.0544% (0.89 1.0 0.02 0.02) = 1.054% kept HB THR 24 - HA GLU- 107 1.136% * 1.0046% (0.85 1.0 0.02 0.02) = 1.005% kept HA LYS+ 111 - HA GLU- 107 1.136% * 0.9891% (0.83 1.0 0.02 0.02) = 0.989% HA PRO 86 - HA ARG+ 84 1.136% * 0.9103% (0.06 1.0 0.24 0.02) = 0.910% HA PRO 116 - HA GLU- 12 1.136% * 0.9073% (0.06 1.0 0.26 0.02) = 0.907% HB THR 24 - HA GLU- 64 1.136% * 0.6844% (0.58 1.0 0.02 0.02) = 0.684% HA LYS+ 111 - HA GLU- 64 1.136% * 0.6739% (0.57 1.0 0.02 0.02) = 0.674% HA MET 118 - HA LYS+ 108 1.136% * 0.6659% (0.56 1.0 0.02 0.02) = 0.666% HA MET 118 - HA GLU- 10 1.136% * 0.6627% (0.56 1.0 0.02 0.02) = 0.663% HB THR 24 - HA GLU- 75 1.136% * 0.6517% (0.55 1.0 0.02 0.02) = 0.652% HA LYS+ 111 - HA GLU- 75 1.136% * 0.6416% (0.54 1.0 0.02 0.02) = 0.642% HA MET 118 - HA GLU- 107 1.136% * 0.6216% (0.52 1.0 0.02 0.02) = 0.622% HA LYS+ 66 - HA LYS+ 108 1.136% * 0.5776% (0.49 1.0 0.02 0.02) = 0.578% HA LYS+ 66 - HA GLU- 10 1.136% * 0.5748% (0.48 1.0 0.02 0.02) = 0.575% HA LYS+ 66 - HA GLU- 107 1.136% * 0.5392% (0.45 1.0 0.02 0.02) = 0.539% HA GLU- 50 - HA LYS+ 108 1.136% * 0.4514% (0.38 1.0 0.02 0.02) = 0.451% HA GLU- 50 - HA GLU- 10 1.136% * 0.4492% (0.38 1.0 0.02 0.02) = 0.449% HB THR 24 - HA GLU- 12 1.136% * 0.4462% (0.38 1.0 0.02 0.02) = 0.446% HA LYS+ 111 - HA GLU- 12 1.136% * 0.4393% (0.37 1.0 0.02 0.02) = 0.439% HA MET 118 - HA GLU- 64 1.136% * 0.4235% (0.36 1.0 0.02 0.02) = 0.424% HA GLU- 50 - HA GLU- 107 1.136% * 0.4213% (0.36 1.0 0.02 0.02) = 0.421% HA MET 118 - HA GLU- 75 1.136% * 0.4032% (0.34 1.0 0.02 0.02) = 0.403% HB THR 24 - HA ARG+ 84 1.136% * 0.3802% (0.32 1.0 0.02 0.02) = 0.380% HA LYS+ 111 - HA ARG+ 84 1.136% * 0.3744% (0.32 1.0 0.02 0.02) = 0.374% HB THR 24 - HA SER 85 1.136% * 0.3656% (0.31 1.0 0.02 0.02) = 0.366% HB THR 24 - HA GLU- 56 1.136% * 0.3621% (0.31 1.0 0.02 0.02) = 0.362% HA LYS+ 111 - HA SER 85 1.136% * 0.3600% (0.30 1.0 0.02 0.02) = 0.360% HA LYS+ 111 - HA GLU- 56 1.136% * 0.3565% (0.30 1.0 0.02 0.02) = 0.356% HA LYS+ 66 - HA GLU- 75 1.136% * 0.3498% (0.29 1.0 0.02 0.02) = 0.350% HA HIS+ 14 - HA LYS+ 108 1.136% * 0.3389% (0.29 1.0 0.02 0.02) = 0.339% HA HIS+ 14 - HA GLU- 10 1.136% * 0.3372% (0.28 1.0 0.02 0.02) = 0.337% HA HIS+ 14 - HA GLU- 107 1.136% * 0.3163% (0.27 1.0 0.02 0.02) = 0.316% HA GLU- 50 - HA GLU- 64 1.136% * 0.2871% (0.24 1.0 0.02 0.02) = 0.287% HA GLU- 50 - HA GLU- 75 1.136% * 0.2733% (0.23 1.0 0.02 0.72) = 0.273% HA LYS+ 66 - HA GLU- 12 1.136% * 0.2395% (0.20 1.0 0.02 0.02) = 0.240% HA MET 118 - HA ARG+ 84 1.136% * 0.2353% (0.20 1.0 0.02 0.02) = 0.235% HA MET 118 - HA SER 85 1.136% * 0.2262% (0.19 1.0 0.02 0.02) = 0.226% HA MET 118 - HA GLU- 56 1.136% * 0.2240% (0.19 1.0 0.02 0.02) = 0.224% HA PRO 86 - HA LYS+ 108 1.136% * 0.2173% (0.18 1.0 0.02 0.02) = 0.217% HA PRO 86 - HA GLU- 10 1.136% * 0.2162% (0.18 1.0 0.02 0.02) = 0.216% HA HIS+ 14 - HA GLU- 64 1.136% * 0.2155% (0.18 1.0 0.02 0.02) = 0.216% HA HIS+ 14 - HA GLU- 75 1.136% * 0.2052% (0.17 1.0 0.02 0.13) = 0.205% HA LYS+ 66 - HA ARG+ 84 1.136% * 0.2041% (0.17 1.0 0.02 0.02) = 0.204% HA PRO 86 - HA GLU- 107 1.136% * 0.2028% (0.17 1.0 0.02 0.02) = 0.203% HA LYS+ 66 - HA SER 85 1.136% * 0.1962% (0.17 1.0 0.02 0.02) = 0.196% HA LYS+ 66 - HA GLU- 56 1.136% * 0.1943% (0.16 1.0 0.02 0.02) = 0.194% HA GLU- 50 - HA GLU- 12 1.136% * 0.1872% (0.16 1.0 0.02 0.02) = 0.187% HA PRO 116 - HA LYS+ 108 1.136% * 0.1694% (0.14 1.0 0.02 0.02) = 0.169% HA PRO 116 - HA GLU- 10 1.136% * 0.1686% (0.14 1.0 0.02 0.02) = 0.169% HB THR 24 - HA ASN 119 1.136% * 0.1632% (0.14 1.0 0.02 0.02) = 0.163% HA LYS+ 111 - HA ASN 119 1.136% * 0.1607% (0.14 1.0 0.02 0.02) = 0.161% HA GLU- 50 - HA ARG+ 84 1.136% * 0.1595% (0.13 1.0 0.02 0.02) = 0.159% HA PRO 116 - HA GLU- 107 1.136% * 0.1581% (0.13 1.0 0.02 0.02) = 0.158% HA GLU- 50 - HA SER 85 1.136% * 0.1533% (0.13 1.0 0.02 0.02) = 0.153% HA GLU- 50 - HA GLU- 56 1.136% * 0.1519% (0.13 1.0 0.02 0.47) = 0.152% HA PRO 86 - HA GLU- 64 1.136% * 0.1382% (0.12 1.0 0.02 0.02) = 0.138% HA PRO 86 - HA GLU- 75 1.136% * 0.1316% (0.11 1.0 0.02 0.02) = 0.132% HA HIS+ 14 - HA ARG+ 84 1.136% * 0.1197% (0.10 1.0 0.02 0.02) = 0.120% HA HIS+ 14 - HA SER 85 1.136% * 0.1151% (0.10 1.0 0.02 0.02) = 0.115% HA HIS+ 14 - HA GLU- 56 1.136% * 0.1140% (0.10 1.0 0.02 0.02) = 0.114% HA PRO 116 - HA GLU- 64 1.136% * 0.1077% (0.09 1.0 0.02 0.02) = 0.108% HA PRO 116 - HA GLU- 75 1.136% * 0.1026% (0.09 1.0 0.02 0.02) = 0.103% HA MET 118 - HA ASN 119 1.136% * 0.1010% (0.09 1.0 0.02 0.02) = 0.101% HA PRO 86 - HA GLU- 12 1.136% * 0.0901% (0.08 1.0 0.02 0.02) = 0.090% HA LYS+ 66 - HA ASN 119 1.136% * 0.0876% (0.07 1.0 0.02 0.02) = 0.088% HA PRO 86 - HA GLU- 56 1.136% * 0.0731% (0.06 1.0 0.02 0.02) = 0.073% HA GLU- 50 - HA ASN 119 1.136% * 0.0684% (0.06 1.0 0.02 0.02) = 0.068% HA PRO 116 - HA ARG+ 84 1.136% * 0.0599% (0.05 1.0 0.02 0.02) = 0.060% HB THR 24 - HA ASP- 82 1.136% * 0.0577% (0.05 1.0 0.02 0.02) = 0.058% HA PRO 116 - HA SER 85 1.136% * 0.0576% (0.05 1.0 0.02 0.02) = 0.058% HA PRO 116 - HA GLU- 56 1.136% * 0.0570% (0.05 1.0 0.02 0.02) = 0.057% HA LYS+ 111 - HA ASP- 82 1.136% * 0.0568% (0.05 1.0 0.02 0.02) = 0.057% HA HIS+ 14 - HA ASN 119 1.136% * 0.0514% (0.04 1.0 0.02 0.02) = 0.051% HA MET 118 - HA ASP- 82 1.136% * 0.0357% (0.03 1.0 0.02 0.02) = 0.036% HA PRO 86 - HA ASN 119 1.136% * 0.0329% (0.03 1.0 0.02 0.02) = 0.033% HA LYS+ 66 - HA ASP- 82 1.136% * 0.0310% (0.03 1.0 0.02 0.02) = 0.031% HA PRO 116 - HA ASN 119 1.136% * 0.0257% (0.02 1.0 0.02 0.02) = 0.026% HA GLU- 50 - HA ASP- 82 1.136% * 0.0242% (0.02 1.0 0.02 0.02) = 0.024% HA HIS+ 14 - HA ASP- 82 1.136% * 0.0182% (0.02 1.0 0.02 0.02) = 0.018% HA PRO 86 - HA ASP- 82 1.136% * 0.0116% (0.01 1.0 0.02 0.02) = 0.012% HA PRO 116 - HA ASP- 82 1.136% * 0.0091% (0.01 1.0 0.02 0.02) = 0.009% Peak 1021 (4.26, 4.26, 56.70 ppm): 10 diagonal assignments: * HA GLU- 107 - HA GLU- 107 (0.73) kept HA ARG+ 84 - HA ARG+ 84 (0.56) kept HA ASN 119 - HA ASN 119 (0.44) kept HA GLU- 64 - HA GLU- 64 (0.41) kept HA GLU- 75 - HA GLU- 75 (0.33) kept HA ASN 76 - HA ASN 76 (0.31) kept HA SER 85 - HA SER 85 (0.22) kept HA GLU- 56 - HA GLU- 56 (0.15) kept HA GLU- 10 - HA GLU- 10 (0.13) kept HA LYS+ 108 - HA LYS+ 108 (0.13) kept Peak 1032 (4.22, 4.21, 56.84 ppm): 4 diagonal assignments: * HA GLU- 12 - HA GLU- 12 (0.89) kept HA LYS+ 108 - HA LYS+ 108 (0.24) kept HA GLU- 10 - HA GLU- 10 (0.24) kept HA ASP- 82 - HA ASP- 82 (0.16) kept Peak 1051 (1.99, 4.25, 56.88 ppm): 126 chemical-shift based assignments, quality = 0.503, support = 2.18, residual support = 10.7: T HB2 LYS+ 108 - HA GLU- 107 0.794% * 30.9517% (0.83 1.0 10.00 1.94 5.96) = 30.952% kept * O T HB2 LYS+ 108 - HA LYS+ 108 0.794% * 25.0617% (0.65 10.0 10.00 2.39 13.55) = 25.062% kept O T HB3 GLU- 107 - HA GLU- 107 0.794% * 9.8811% (0.26 10.0 10.00 2.46 6.21) = 9.881% kept O T HB3 GLU- 56 - HA GLU- 56 0.794% * 9.8775% (0.26 10.0 10.00 3.65 29.00) = 9.877% kept T HB3 GLU- 107 - HA LYS+ 108 0.794% * 7.6084% (0.20 1.0 10.00 1.96 5.96) = 7.608% kept O T HB3 GLU- 75 - HA GLU- 75 0.794% * 6.1156% (0.16 10.0 10.00 2.97 24.21) = 6.116% kept HB2 PRO 86 - HA SER 85 0.794% * 1.7880% (0.39 1.0 1.00 2.40 2.67) = 1.788% kept T HB3 GLU- 75 - HA GLU- 56 0.794% * 0.9513% (0.10 1.0 10.00 0.49 0.02) = 0.951% T HB3 GLU- 75 - HA GLU- 10 0.794% * 0.7074% (0.15 1.0 10.00 0.25 0.02) = 0.707% HG2 PRO 112 - HA GLU- 56 0.794% * 0.6529% (0.25 1.0 1.00 1.34 0.14) = 0.653% T HB3 GLU- 75 - HA GLU- 12 0.794% * 0.3947% (0.04 1.0 10.00 0.47 0.02) = 0.395% HG2 PRO 112 - HA GLU- 64 0.794% * 0.3469% (0.42 1.0 1.00 0.43 0.02) = 0.347% T HB2 LYS+ 108 - HA GLU- 10 0.794% * 0.2489% (0.65 1.0 10.00 0.02 0.02) = 0.249% T HB2 HIS+ 14 - HA GLU- 107 0.794% * 0.2299% (0.60 1.0 10.00 0.02 0.02) = 0.230% T HB2 HIS+ 14 - HA GLU- 64 0.794% * 0.2015% (0.52 1.0 10.00 0.02 0.02) = 0.202% T HB2 HIS+ 14 - HA GLU- 75 0.794% * 0.1908% (0.50 1.0 10.00 0.02 0.13) = 0.191% T HB3 GLU- 56 - HA GLU- 107 0.794% * 0.1870% (0.49 1.0 10.00 0.02 0.02) = 0.187% T HB2 GLU- 18 - HA GLU- 107 0.794% * 0.1870% (0.49 1.0 10.00 0.02 0.02) = 0.187% T HB2 HIS+ 14 - HA LYS+ 108 0.794% * 0.1808% (0.47 1.0 10.00 0.02 0.02) = 0.181% T HB2 HIS+ 14 - HA GLU- 10 0.794% * 0.1795% (0.47 1.0 10.00 0.02 0.02) = 0.180% HG2 PRO 112 - HA GLU- 10 0.794% * 0.1713% (0.37 1.0 1.00 0.24 0.02) = 0.171% T HB3 GLU- 56 - HA GLU- 64 0.794% * 0.1639% (0.43 1.0 10.00 0.02 0.02) = 0.164% T HB2 GLU- 18 - HA GLU- 64 0.794% * 0.1639% (0.43 1.0 10.00 0.02 0.02) = 0.164% T HB2 GLU- 18 - HA GLU- 75 0.794% * 0.1552% (0.40 1.0 10.00 0.02 0.02) = 0.155% T HB3 GLU- 56 - HA GLU- 75 0.794% * 0.1552% (0.40 1.0 10.00 0.02 0.02) = 0.155% T HB3 GLU- 56 - HA LYS+ 108 0.794% * 0.1470% (0.38 1.0 10.00 0.02 0.02) = 0.147% T HB2 GLU- 18 - HA LYS+ 108 0.794% * 0.1470% (0.38 1.0 10.00 0.02 0.02) = 0.147% T HB3 GLU- 56 - HA GLU- 10 0.794% * 0.1460% (0.38 1.0 10.00 0.02 0.02) = 0.146% T HB2 GLU- 18 - HA GLU- 10 0.794% * 0.1460% (0.38 1.0 10.00 0.02 0.02) = 0.146% HG2 PRO 112 - HA GLU- 12 0.794% * 0.1333% (0.11 1.0 1.00 0.63 0.22) = 0.133% T HB2 HIS+ 14 - HA SER 85 0.794% * 0.1326% (0.35 1.0 10.00 0.02 0.02) = 0.133% T HB2 HIS+ 14 - HA ARG+ 84 0.794% * 0.1247% (0.32 1.0 10.00 0.02 0.02) = 0.125% T HB2 HIS+ 14 - HA GLU- 56 0.794% * 0.1215% (0.32 1.0 10.00 0.02 0.02) = 0.121% T HB3 GLU- 56 - HA SER 85 0.794% * 0.1079% (0.28 1.0 10.00 0.02 0.02) = 0.108% T HB2 GLU- 18 - HA SER 85 0.794% * 0.1079% (0.28 1.0 10.00 0.02 2.22) = 0.108% T HB2 GLU- 18 - HA ARG+ 84 0.794% * 0.1014% (0.26 1.0 10.00 0.02 3.05) = 0.101% T HB3 GLU- 56 - HA ARG+ 84 0.794% * 0.1014% (0.26 1.0 10.00 0.02 0.02) = 0.101% T HB2 GLU- 18 - HA GLU- 56 0.794% * 0.0988% (0.26 1.0 10.00 0.02 0.02) = 0.099% T HB3 GLU- 107 - HA GLU- 64 0.794% * 0.0866% (0.23 1.0 10.00 0.02 0.02) = 0.087% T HB3 GLU- 107 - HA GLU- 75 0.794% * 0.0820% (0.21 1.0 10.00 0.02 0.02) = 0.082% T HB3 GLU- 107 - HA GLU- 10 0.794% * 0.0771% (0.20 1.0 10.00 0.02 0.02) = 0.077% T HB3 GLU- 75 - HA GLU- 107 0.794% * 0.0737% (0.19 1.0 10.00 0.02 0.02) = 0.074% T HB2 LYS+ 108 - HA GLU- 12 0.794% * 0.0728% (0.19 1.0 10.00 0.02 0.02) = 0.073% T HB3 GLU- 75 - HA GLU- 64 0.794% * 0.0646% (0.17 1.0 10.00 0.02 0.02) = 0.065% T HB3 GLU- 75 - HA LYS+ 108 0.794% * 0.0579% (0.15 1.0 10.00 0.02 0.02) = 0.058% T HB2 HIS+ 14 - HA GLU- 12 0.794% * 0.0525% (0.14 1.0 10.00 0.02 0.02) = 0.052% T HB3 GLU- 107 - HA GLU- 56 0.794% * 0.0522% (0.14 1.0 10.00 0.02 0.02) = 0.052% T HB3 GLU- 56 - HA GLU- 12 0.794% * 0.0427% (0.11 1.0 10.00 0.02 0.02) = 0.043% T HB3 GLU- 75 - HA SER 85 0.794% * 0.0425% (0.11 1.0 10.00 0.02 0.02) = 0.043% T HB3 GLU- 75 - HA ARG+ 84 0.794% * 0.0400% (0.10 1.0 10.00 0.02 0.02) = 0.040% HB2 LYS+ 108 - HA GLU- 64 0.794% * 0.0279% (0.73 1.0 1.00 0.02 0.02) = 0.028% HB2 LYS+ 108 - HA GLU- 75 0.794% * 0.0265% (0.69 1.0 1.00 0.02 0.02) = 0.026% HB2 PRO 86 - HA GLU- 107 0.794% * 0.0258% (0.67 1.0 1.00 0.02 0.02) = 0.026% HB3 MET 118 - HA GLU- 107 0.794% * 0.0230% (0.60 1.0 1.00 0.02 0.02) = 0.023% HB2 PRO 86 - HA GLU- 64 0.794% * 0.0226% (0.59 1.0 1.00 0.02 0.02) = 0.023% T HB3 GLU- 107 - HA GLU- 12 0.794% * 0.0226% (0.06 1.0 10.00 0.02 0.02) = 0.023% HB2 PRO 86 - HA GLU- 75 0.794% * 0.0214% (0.56 1.0 1.00 0.02 0.02) = 0.021% HB2 PRO 86 - HA LYS+ 108 0.794% * 0.0203% (0.53 1.0 1.00 0.02 0.02) = 0.020% HB3 MET 118 - HA GLU- 64 0.794% * 0.0202% (0.52 1.0 1.00 0.02 0.02) = 0.020% HB2 PRO 86 - HA GLU- 10 0.794% * 0.0201% (0.52 1.0 1.00 0.02 0.02) = 0.020% HG3 PRO 112 - HA GLU- 107 0.794% * 0.0201% (0.52 1.0 1.00 0.02 0.02) = 0.020% HB3 MET 118 - HA GLU- 75 0.794% * 0.0191% (0.50 1.0 1.00 0.02 0.02) = 0.019% HG2 PRO 112 - HA GLU- 107 0.794% * 0.0184% (0.48 1.0 1.00 0.02 0.02) = 0.018% HB2 LYS+ 108 - HA SER 85 0.794% * 0.0184% (0.48 1.0 1.00 0.02 0.02) = 0.018% HB3 MET 118 - HA LYS+ 108 0.794% * 0.0181% (0.47 1.0 1.00 0.02 0.02) = 0.018% HB3 MET 118 - HA GLU- 10 0.794% * 0.0180% (0.47 1.0 1.00 0.02 0.02) = 0.018% HG3 PRO 112 - HA GLU- 64 0.794% * 0.0176% (0.46 1.0 1.00 0.02 0.02) = 0.018% HB2 LYS+ 108 - HA ARG+ 84 0.794% * 0.0173% (0.45 1.0 1.00 0.02 0.02) = 0.017% HB2 LYS+ 108 - HA GLU- 56 0.794% * 0.0168% (0.44 1.0 1.00 0.02 0.02) = 0.017% HG3 PRO 112 - HA GLU- 75 0.794% * 0.0167% (0.43 1.0 1.00 0.02 0.30) = 0.017% HG3 PRO 112 - HA LYS+ 108 0.794% * 0.0158% (0.41 1.0 1.00 0.02 0.02) = 0.016% HG3 PRO 112 - HA GLU- 10 0.794% * 0.0157% (0.41 1.0 1.00 0.02 0.02) = 0.016% HG2 PRO 112 - HA GLU- 75 0.794% * 0.0153% (0.40 1.0 1.00 0.02 0.30) = 0.015% HG3 PRO 104 - HA GLU- 107 0.794% * 0.0146% (0.38 1.0 1.00 0.02 0.02) = 0.015% HG2 PRO 112 - HA LYS+ 108 0.794% * 0.0145% (0.38 1.0 1.00 0.02 0.02) = 0.014% HB2 PRO 86 - HA ARG+ 84 0.794% * 0.0140% (0.36 1.0 1.00 0.02 0.02) = 0.014% HB2 PRO 86 - HA GLU- 56 0.794% * 0.0136% (0.36 1.0 1.00 0.02 0.02) = 0.014% HB3 MET 118 - HA SER 85 0.794% * 0.0133% (0.35 1.0 1.00 0.02 0.02) = 0.013% HG3 PRO 104 - HA GLU- 64 0.794% * 0.0128% (0.33 1.0 1.00 0.02 0.02) = 0.013% HB3 MET 118 - HA ARG+ 84 0.794% * 0.0125% (0.32 1.0 1.00 0.02 0.02) = 0.012% HB3 MET 118 - HA GLU- 56 0.794% * 0.0121% (0.32 1.0 1.00 0.02 0.02) = 0.012% HG3 PRO 104 - HA GLU- 75 0.794% * 0.0121% (0.32 1.0 1.00 0.02 0.02) = 0.012% HB VAL 73 - HA GLU- 107 0.794% * 0.0121% (0.32 1.0 1.00 0.02 0.12) = 0.012% HG3 PRO 112 - HA SER 85 0.794% * 0.0116% (0.30 1.0 1.00 0.02 0.02) = 0.012% HG3 PRO 104 - HA LYS+ 108 0.794% * 0.0115% (0.30 1.0 1.00 0.02 0.02) = 0.011% HG3 PRO 104 - HA GLU- 10 0.794% * 0.0114% (0.30 1.0 1.00 0.02 0.02) = 0.011% HG2 PRO 116 - HA GLU- 107 0.794% * 0.0110% (0.29 1.0 1.00 0.02 0.02) = 0.011% HG3 PRO 112 - HA ARG+ 84 0.794% * 0.0109% (0.28 1.0 1.00 0.02 0.02) = 0.011% HG2 PRO 112 - HA SER 85 0.794% * 0.0106% (0.28 1.0 1.00 0.02 0.02) = 0.011% HG3 PRO 112 - HA GLU- 56 0.794% * 0.0106% (0.28 1.0 1.00 0.02 0.14) = 0.011% HB VAL 73 - HA GLU- 64 0.794% * 0.0106% (0.28 1.0 1.00 0.02 0.02) = 0.011% HB VAL 73 - HA GLU- 75 0.794% * 0.0101% (0.26 1.0 1.00 0.02 0.02) = 0.010% HG2 PRO 112 - HA ARG+ 84 0.794% * 0.0100% (0.26 1.0 1.00 0.02 0.02) = 0.010% HG2 PRO 116 - HA GLU- 64 0.794% * 0.0096% (0.25 1.0 1.00 0.02 0.02) = 0.010% HB VAL 73 - HA LYS+ 108 0.794% * 0.0095% (0.25 1.0 1.00 0.02 0.02) = 0.010% HB VAL 73 - HA GLU- 10 0.794% * 0.0095% (0.25 1.0 1.00 0.02 0.02) = 0.009% HG2 PRO 116 - HA GLU- 75 0.794% * 0.0091% (0.24 1.0 1.00 0.02 0.02) = 0.009% HG2 PRO 116 - HA LYS+ 108 0.794% * 0.0086% (0.22 1.0 1.00 0.02 0.02) = 0.009% HG2 PRO 116 - HA GLU- 10 0.794% * 0.0086% (0.22 1.0 1.00 0.02 0.02) = 0.009% HG3 PRO 104 - HA SER 85 0.794% * 0.0084% (0.22 1.0 1.00 0.02 0.02) = 0.008% HG3 PRO 104 - HA ARG+ 84 0.794% * 0.0079% (0.21 1.0 1.00 0.02 0.02) = 0.008% HG3 PRO 104 - HA GLU- 56 0.794% * 0.0077% (0.20 1.0 1.00 0.02 0.02) = 0.008% HB VAL 73 - HA SER 85 0.794% * 0.0070% (0.18 1.0 1.00 0.02 0.02) = 0.007% HB VAL 73 - HA ARG+ 84 0.794% * 0.0066% (0.17 1.0 1.00 0.02 0.02) = 0.007% HB VAL 73 - HA GLU- 56 0.794% * 0.0064% (0.17 1.0 1.00 0.02 0.02) = 0.006% HG2 PRO 116 - HA SER 85 0.794% * 0.0063% (0.16 1.0 1.00 0.02 0.02) = 0.006% HG2 PRO 116 - HA ARG+ 84 0.794% * 0.0059% (0.15 1.0 1.00 0.02 0.02) = 0.006% HB2 PRO 86 - HA GLU- 12 0.794% * 0.0059% (0.15 1.0 1.00 0.02 0.02) = 0.006% HG2 PRO 116 - HA GLU- 56 0.794% * 0.0058% (0.15 1.0 1.00 0.02 0.02) = 0.006% HB3 GLU- 107 - HA SER 85 0.794% * 0.0057% (0.15 1.0 1.00 0.02 0.02) = 0.006% HB3 PRO 31 - HA GLU- 107 0.794% * 0.0055% (0.14 1.0 1.00 0.02 0.02) = 0.005% HB3 GLU- 107 - HA ARG+ 84 0.794% * 0.0054% (0.14 1.0 1.00 0.02 0.02) = 0.005% HB3 MET 118 - HA GLU- 12 0.794% * 0.0052% (0.14 1.0 1.00 0.02 0.65) = 0.005% HB3 PRO 31 - HA GLU- 64 0.794% * 0.0048% (0.13 1.0 1.00 0.02 0.02) = 0.005% HG3 PRO 112 - HA GLU- 12 0.794% * 0.0046% (0.12 1.0 1.00 0.02 0.22) = 0.005% HB3 PRO 31 - HA GLU- 75 0.794% * 0.0046% (0.12 1.0 1.00 0.02 0.02) = 0.005% HB3 PRO 31 - HA LYS+ 108 0.794% * 0.0043% (0.11 1.0 1.00 0.02 0.02) = 0.004% HB3 PRO 31 - HA GLU- 10 0.794% * 0.0043% (0.11 1.0 1.00 0.02 0.02) = 0.004% HB2 GLU- 18 - HA GLU- 12 0.794% * 0.0043% (0.11 1.0 1.00 0.02 0.02) = 0.004% HG3 PRO 104 - HA GLU- 12 0.794% * 0.0033% (0.09 1.0 1.00 0.02 0.02) = 0.003% HB3 PRO 31 - HA SER 85 0.794% * 0.0032% (0.08 1.0 1.00 0.02 0.02) = 0.003% HB3 PRO 31 - HA ARG+ 84 0.794% * 0.0030% (0.08 1.0 1.00 0.02 0.02) = 0.003% HB3 PRO 31 - HA GLU- 56 0.794% * 0.0029% (0.08 1.0 1.00 0.02 0.02) = 0.003% HB VAL 73 - HA GLU- 12 0.794% * 0.0028% (0.07 1.0 1.00 0.02 0.02) = 0.003% HG2 PRO 116 - HA GLU- 12 0.794% * 0.0025% (0.07 1.0 1.00 0.02 0.02) = 0.003% HB3 PRO 31 - HA GLU- 12 0.794% * 0.0013% (0.03 1.0 1.00 0.02 0.02) = 0.001% Peak 1052 (1.96, 4.22, 56.81 ppm): 105 chemical-shift based assignments, quality = 0.532, support = 1.67, residual support = 4.18: T HB3 GLU- 109 - HA LYS+ 108 0.952% * 36.5723% (0.60 1.0 10.00 2.18 4.63) = 36.572% kept T HB VAL 13 - HA GLU- 12 0.952% * 33.6853% (0.84 1.0 10.00 1.32 1.35) = 33.685% kept * O T HB2 GLU- 10 - HA GLU- 10 0.952% * 9.1585% (0.15 10.0 10.00 2.21 9.88) = 9.159% kept O T HB2 LYS+ 108 - HA LYS+ 108 0.952% * 7.2537% (0.12 10.0 10.00 2.39 13.55) = 7.254% kept T HB2 LYS+ 108 - HA GLU- 107 0.952% * 2.3080% (0.04 1.0 10.00 1.94 5.96) = 2.308% kept T HB2 PRO 116 - HA GLU- 12 0.952% * 1.6526% (0.21 1.0 10.00 0.26 0.02) = 1.653% kept T HB3 GLU- 109 - HA GLU- 107 0.952% * 1.4210% (0.20 1.0 10.00 0.24 0.02) = 1.421% kept HG2 PRO 112 - HA GLU- 12 0.952% * 0.6829% (0.36 1.0 1.00 0.63 0.22) = 0.683% T HB2 PRO 35 - HA GLU- 12 0.952% * 0.4853% (0.80 1.0 10.00 0.02 0.02) = 0.485% T HB3 LYS+ 55 - HA GLU- 12 0.952% * 0.3726% (0.61 1.0 10.00 0.02 0.02) = 0.373% T HB3 GLU- 109 - HA GLU- 10 0.952% * 0.3665% (0.60 1.0 10.00 0.02 0.02) = 0.366% T HB VAL 13 - HA GLU- 10 0.952% * 0.3640% (0.60 1.0 10.00 0.02 0.02) = 0.364% T HB VAL 13 - HA LYS+ 108 0.952% * 0.3633% (0.60 1.0 10.00 0.02 0.02) = 0.363% T HB2 PRO 35 - HA GLU- 10 0.952% * 0.3474% (0.57 1.0 10.00 0.02 0.02) = 0.347% T HB2 PRO 35 - HA LYS+ 108 0.952% * 0.3467% (0.57 1.0 10.00 0.02 0.02) = 0.347% T HB2 GLU- 75 - HA GLU- 12 0.952% * 0.2699% (0.44 1.0 10.00 0.02 0.02) = 0.270% T HB3 GLU- 56 - HA GLU- 12 0.952% * 0.2699% (0.44 1.0 10.00 0.02 0.02) = 0.270% T HB3 LYS+ 55 - HA GLU- 10 0.952% * 0.2667% (0.44 1.0 10.00 0.02 0.02) = 0.267% T HB3 LYS+ 55 - HA LYS+ 108 0.952% * 0.2662% (0.44 1.0 10.00 0.02 0.02) = 0.266% T HB2 GLU- 75 - HA GLU- 10 0.952% * 0.1932% (0.32 1.0 10.00 0.02 0.02) = 0.193% T HB3 GLU- 56 - HA GLU- 10 0.952% * 0.1932% (0.32 1.0 10.00 0.02 0.02) = 0.193% T HB2 GLU- 75 - HA LYS+ 108 0.952% * 0.1928% (0.32 1.0 10.00 0.02 0.02) = 0.193% T HB3 GLU- 56 - HA LYS+ 108 0.952% * 0.1928% (0.32 1.0 10.00 0.02 0.02) = 0.193% HG2 PRO 112 - HA GLU- 10 0.952% * 0.1837% (0.25 1.0 1.00 0.24 0.02) = 0.184% T HB2 GLU- 10 - HA GLU- 12 0.952% * 0.1279% (0.21 1.0 10.00 0.02 0.02) = 0.128% T HB VAL 13 - HA GLU- 107 0.952% * 0.1190% (0.20 1.0 10.00 0.02 0.02) = 0.119% T HB2 PRO 35 - HA GLU- 107 0.952% * 0.1136% (0.19 1.0 10.00 0.02 0.02) = 0.114% T HB VAL 13 - HA ASP- 82 0.952% * 0.1068% (0.18 1.0 10.00 0.02 0.02) = 0.107% T HB2 PRO 35 - HA ASP- 82 0.952% * 0.1019% (0.17 1.0 10.00 0.02 0.02) = 0.102% T HB2 LYS+ 108 - HA GLU- 12 0.952% * 0.1015% (0.17 1.0 10.00 0.02 0.02) = 0.102% T HB2 PRO 116 - HA GLU- 10 0.952% * 0.0916% (0.15 1.0 10.00 0.02 0.02) = 0.092% T HB2 GLU- 10 - HA LYS+ 108 0.952% * 0.0914% (0.15 1.0 10.00 0.02 0.02) = 0.091% T HB2 PRO 116 - HA LYS+ 108 0.952% * 0.0914% (0.15 1.0 10.00 0.02 0.02) = 0.091% T HB3 LYS+ 55 - HA GLU- 107 0.952% * 0.0872% (0.14 1.0 10.00 0.02 0.02) = 0.087% T HB VAL 73 - HA ASP- 82 0.952% * 0.0782% (0.13 1.0 10.00 0.02 0.02) = 0.078% T HB3 LYS+ 55 - HA ASP- 82 0.952% * 0.0782% (0.13 1.0 10.00 0.02 0.12) = 0.078% T HB2 LYS+ 108 - HA GLU- 10 0.952% * 0.0727% (0.12 1.0 10.00 0.02 0.02) = 0.073% T HB2 GLU- 75 - HA GLU- 107 0.952% * 0.0632% (0.10 1.0 10.00 0.02 0.02) = 0.063% T HB3 GLU- 56 - HA GLU- 107 0.952% * 0.0632% (0.10 1.0 10.00 0.02 0.02) = 0.063% T HB2 GLU- 75 - HA ASP- 82 0.952% * 0.0567% (0.09 1.0 10.00 0.02 0.02) = 0.057% T HB3 GLU- 56 - HA ASP- 82 0.952% * 0.0567% (0.09 1.0 10.00 0.02 0.02) = 0.057% HB3 GLU- 109 - HA GLU- 12 0.952% * 0.0512% (0.84 1.0 1.00 0.02 0.02) = 0.051% HG3 PRO 116 - HA GLU- 12 0.952% * 0.0503% (0.83 1.0 1.00 0.02 0.02) = 0.050% HG3 PRO 31 - HA GLU- 12 0.952% * 0.0392% (0.65 1.0 1.00 0.02 0.02) = 0.039% HB VAL 73 - HA GLU- 12 0.952% * 0.0373% (0.61 1.0 1.00 0.02 0.02) = 0.037% T HB2 PRO 86 - HA ASP- 82 0.952% * 0.0368% (0.06 1.0 10.00 0.02 0.02) = 0.037% HG3 PRO 116 - HA GLU- 10 0.952% * 0.0360% (0.59 1.0 1.00 0.02 0.02) = 0.036% HG3 PRO 116 - HA LYS+ 108 0.952% * 0.0359% (0.59 1.0 1.00 0.02 0.02) = 0.036% HG3 PRO 104 - HA GLU- 12 0.952% * 0.0332% (0.55 1.0 1.00 0.02 0.02) = 0.033% T HB3 GLU- 109 - HA ASN 119 0.952% * 0.0305% (0.05 1.0 10.00 0.02 0.02) = 0.030% T HB VAL 13 - HA ASN 119 0.952% * 0.0303% (0.05 1.0 10.00 0.02 0.34) = 0.030% T HB2 GLU- 10 - HA GLU- 107 0.952% * 0.0299% (0.05 1.0 10.00 0.02 0.02) = 0.030% T HB2 PRO 116 - HA GLU- 107 0.952% * 0.0299% (0.05 1.0 10.00 0.02 0.02) = 0.030% T HB2 PRO 35 - HA ASN 119 0.952% * 0.0289% (0.05 1.0 10.00 0.02 0.02) = 0.029% HG3 PRO 31 - HA GLU- 10 0.952% * 0.0281% (0.46 1.0 1.00 0.02 0.02) = 0.028% HG3 PRO 31 - HA LYS+ 108 0.952% * 0.0280% (0.46 1.0 1.00 0.02 0.02) = 0.028% HG2 PRO 112 - HA ASP- 82 0.952% * 0.0272% (0.07 1.0 1.00 0.12 0.02) = 0.027% T HB2 GLU- 10 - HA ASP- 82 0.952% * 0.0269% (0.04 1.0 10.00 0.02 0.02) = 0.027% T HB2 PRO 116 - HA ASP- 82 0.952% * 0.0269% (0.04 1.0 10.00 0.02 0.02) = 0.027% HB VAL 73 - HA GLU- 10 0.952% * 0.0267% (0.44 1.0 1.00 0.02 0.02) = 0.027% HB VAL 73 - HA LYS+ 108 0.952% * 0.0266% (0.44 1.0 1.00 0.02 0.02) = 0.027% HG3 PRO 104 - HA GLU- 10 0.952% * 0.0238% (0.39 1.0 1.00 0.02 0.02) = 0.024% HG3 PRO 104 - HA LYS+ 108 0.952% * 0.0237% (0.39 1.0 1.00 0.02 0.02) = 0.024% T HB3 LYS+ 55 - HA ASN 119 0.952% * 0.0222% (0.04 1.0 10.00 0.02 0.02) = 0.022% T HB3 GLU- 109 - HA ASN 76 0.952% * 0.0215% (0.04 1.0 10.00 0.02 0.02) = 0.022% T HB VAL 13 - HA ASN 76 0.952% * 0.0214% (0.04 1.0 10.00 0.02 0.02) = 0.021% T HB2 LYS+ 108 - HA ASP- 82 0.952% * 0.0213% (0.04 1.0 10.00 0.02 0.02) = 0.021% T HB2 PRO 35 - HA ASN 76 0.952% * 0.0204% (0.03 1.0 10.00 0.02 0.02) = 0.020% HB2 PRO 86 - HA GLU- 12 0.952% * 0.0175% (0.29 1.0 1.00 0.02 0.02) = 0.018% T HB2 GLU- 75 - HA ASN 119 0.952% * 0.0161% (0.03 1.0 10.00 0.02 0.02) = 0.016% T HB3 GLU- 56 - HA ASN 119 0.952% * 0.0161% (0.03 1.0 10.00 0.02 0.02) = 0.016% T HB3 LYS+ 55 - HA ASN 76 0.952% * 0.0157% (0.03 1.0 10.00 0.02 0.02) = 0.016% HG2 PRO 112 - HA LYS+ 108 0.952% * 0.0154% (0.25 1.0 1.00 0.02 0.02) = 0.015% HB2 PRO 86 - HA GLU- 10 0.952% * 0.0125% (0.21 1.0 1.00 0.02 0.02) = 0.013% HB2 PRO 86 - HA LYS+ 108 0.952% * 0.0125% (0.21 1.0 1.00 0.02 0.02) = 0.013% HG3 PRO 116 - HA GLU- 107 0.952% * 0.0118% (0.19 1.0 1.00 0.02 0.02) = 0.012% T HB2 GLU- 75 - HA ASN 76 0.952% * 0.0114% (0.02 1.0 10.00 0.02 0.02) = 0.011% T HB3 GLU- 56 - HA ASN 76 0.952% * 0.0114% (0.02 1.0 10.00 0.02 0.02) = 0.011% HB3 GLU- 109 - HA ASP- 82 0.952% * 0.0108% (0.18 1.0 1.00 0.02 0.02) = 0.011% HG3 PRO 116 - HA ASP- 82 0.952% * 0.0106% (0.17 1.0 1.00 0.02 0.02) = 0.011% HG3 PRO 31 - HA GLU- 107 0.952% * 0.0092% (0.15 1.0 1.00 0.02 0.02) = 0.009% HB VAL 73 - HA GLU- 107 0.952% * 0.0087% (0.14 1.0 1.00 0.02 0.12) = 0.009% HG2 PRO 112 - HA ASN 76 0.952% * 0.0085% (0.01 1.0 1.00 0.19 0.02) = 0.009% HG3 PRO 31 - HA ASP- 82 0.952% * 0.0082% (0.14 1.0 1.00 0.02 0.02) = 0.008% HG3 PRO 104 - HA GLU- 107 0.952% * 0.0078% (0.13 1.0 1.00 0.02 0.02) = 0.008% T HB2 PRO 116 - HA ASN 119 0.952% * 0.0076% (0.01 1.0 10.00 0.02 0.02) = 0.008% T HB2 GLU- 10 - HA ASN 119 0.952% * 0.0076% (0.01 1.0 10.00 0.02 0.02) = 0.008% HG3 PRO 104 - HA ASP- 82 0.952% * 0.0070% (0.11 1.0 1.00 0.02 0.02) = 0.007% T HB2 LYS+ 108 - HA ASN 119 0.952% * 0.0060% (0.01 1.0 10.00 0.02 0.02) = 0.006% T HB2 GLU- 10 - HA ASN 76 0.952% * 0.0054% (0.01 1.0 10.00 0.02 0.02) = 0.005% T HB2 PRO 116 - HA ASN 76 0.952% * 0.0054% (0.01 1.0 10.00 0.02 0.02) = 0.005% HG2 PRO 112 - HA GLU- 107 0.952% * 0.0050% (0.08 1.0 1.00 0.02 0.02) = 0.005% T HB2 LYS+ 108 - HA ASN 76 0.952% * 0.0043% (0.01 1.0 10.00 0.02 0.02) = 0.004% HB2 PRO 86 - HA GLU- 107 0.952% * 0.0041% (0.07 1.0 1.00 0.02 0.02) = 0.004% HG3 PRO 116 - HA ASN 119 0.952% * 0.0030% (0.05 1.0 1.00 0.02 0.02) = 0.003% HG3 PRO 31 - HA ASN 119 0.952% * 0.0023% (0.04 1.0 1.00 0.02 0.02) = 0.002% HB VAL 73 - HA ASN 119 0.952% * 0.0022% (0.04 1.0 1.00 0.02 0.02) = 0.002% HG3 PRO 116 - HA ASN 76 0.952% * 0.0021% (0.03 1.0 1.00 0.02 0.02) = 0.002% HG3 PRO 104 - HA ASN 119 0.952% * 0.0020% (0.03 1.0 1.00 0.02 0.02) = 0.002% HG3 PRO 31 - HA ASN 76 0.952% * 0.0017% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB VAL 73 - HA ASN 76 0.952% * 0.0016% (0.03 1.0 1.00 0.02 0.02) = 0.002% HG3 PRO 104 - HA ASN 76 0.952% * 0.0014% (0.02 1.0 1.00 0.02 0.02) = 0.001% HG2 PRO 112 - HA ASN 119 0.952% * 0.0013% (0.02 1.0 1.00 0.02 0.02) = 0.001% HB2 PRO 86 - HA ASN 119 0.952% * 0.0010% (0.02 1.0 1.00 0.02 0.02) = 0.001% HB2 PRO 86 - HA ASN 76 0.952% * 0.0007% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 1053 (1.40, 4.21, 56.79 ppm): 84 chemical-shift based assignments, quality = 0.393, support = 0.43, residual support = 0.0622: HG13 ILE 100 - HA LYS+ 108 1.190% * 27.7297% (0.46 0.77 0.02) = 27.730% kept QB ALA 93 - HA GLU- 12 1.190% * 24.3089% (0.77 0.41 0.13) = 24.309% kept QB ALA 91 - HA GLU- 12 1.190% * 7.2481% (0.22 0.42 0.14) = 7.248% kept QB ALA 93 - HA ASP- 82 1.190% * 6.9744% (0.17 0.54 0.16) = 6.974% kept HD3 LYS+ 44 - HA LYS+ 108 1.190% * 5.5277% (0.18 0.39 0.02) = 5.528% kept HD3 LYS+ 44 - HA GLU- 10 1.190% * 4.4438% (0.18 0.32 0.02) = 4.444% kept QG2 THR 38 - HA LYS+ 108 1.190% * 2.8884% (0.11 0.35 0.02) = 2.888% kept HG13 ILE 100 - HA ASP- 82 1.190% * 1.8079% (0.17 0.14 0.02) = 1.808% kept HG13 ILE 100 - HA GLU- 12 1.190% * 1.1901% (0.77 0.02 0.02) = 1.190% kept HD3 LYS+ 20 - HA GLU- 12 1.190% * 1.1666% (0.75 0.02 0.02) = 1.167% kept HG LEU 67 - HA GLU- 12 1.190% * 1.1666% (0.75 0.02 0.02) = 1.167% kept QB ALA 37 - HA GLU- 12 1.190% * 0.9875% (0.64 0.02 0.02) = 0.987% QB ALA 93 - HA GLU- 10 1.190% * 0.7229% (0.47 0.02 0.02) = 0.723% HG13 ILE 100 - HA GLU- 10 1.190% * 0.7229% (0.47 0.02 0.02) = 0.723% QB ALA 93 - HA LYS+ 108 1.190% * 0.7201% (0.46 0.02 0.02) = 0.720% HD3 LYS+ 20 - HA GLU- 10 1.190% * 0.7086% (0.46 0.02 0.02) = 0.709% HG LEU 67 - HA GLU- 10 1.190% * 0.7086% (0.46 0.02 0.02) = 0.709% HD3 LYS+ 20 - HA LYS+ 108 1.190% * 0.7059% (0.45 0.02 0.02) = 0.706% HG LEU 67 - HA LYS+ 108 1.190% * 0.7059% (0.45 0.02 0.02) = 0.706% HG13 ILE 68 - HA GLU- 12 1.190% * 0.6982% (0.45 0.02 0.02) = 0.698% QB ALA 37 - HA GLU- 10 1.190% * 0.5998% (0.39 0.02 0.02) = 0.600% QB ALA 37 - HA LYS+ 108 1.190% * 0.5975% (0.38 0.02 0.02) = 0.598% QG2 THR 39 - HA GLU- 12 1.190% * 0.4628% (0.30 0.02 0.02) = 0.463% HD3 LYS+ 44 - HA GLU- 12 1.190% * 0.4628% (0.30 0.02 0.02) = 0.463% HG13 ILE 68 - HA GLU- 10 1.190% * 0.4241% (0.27 0.02 0.02) = 0.424% HG13 ILE 68 - HA LYS+ 108 1.190% * 0.4225% (0.27 0.02 0.02) = 0.422% QG2 THR 39 - HA GLU- 10 1.190% * 0.2811% (0.18 0.02 0.02) = 0.281% QG2 THR 39 - HA LYS+ 108 1.190% * 0.2801% (0.18 0.02 0.02) = 0.280% HG2 LYS+ 78 - HA GLU- 12 1.190% * 0.2746% (0.18 0.02 0.02) = 0.275% QG2 THR 38 - HA GLU- 12 1.190% * 0.2746% (0.18 0.02 0.02) = 0.275% HD3 LYS+ 20 - HA ASP- 82 1.190% * 0.2543% (0.16 0.02 0.02) = 0.254% HG LEU 67 - HA ASP- 82 1.190% * 0.2543% (0.16 0.02 0.02) = 0.254% QB ALA 37 - HA ASP- 82 1.190% * 0.2153% (0.14 0.02 0.02) = 0.215% QB ALA 91 - HA GLU- 10 1.190% * 0.2083% (0.13 0.02 0.02) = 0.208% QB ALA 91 - HA LYS+ 108 1.190% * 0.2075% (0.13 0.02 0.02) = 0.207% QB ALA 93 - HA GLU- 107 1.190% * 0.2028% (0.13 0.02 0.02) = 0.203% HG13 ILE 100 - HA GLU- 107 1.190% * 0.2028% (0.13 0.02 0.02) = 0.203% HD3 LYS+ 20 - HA GLU- 107 1.190% * 0.1988% (0.13 0.02 0.02) = 0.199% HG LEU 67 - HA GLU- 107 1.190% * 0.1988% (0.13 0.02 0.02) = 0.199% HD3 LYS+ 113 - HA GLU- 12 1.190% * 0.1903% (0.12 0.02 0.02) = 0.190% QB ALA 37 - HA GLU- 107 1.190% * 0.1682% (0.11 0.02 0.02) = 0.168% HG2 LYS+ 78 - HA GLU- 10 1.190% * 0.1668% (0.11 0.02 0.02) = 0.167% QG2 THR 38 - HA GLU- 10 1.190% * 0.1668% (0.11 0.02 0.02) = 0.167% HG2 LYS+ 78 - HA LYS+ 108 1.190% * 0.1661% (0.11 0.02 0.02) = 0.166% HG13 ILE 68 - HA ASP- 82 1.190% * 0.1522% (0.10 0.02 0.02) = 0.152% HG13 ILE 68 - HA GLU- 107 1.190% * 0.1190% (0.08 0.02 0.02) = 0.119% HD3 LYS+ 113 - HA GLU- 10 1.190% * 0.1156% (0.07 0.02 0.02) = 0.116% HD3 LYS+ 113 - HA LYS+ 108 1.190% * 0.1151% (0.07 0.02 0.02) = 0.115% QG2 THR 39 - HA ASP- 82 1.190% * 0.1009% (0.06 0.02 0.02) = 0.101% HD3 LYS+ 44 - HA ASP- 82 1.190% * 0.1009% (0.06 0.02 0.02) = 0.101% QG2 THR 39 - HA GLU- 107 1.190% * 0.0789% (0.05 0.02 0.02) = 0.079% HD3 LYS+ 44 - HA GLU- 107 1.190% * 0.0789% (0.05 0.02 0.02) = 0.079% QB ALA 91 - HA ASP- 82 1.190% * 0.0748% (0.05 0.02 0.02) = 0.075% HG2 LYS+ 78 - HA ASP- 82 1.190% * 0.0599% (0.04 0.02 0.92) = 0.060% QG2 THR 38 - HA ASP- 82 1.190% * 0.0599% (0.04 0.02 0.02) = 0.060% QB ALA 91 - HA GLU- 107 1.190% * 0.0584% (0.04 0.02 0.02) = 0.058% QB ALA 93 - HA ASN 119 1.190% * 0.0578% (0.04 0.02 0.02) = 0.058% HG13 ILE 100 - HA ASN 119 1.190% * 0.0578% (0.04 0.02 0.02) = 0.058% HD3 LYS+ 20 - HA ASN 119 1.190% * 0.0567% (0.04 0.02 0.12) = 0.057% HG LEU 67 - HA ASN 119 1.190% * 0.0567% (0.04 0.02 0.02) = 0.057% QB ALA 37 - HA ASN 119 1.190% * 0.0480% (0.03 0.02 0.02) = 0.048% HG2 LYS+ 78 - HA GLU- 107 1.190% * 0.0468% (0.03 0.02 0.02) = 0.047% QG2 THR 38 - HA GLU- 107 1.190% * 0.0468% (0.03 0.02 0.02) = 0.047% QB ALA 93 - HA ASN 76 1.190% * 0.0420% (0.03 0.02 0.02) = 0.042% HG13 ILE 100 - HA ASN 76 1.190% * 0.0420% (0.03 0.02 0.02) = 0.042% HD3 LYS+ 113 - HA ASP- 82 1.190% * 0.0415% (0.03 0.02 0.02) = 0.041% HD3 LYS+ 20 - HA ASN 76 1.190% * 0.0412% (0.03 0.02 0.02) = 0.041% HG LEU 67 - HA ASN 76 1.190% * 0.0412% (0.03 0.02 0.02) = 0.041% QB ALA 37 - HA ASN 76 1.190% * 0.0348% (0.02 0.02 0.02) = 0.035% HG13 ILE 68 - HA ASN 119 1.190% * 0.0339% (0.02 0.02 0.54) = 0.034% HD3 LYS+ 113 - HA GLU- 107 1.190% * 0.0324% (0.02 0.02 0.02) = 0.032% HG13 ILE 68 - HA ASN 76 1.190% * 0.0246% (0.02 0.02 0.02) = 0.025% QG2 THR 39 - HA ASN 119 1.190% * 0.0225% (0.01 0.02 0.02) = 0.022% HD3 LYS+ 44 - HA ASN 119 1.190% * 0.0225% (0.01 0.02 0.02) = 0.022% QB ALA 91 - HA ASN 119 1.190% * 0.0167% (0.01 0.02 0.02) = 0.017% QG2 THR 39 - HA ASN 76 1.190% * 0.0163% (0.01 0.02 0.02) = 0.016% HD3 LYS+ 44 - HA ASN 76 1.190% * 0.0163% (0.01 0.02 0.02) = 0.016% HG2 LYS+ 78 - HA ASN 119 1.190% * 0.0133% (0.01 0.02 0.02) = 0.013% QG2 THR 38 - HA ASN 119 1.190% * 0.0133% (0.01 0.02 0.02) = 0.013% QB ALA 91 - HA ASN 76 1.190% * 0.0121% (0.01 0.02 0.02) = 0.012% HG2 LYS+ 78 - HA ASN 76 1.190% * 0.0097% (0.01 0.02 0.02) = 0.010% QG2 THR 38 - HA ASN 76 1.190% * 0.0097% (0.01 0.02 0.02) = 0.010% HD3 LYS+ 113 - HA ASN 119 1.190% * 0.0092% (0.01 0.02 0.02) = 0.009% HD3 LYS+ 113 - HA ASN 76 1.190% * 0.0067% (0.00 0.02 0.02) = 0.007% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 1054 (0.89, 4.23, 56.68 ppm): 72 chemical-shift based assignments, quality = 0.137, support = 0.842, residual support = 0.875: QG2 VAL 40 - HA ASN 76 1.389% * 25.0871% (0.17 1.70 2.12) = 25.087% kept QG2 VAL 40 - HA ASN 119 1.389% * 20.0350% (0.21 1.10 1.33) = 20.035% kept QG2 VAL 40 - HA GLU- 75 1.389% * 7.6745% (0.05 1.73 0.87) = 7.675% kept HG3 LYS+ 117 - HA GLU- 12 1.389% * 5.7291% (0.25 0.26 0.02) = 5.729% kept QD1 LEU 67 - HA ASN 119 1.389% * 3.9486% (0.17 0.26 0.02) = 3.949% kept QG1 VAL 47 - HA GLU- 75 1.389% * 2.0948% (0.05 0.52 0.02) = 2.095% kept QD1 LEU 67 - HA GLU- 107 1.389% * 2.0037% (0.23 0.10 0.02) = 2.004% kept QD1 LEU 67 - HA GLU- 75 1.389% * 1.9354% (0.04 0.53 0.26) = 1.935% kept QG2 ILE 100 - HA LYS+ 108 1.389% * 1.9195% (0.16 0.14 0.02) = 1.919% kept HG3 LYS+ 117 - HA GLU- 75 1.389% * 1.3056% (0.04 0.41 0.02) = 1.306% kept QG2 VAL 125 - HA ASN 76 1.389% * 1.2001% (0.17 0.08 0.02) = 1.200% kept QG1 VAL 80 - HA GLU- 10 1.389% * 1.1577% (0.66 0.02 0.02) = 1.158% kept QG2 VAL 125 - HA GLU- 75 1.389% * 1.1389% (0.05 0.26 0.02) = 1.139% kept QG1 VAL 80 - HA LYS+ 108 1.389% * 1.1363% (0.64 0.02 0.02) = 1.136% kept QG1 VAL 47 - HA ASN 76 1.389% * 1.0603% (0.15 0.08 0.02) = 1.060% kept QG2 VAL 125 - HA GLU- 10 1.389% * 0.9670% (0.55 0.02 0.02) = 0.967% QG2 VAL 87 - HA GLU- 10 1.389% * 0.9670% (0.55 0.02 0.02) = 0.967% QG2 VAL 40 - HA GLU- 10 1.389% * 0.9670% (0.55 0.02 0.02) = 0.967% QG2 VAL 87 - HA LYS+ 108 1.389% * 0.9491% (0.54 0.02 0.02) = 0.949% QG2 VAL 125 - HA LYS+ 108 1.389% * 0.9491% (0.54 0.02 0.02) = 0.949% QG2 VAL 40 - HA LYS+ 108 1.389% * 0.9491% (0.54 0.02 0.02) = 0.949% QG1 VAL 47 - HA GLU- 10 1.389% * 0.8848% (0.50 0.02 0.02) = 0.885% QG1 VAL 47 - HA LYS+ 108 1.389% * 0.8684% (0.49 0.02 0.02) = 0.868% QD1 LEU 67 - HA GLU- 10 1.389% * 0.7952% (0.45 0.02 0.02) = 0.795% QD1 LEU 67 - HA LYS+ 108 1.389% * 0.7805% (0.44 0.02 0.02) = 0.781% QG1 VAL 80 - HA GLU- 12 1.389% * 0.7346% (0.42 0.02 0.02) = 0.735% HG3 LYS+ 117 - HA GLU- 10 1.389% * 0.7022% (0.40 0.02 0.02) = 0.702% HG3 LYS+ 117 - HA LYS+ 108 1.389% * 0.6892% (0.39 0.02 0.02) = 0.689% QG2 VAL 87 - HA GLU- 12 1.389% * 0.6136% (0.35 0.02 0.02) = 0.614% QG2 VAL 125 - HA GLU- 12 1.389% * 0.6136% (0.35 0.02 0.02) = 0.614% QG2 VAL 40 - HA GLU- 12 1.389% * 0.6136% (0.35 0.02 0.02) = 0.614% QG1 VAL 80 - HA GLU- 107 1.389% * 0.5780% (0.33 0.02 0.02) = 0.578% QG1 VAL 47 - HA GLU- 12 1.389% * 0.5614% (0.32 0.02 0.02) = 0.561% QD1 LEU 67 - HA GLU- 12 1.389% * 0.5046% (0.29 0.02 0.02) = 0.505% QG2 VAL 87 - HA GLU- 107 1.389% * 0.4828% (0.27 0.02 0.02) = 0.483% QG2 VAL 40 - HA GLU- 107 1.389% * 0.4828% (0.27 0.02 0.02) = 0.483% QG2 VAL 125 - HA GLU- 107 1.389% * 0.4828% (0.27 0.02 0.02) = 0.483% QG1 VAL 47 - HA GLU- 107 1.389% * 0.4417% (0.25 0.02 0.02) = 0.442% QG1 VAL 80 - HA ASN 119 1.389% * 0.4345% (0.25 0.02 0.02) = 0.435% QG2 VAL 125 - HA ASN 119 1.389% * 0.3630% (0.21 0.02 0.02) = 0.363% QG2 VAL 87 - HA ASN 119 1.389% * 0.3630% (0.21 0.02 0.02) = 0.363% QG1 VAL 80 - HA ASN 76 1.389% * 0.3535% (0.20 0.02 0.02) = 0.354% HG3 LYS+ 117 - HA GLU- 107 1.389% * 0.3506% (0.20 0.02 0.02) = 0.351% QG1 VAL 47 - HA ASN 119 1.389% * 0.3321% (0.19 0.02 0.26) = 0.332% QG2 VAL 87 - HA ASN 76 1.389% * 0.2953% (0.17 0.02 0.02) = 0.295% QG2 ILE 100 - HA GLU- 10 1.389% * 0.2887% (0.16 0.02 0.02) = 0.289% HG3 LYS+ 117 - HA ASN 119 1.389% * 0.2636% (0.15 0.02 0.02) = 0.264% QD1 LEU 90 - HA GLU- 10 1.389% * 0.2577% (0.15 0.02 0.02) = 0.258% QD1 LEU 90 - HA LYS+ 108 1.389% * 0.2530% (0.14 0.02 0.02) = 0.253% QD1 LEU 67 - HA ASN 76 1.389% * 0.2428% (0.14 0.02 0.02) = 0.243% HG3 LYS+ 117 - HA ASN 76 1.389% * 0.2144% (0.12 0.02 0.02) = 0.214% QG2 ILE 100 - HA GLU- 12 1.389% * 0.1832% (0.10 0.02 0.02) = 0.183% QD1 LEU 90 - HA GLU- 12 1.389% * 0.1635% (0.09 0.02 0.02) = 0.164% QG2 ILE 100 - HA GLU- 107 1.389% * 0.1441% (0.08 0.02 0.02) = 0.144% QD1 LEU 90 - HA GLU- 107 1.389% * 0.1287% (0.07 0.02 0.02) = 0.129% QG1 VAL 80 - HA GLU- 64 1.389% * 0.1238% (0.07 0.02 0.02) = 0.124% QG2 ILE 100 - HA ASN 119 1.389% * 0.1084% (0.06 0.02 0.02) = 0.108% QG1 VAL 80 - HA GLU- 75 1.389% * 0.1061% (0.06 0.02 0.02) = 0.106% QG2 VAL 40 - HA GLU- 64 1.389% * 0.1034% (0.06 0.02 0.02) = 0.103% QG2 VAL 87 - HA GLU- 64 1.389% * 0.1034% (0.06 0.02 0.02) = 0.103% QG2 VAL 125 - HA GLU- 64 1.389% * 0.1034% (0.06 0.02 0.02) = 0.103% QD1 LEU 90 - HA ASN 119 1.389% * 0.0967% (0.05 0.02 0.02) = 0.097% QG1 VAL 47 - HA GLU- 64 1.389% * 0.0946% (0.05 0.02 0.02) = 0.095% QG2 VAL 87 - HA GLU- 75 1.389% * 0.0886% (0.05 0.02 0.02) = 0.089% QG2 ILE 100 - HA ASN 76 1.389% * 0.0882% (0.05 0.02 0.02) = 0.088% QD1 LEU 67 - HA GLU- 64 1.389% * 0.0850% (0.05 0.02 0.16) = 0.085% QD1 LEU 90 - HA ASN 76 1.389% * 0.0787% (0.04 0.02 0.02) = 0.079% HG3 LYS+ 117 - HA GLU- 64 1.389% * 0.0751% (0.04 0.02 0.02) = 0.075% QG2 ILE 100 - HA GLU- 64 1.389% * 0.0309% (0.02 0.02 0.02) = 0.031% QD1 LEU 90 - HA GLU- 64 1.389% * 0.0276% (0.02 0.02 0.02) = 0.028% QG2 ILE 100 - HA GLU- 75 1.389% * 0.0265% (0.01 0.02 0.02) = 0.026% QD1 LEU 90 - HA GLU- 75 1.389% * 0.0236% (0.01 0.02 0.39) = 0.024% Not enough quality. Peak unassigned. Peak 1056 (8.09, 3.94, 56.35 ppm): 7 chemical-shift based assignments, quality = 0.695, support = 4.14, residual support = 26.1: * O HN GLU- 75 - HA LEU 74 14.286% * 93.5908% (0.69 10.0 4.38 27.89) = 93.591% kept HN CYS 121 - HA LEU 74 14.286% * 3.9533% (0.76 1.0 0.77 0.02) = 3.953% kept HN VAL 122 - HA LEU 74 14.286% * 2.2806% (0.88 1.0 0.38 0.02) = 2.281% kept HN LYS+ 110 - HA LEU 74 14.286% * 0.1032% (0.76 1.0 0.02 0.02) = 0.103% HN SER 88 - HA LEU 74 14.286% * 0.0321% (0.24 1.0 0.02 0.02) = 0.032% HN MET 118 - HA LEU 74 14.286% * 0.0226% (0.17 1.0 0.02 0.02) = 0.023% HN GLY 26 - HA LEU 74 14.286% * 0.0174% (0.13 1.0 0.02 0.02) = 0.017% Peak 1087 (3.94, 3.94, 56.31 ppm): 1 diagonal assignment: * HA LEU 74 - HA LEU 74 (0.95) kept Peak 1088 (3.71, 4.36, 56.50 ppm): 6 chemical-shift based assignments, quality = 0.646, support = 3.15, residual support = 42.9: * O T HB2 TRP 51 - HA TRP 51 16.667% * 98.6942% (0.65 10.0 10.00 3.19 43.48) = 98.694% kept T HB2 TRP 51 - HA LYS+ 60 16.667% * 0.8901% (0.59 1.0 10.00 0.02 0.02) = 0.890% HB3 SER 69 - HA TRP 51 16.667% * 0.1135% (0.75 1.0 1.00 0.02 0.02) = 0.114% HA LYS+ 81 - HA TRP 51 16.667% * 0.1050% (0.70 1.0 1.00 0.02 0.02) = 0.105% HB3 SER 69 - HA LYS+ 60 16.667% * 0.1024% (0.68 1.0 1.00 0.02 0.02) = 0.102% HA LYS+ 81 - HA LYS+ 60 16.667% * 0.0947% (0.63 1.0 1.00 0.02 0.13) = 0.095% Peak 1090 (3.28, 4.35, 56.42 ppm): 8 chemical-shift based assignments, quality = 0.473, support = 3.11, residual support = 16.2: O T HD2 PRO 52 - HA TRP 51 12.500% * 95.9836% (0.48 10.0 10.00 3.23 16.86) = 95.984% kept HD3 ARG+ 53 - HA TRP 51 12.500% * 2.5309% (0.45 1.0 1.00 0.57 0.02) = 2.531% kept T HD2 PRO 52 - HA LYS+ 60 12.500% * 0.9923% (0.50 1.0 10.00 0.02 0.02) = 0.992% HE3 LYS+ 63 - HA LYS+ 60 12.500% * 0.1019% (0.51 1.0 1.00 0.02 1.04) = 0.102% HD3 ARG+ 22 - HA LYS+ 60 12.500% * 0.1019% (0.51 1.0 1.00 0.02 0.02) = 0.102% HE3 LYS+ 63 - HA TRP 51 12.500% * 0.0986% (0.49 1.0 1.00 0.02 0.02) = 0.099% HD3 ARG+ 22 - HA TRP 51 12.500% * 0.0986% (0.49 1.0 1.00 0.02 0.02) = 0.099% HD3 ARG+ 53 - HA LYS+ 60 12.500% * 0.0922% (0.46 1.0 1.00 0.02 0.02) = 0.092% Peak 1091 (2.88, 4.24, 56.44 ppm): 14 chemical-shift based assignments, quality = 0.143, support = 0.02, residual support = 0.107: HB3 ASN 57 - HA ASN 76 7.143% * 18.2512% (0.22 0.02 0.02) = 18.251% kept HB3 ASN 57 - HA ASN 119 7.143% * 17.3553% (0.21 0.02 0.02) = 17.355% kept HE3 LYS+ 81 - HA ASN 76 7.143% * 14.6144% (0.17 0.02 0.02) = 14.614% kept HE3 LYS+ 81 - HA ASN 119 7.143% * 13.8970% (0.17 0.02 0.02) = 13.897% kept HB3 ASN 57 - HA GLU- 109 7.143% * 7.5029% (0.09 0.02 0.02) = 7.503% kept HE3 LYS+ 81 - HA GLU- 109 7.143% * 6.0079% (0.07 0.02 0.02) = 6.008% kept HB3 ASN 57 - HA GLU- 10 7.143% * 3.8022% (0.05 0.02 0.02) = 3.802% kept HB3 ASN 57 - HA LYS+ 108 7.143% * 3.6242% (0.04 0.02 0.02) = 3.624% kept HB3 ASN 57 - HA GLU- 107 7.143% * 3.4282% (0.04 0.02 0.02) = 3.428% kept HE3 LYS+ 81 - HA GLU- 10 7.143% * 3.0446% (0.04 0.02 0.02) = 3.045% kept HE3 LYS+ 81 - HA LYS+ 108 7.143% * 2.9021% (0.03 0.02 0.02) = 2.902% kept HE3 LYS+ 81 - HA GLU- 107 7.143% * 2.7451% (0.03 0.02 0.02) = 2.745% kept HB3 ASN 57 - HA ARG+ 84 7.143% * 1.5687% (0.02 0.02 0.02) = 1.569% kept HE3 LYS+ 81 - HA ARG+ 84 7.143% * 1.2561% (0.01 0.02 6.94) = 1.256% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 1092 (2.48, 4.25, 56.44 ppm): 35 chemical-shift based assignments, quality = 0.622, support = 1.01, residual support = 1.45: HB VAL 40 - HA ASN 76 2.857% * 40.4857% (0.76 1.10 2.12) = 40.486% kept HB VAL 40 - HA ASN 119 2.857% * 39.2438% (0.74 1.10 1.33) = 39.244% kept HG3 GLU- 45 - HA GLU- 10 2.857% * 5.2350% (0.08 1.37 0.85) = 5.235% kept HG3 GLU- 45 - HA LYS+ 108 2.857% * 4.3988% (0.08 1.20 0.60) = 4.399% kept HG2 PRO 112 - HA ASN 76 2.857% * 3.7773% (0.42 0.19 0.02) = 3.777% kept HG2 PRO 112 - HA GLU- 10 2.857% * 0.7046% (0.06 0.24 0.02) = 0.705% HG3 PRO 35 - HA ASN 76 2.857% * 0.6333% (0.66 0.02 0.02) = 0.633% HG3 MET 118 - HA ASN 76 2.857% * 0.6333% (0.66 0.02 0.02) = 0.633% HG3 MET 118 - HA ASN 119 2.857% * 0.6107% (0.63 0.02 0.02) = 0.611% HG3 PRO 35 - HA ASN 119 2.857% * 0.6107% (0.63 0.02 0.02) = 0.611% HG3 GLU- 45 - HA ASN 76 2.857% * 0.5220% (0.54 0.02 0.02) = 0.522% HG3 GLU- 45 - HA ASN 119 2.857% * 0.5033% (0.52 0.02 0.02) = 0.503% HG2 PRO 112 - HA ASN 119 2.857% * 0.3886% (0.40 0.02 0.02) = 0.389% HB VAL 40 - HA GLU- 109 2.857% * 0.1827% (0.19 0.02 0.02) = 0.183% HG3 PRO 35 - HA GLU- 109 2.857% * 0.1567% (0.16 0.02 0.02) = 0.157% HG3 MET 118 - HA GLU- 109 2.857% * 0.1567% (0.16 0.02 0.02) = 0.157% HB VAL 40 - HA GLU- 107 2.857% * 0.1350% (0.14 0.02 0.02) = 0.135% HG3 GLU- 45 - HA GLU- 109 2.857% * 0.1292% (0.13 0.02 0.02) = 0.129% HG3 PRO 35 - HA GLU- 107 2.857% * 0.1158% (0.12 0.02 0.02) = 0.116% HG3 MET 118 - HA GLU- 107 2.857% * 0.1158% (0.12 0.02 0.02) = 0.116% HB VAL 40 - HA GLU- 10 2.857% * 0.1085% (0.11 0.02 0.02) = 0.108% HB VAL 40 - HA LYS+ 108 2.857% * 0.1033% (0.11 0.02 0.02) = 0.103% HG2 PRO 112 - HA GLU- 109 2.857% * 0.0997% (0.10 0.02 0.02) = 0.100% HG3 GLU- 45 - HA GLU- 107 2.857% * 0.0954% (0.10 0.02 0.02) = 0.095% HG3 MET 118 - HA GLU- 10 2.857% * 0.0930% (0.10 0.02 0.02) = 0.093% HG3 PRO 35 - HA GLU- 10 2.857% * 0.0930% (0.10 0.02 0.02) = 0.093% HB VAL 40 - HA ARG+ 84 2.857% * 0.0908% (0.09 0.02 0.02) = 0.091% HG3 PRO 35 - HA LYS+ 108 2.857% * 0.0886% (0.09 0.02 0.02) = 0.089% HG3 MET 118 - HA LYS+ 108 2.857% * 0.0886% (0.09 0.02 0.02) = 0.089% HG3 PRO 35 - HA ARG+ 84 2.857% * 0.0779% (0.08 0.02 0.02) = 0.078% HG3 MET 118 - HA ARG+ 84 2.857% * 0.0779% (0.08 0.02 0.02) = 0.078% HG2 PRO 112 - HA GLU- 107 2.857% * 0.0737% (0.08 0.02 0.02) = 0.074% HG3 GLU- 45 - HA ARG+ 84 2.857% * 0.0642% (0.07 0.02 0.02) = 0.064% HG2 PRO 112 - HA LYS+ 108 2.857% * 0.0564% (0.06 0.02 0.02) = 0.056% HG2 PRO 112 - HA ARG+ 84 2.857% * 0.0496% (0.05 0.02 0.02) = 0.050% Peak 1093 (1.85, 4.28, 56.51 ppm): 44 chemical-shift based assignments, quality = 0.225, support = 4.07, residual support = 74.8: * O HB3 ARG+ 84 - HA ARG+ 84 2.273% * 95.7604% (0.24 10.0 4.25 78.16) = 95.760% kept HG2 PRO 112 - HA ASN 76 2.273% * 0.2578% (0.07 1.0 0.19 0.02) = 0.258% HB VAL 94 - HA ARG+ 84 2.273% * 0.1784% (0.44 1.0 0.02 0.02) = 0.178% HB2 PRO 104 - HA ARG+ 84 2.273% * 0.1784% (0.44 1.0 0.02 0.02) = 0.178% HD2 PRO 59 - HA ARG+ 84 2.273% * 0.1757% (0.43 1.0 0.02 0.02) = 0.176% HB3 LYS+ 72 - HA ARG+ 84 2.273% * 0.1757% (0.43 1.0 0.02 0.02) = 0.176% HB3 LYS+ 60 - HA ARG+ 84 2.273% * 0.1722% (0.42 1.0 0.02 0.02) = 0.172% HB VAL 94 - HA ASN 119 2.273% * 0.1686% (0.41 1.0 0.02 0.02) = 0.169% HB2 PRO 104 - HA ASN 119 2.273% * 0.1686% (0.41 1.0 0.02 0.02) = 0.169% HB3 LYS+ 72 - HA ASN 119 2.273% * 0.1660% (0.41 1.0 0.02 0.02) = 0.166% HD2 PRO 59 - HA ASN 119 2.273% * 0.1660% (0.41 1.0 0.02 0.02) = 0.166% HB3 LYS+ 60 - HA ASN 119 2.273% * 0.1627% (0.40 1.0 0.02 0.02) = 0.163% HB VAL 94 - HA ASN 76 2.273% * 0.1463% (0.36 1.0 0.02 0.02) = 0.146% HB2 PRO 104 - HA ASN 76 2.273% * 0.1463% (0.36 1.0 0.02 0.02) = 0.146% HB3 LYS+ 72 - HA ASN 76 2.273% * 0.1441% (0.35 1.0 0.02 0.02) = 0.144% HD2 PRO 59 - HA ASN 76 2.273% * 0.1441% (0.35 1.0 0.02 0.46) = 0.144% HB3 LYS+ 60 - HA ASN 76 2.273% * 0.1412% (0.35 1.0 0.02 0.15) = 0.141% HB2 LYS+ 66 - HA ARG+ 84 2.273% * 0.1177% (0.29 1.0 0.02 0.02) = 0.118% HB2 LYS+ 66 - HA ASN 119 2.273% * 0.1113% (0.27 1.0 0.02 0.02) = 0.111% HB2 LYS+ 66 - HA ASN 76 2.273% * 0.0966% (0.24 1.0 0.02 0.02) = 0.097% HB3 ARG+ 84 - HA ASN 119 2.273% * 0.0905% (0.22 1.0 0.02 0.02) = 0.090% HD3 PRO 52 - HA ARG+ 84 2.273% * 0.0886% (0.22 1.0 0.02 0.02) = 0.089% HD3 PRO 52 - HA ASN 119 2.273% * 0.0837% (0.21 1.0 0.02 0.02) = 0.084% HB3 ARG+ 84 - HA ASN 76 2.273% * 0.0785% (0.19 1.0 0.02 0.02) = 0.079% HD3 PRO 52 - HA ASN 76 2.273% * 0.0727% (0.18 1.0 0.02 0.02) = 0.073% HB VAL 94 - HA GLU- 107 2.273% * 0.0604% (0.15 1.0 0.02 0.02) = 0.060% HB2 PRO 104 - HA GLU- 107 2.273% * 0.0604% (0.15 1.0 0.02 0.02) = 0.060% HD2 PRO 59 - HA GLU- 107 2.273% * 0.0594% (0.15 1.0 0.02 0.02) = 0.059% HB3 LYS+ 72 - HA GLU- 107 2.273% * 0.0594% (0.15 1.0 0.02 0.02) = 0.059% HB3 LYS+ 60 - HA GLU- 107 2.273% * 0.0583% (0.14 1.0 0.02 0.02) = 0.058% HB2 PRO 59 - HA ARG+ 84 2.273% * 0.0562% (0.14 1.0 0.02 0.02) = 0.056% HB2 PRO 59 - HA ASN 119 2.273% * 0.0531% (0.13 1.0 0.02 0.02) = 0.053% HG3 LYS+ 120 - HA ARG+ 84 2.273% * 0.0506% (0.12 1.0 0.02 0.02) = 0.051% HG3 LYS+ 120 - HA ASN 119 2.273% * 0.0478% (0.12 1.0 0.02 0.25) = 0.048% HB2 PRO 59 - HA ASN 76 2.273% * 0.0461% (0.11 1.0 0.02 0.46) = 0.046% HG3 LYS+ 120 - HA ASN 76 2.273% * 0.0415% (0.10 1.0 0.02 0.02) = 0.042% HB2 LYS+ 66 - HA GLU- 107 2.273% * 0.0398% (0.10 1.0 0.02 0.02) = 0.040% HG2 PRO 112 - HA ARG+ 84 2.273% * 0.0335% (0.08 1.0 0.02 0.02) = 0.034% HB3 ARG+ 84 - HA GLU- 107 2.273% * 0.0324% (0.08 1.0 0.02 0.02) = 0.032% HG2 PRO 112 - HA ASN 119 2.273% * 0.0317% (0.08 1.0 0.02 0.02) = 0.032% HD3 PRO 52 - HA GLU- 107 2.273% * 0.0300% (0.07 1.0 0.02 0.02) = 0.030% HB2 PRO 59 - HA GLU- 107 2.273% * 0.0190% (0.05 1.0 0.02 0.02) = 0.019% HG3 LYS+ 120 - HA GLU- 107 2.273% * 0.0171% (0.04 1.0 0.02 0.02) = 0.017% HG2 PRO 112 - HA GLU- 107 2.273% * 0.0113% (0.03 1.0 0.02 0.02) = 0.011% Peak 1094 (1.18, 3.94, 56.30 ppm): 4 chemical-shift based assignments, quality = 0.933, support = 5.95, residual support = 157.6: * O T HB2 LEU 74 - HA LEU 74 25.000% * 99.1045% (0.94 10.0 10.00 6.00 159.05) = 99.105% kept T HB2 LEU 43 - HA LEU 74 25.000% * 0.7574% (0.72 1.0 10.00 0.02 1.31) = 0.757% QG2 THR 106 - HA LEU 74 25.000% * 0.0860% (0.82 1.0 1.00 0.02 0.02) = 0.086% HG3 PRO 59 - HA LEU 74 25.000% * 0.0521% (0.50 1.0 1.00 0.02 1.54) = 0.052% Peak 1095 (0.87, 4.34, 56.53 ppm): 14 chemical-shift based assignments, quality = 0.0933, support = 1.25, residual support = 5.1: QG2 VAL 13 - HA TRP 51 7.143% * 60.3374% (0.06 1.90 8.37) = 60.337% kept QG2 VAL 40 - HA TRP 51 7.143% * 16.3864% (0.06 0.58 0.02) = 16.386% kept QG2 VAL 13 - HA LYS+ 60 7.143% * 3.7964% (0.05 0.14 0.02) = 3.796% kept QG2 ILE 100 - HA TRP 51 7.143% * 2.9653% (0.30 0.02 1.40) = 2.965% kept QD1 LEU 90 - HA TRP 51 7.143% * 2.8809% (0.29 0.02 0.02) = 2.881% kept QG2 VAL 125 - HA TRP 51 7.143% * 2.5722% (0.26 0.02 0.02) = 2.572% kept QG2 ILE 100 - HA LYS+ 60 7.143% * 2.4456% (0.25 0.02 0.02) = 2.446% kept QD1 LEU 90 - HA LYS+ 60 7.143% * 2.3759% (0.24 0.02 0.02) = 2.376% kept QG2 VAL 125 - HA LYS+ 60 7.143% * 2.1214% (0.21 0.02 0.02) = 2.121% kept QG1 VAL 80 - HA TRP 51 7.143% * 1.4402% (0.14 0.02 0.02) = 1.440% kept QG1 VAL 80 - HA LYS+ 60 7.143% * 1.1877% (0.12 0.02 0.02) = 1.188% kept QG2 VAL 87 - HA TRP 51 7.143% * 0.5626% (0.06 0.02 0.02) = 0.563% QG2 VAL 40 - HA LYS+ 60 7.143% * 0.4640% (0.05 0.02 0.02) = 0.464% QG2 VAL 87 - HA LYS+ 60 7.143% * 0.4640% (0.05 0.02 0.02) = 0.464% Peak 1096 (0.73, 4.25, 56.49 ppm): 63 chemical-shift based assignments, quality = 0.769, support = 1.12, residual support = 1.21: QG1 VAL 40 - HA ASN 76 1.587% * 33.0187% (0.88 1.59 2.12) = 33.019% kept QG1 VAL 40 - HA ASN 119 1.587% * 30.7395% (0.90 1.44 1.33) = 30.739% kept QD1 ILE 68 - HA ASN 119 1.587% * 16.1360% (0.91 0.75 0.54) = 16.136% kept HG3 LYS+ 44 - HA ASN 76 1.587% * 3.4238% (0.81 0.18 0.02) = 3.424% kept HG3 LYS+ 44 - HA LYS+ 108 1.587% * 1.9302% (0.20 0.42 0.02) = 1.930% kept QG2 ILE 101 - HA ASN 76 1.587% * 1.5935% (0.43 0.16 0.02) = 1.594% kept HG3 LYS+ 44 - HA GLU- 10 1.587% * 1.5153% (0.20 0.32 0.02) = 1.515% kept HG LEU 74 - HA GLU- 107 1.587% * 1.3067% (0.17 0.32 0.72) = 1.307% kept QG2 ILE 101 - HA GLU- 107 1.587% * 1.2073% (0.13 0.41 0.02) = 1.207% kept QG2 ILE 48 - HA ASN 76 1.587% * 1.2009% (0.58 0.09 0.02) = 1.201% kept QG2 ILE 101 - HA LYS+ 108 1.587% * 0.7881% (0.10 0.32 0.27) = 0.788% QG2 VAL 65 - HA ASN 119 1.587% * 0.4341% (0.92 0.02 0.02) = 0.434% QG2 ILE 101 - HA GLU- 109 1.587% * 0.4254% (0.08 0.22 0.02) = 0.425% QG2 VAL 65 - HA ASN 76 1.587% * 0.4240% (0.90 0.02 0.02) = 0.424% QD1 ILE 68 - HA ASN 76 1.587% * 0.4203% (0.89 0.02 0.02) = 0.420% HG3 LYS+ 66 - HA ASN 119 1.587% * 0.3893% (0.83 0.02 0.02) = 0.389% HG3 LYS+ 44 - HA ASN 119 1.587% * 0.3893% (0.83 0.02 0.02) = 0.389% HG3 LYS+ 66 - HA ASN 76 1.587% * 0.3803% (0.81 0.02 0.02) = 0.380% HG LEU 74 - HA ASN 119 1.587% * 0.2808% (0.60 0.02 0.02) = 0.281% QG2 ILE 48 - HA ASN 119 1.587% * 0.2785% (0.59 0.02 0.02) = 0.278% HG LEU 74 - HA ASN 76 1.587% * 0.2743% (0.58 0.02 0.02) = 0.274% QG2 ILE 48 - HA ARG+ 84 1.587% * 0.2305% (0.10 0.10 0.02) = 0.230% QG2 ILE 101 - HA ASN 119 1.587% * 0.2074% (0.44 0.02 0.02) = 0.207% QG2 VAL 65 - HA GLU- 107 1.587% * 0.1248% (0.26 0.02 0.02) = 0.125% QD1 ILE 68 - HA GLU- 107 1.587% * 0.1237% (0.26 0.02 0.02) = 0.124% QG1 VAL 40 - HA GLU- 107 1.587% * 0.1223% (0.26 0.02 0.02) = 0.122% HG3 LYS+ 66 - HA GLU- 107 1.587% * 0.1119% (0.24 0.02 0.02) = 0.112% HG3 LYS+ 44 - HA GLU- 107 1.587% * 0.1119% (0.24 0.02 0.02) = 0.112% QG2 VAL 65 - HA GLU- 10 1.587% * 0.1069% (0.23 0.02 0.02) = 0.107% QD1 ILE 68 - HA GLU- 10 1.587% * 0.1059% (0.22 0.02 0.02) = 0.106% QG1 VAL 40 - HA GLU- 10 1.587% * 0.1048% (0.22 0.02 0.02) = 0.105% QG2 VAL 65 - HA LYS+ 108 1.587% * 0.1025% (0.22 0.02 0.02) = 0.102% QD1 ILE 68 - HA LYS+ 108 1.587% * 0.1016% (0.22 0.02 0.02) = 0.102% QG1 VAL 40 - HA LYS+ 108 1.587% * 0.1004% (0.21 0.02 0.02) = 0.100% HG3 LYS+ 66 - HA GLU- 10 1.587% * 0.0959% (0.20 0.02 0.02) = 0.096% HG3 LYS+ 66 - HA LYS+ 108 1.587% * 0.0919% (0.20 0.02 0.02) = 0.092% QG2 THR 96 - HA ASN 119 1.587% * 0.0859% (0.18 0.02 0.02) = 0.086% QG2 THR 96 - HA ASN 76 1.587% * 0.0839% (0.18 0.02 0.02) = 0.084% QG2 VAL 65 - HA GLU- 109 1.587% * 0.0807% (0.17 0.02 0.02) = 0.081% QG2 ILE 48 - HA GLU- 107 1.587% * 0.0800% (0.17 0.02 0.02) = 0.080% QD1 ILE 68 - HA GLU- 109 1.587% * 0.0800% (0.17 0.02 0.02) = 0.080% QG1 VAL 40 - HA GLU- 109 1.587% * 0.0791% (0.17 0.02 0.02) = 0.079% QG2 VAL 65 - HA ARG+ 84 1.587% * 0.0756% (0.16 0.02 0.02) = 0.076% QD1 ILE 68 - HA ARG+ 84 1.587% * 0.0749% (0.16 0.02 0.41) = 0.075% QG1 VAL 40 - HA ARG+ 84 1.587% * 0.0741% (0.16 0.02 0.02) = 0.074% HG3 LYS+ 66 - HA GLU- 109 1.587% * 0.0724% (0.15 0.02 0.02) = 0.072% HG3 LYS+ 44 - HA GLU- 109 1.587% * 0.0724% (0.15 0.02 0.02) = 0.072% HG LEU 74 - HA GLU- 10 1.587% * 0.0691% (0.15 0.02 0.02) = 0.069% QG2 ILE 48 - HA GLU- 10 1.587% * 0.0686% (0.15 0.02 0.02) = 0.069% HG3 LYS+ 66 - HA ARG+ 84 1.587% * 0.0678% (0.14 0.02 0.02) = 0.068% HG3 LYS+ 44 - HA ARG+ 84 1.587% * 0.0678% (0.14 0.02 0.02) = 0.068% HG LEU 74 - HA LYS+ 108 1.587% * 0.0663% (0.14 0.02 0.02) = 0.066% QG2 ILE 48 - HA LYS+ 108 1.587% * 0.0657% (0.14 0.02 0.02) = 0.066% HG LEU 74 - HA GLU- 109 1.587% * 0.0522% (0.11 0.02 0.02) = 0.052% QG2 ILE 48 - HA GLU- 109 1.587% * 0.0518% (0.11 0.02 0.02) = 0.052% QG2 ILE 101 - HA GLU- 10 1.587% * 0.0511% (0.11 0.02 0.02) = 0.051% HG LEU 74 - HA ARG+ 84 1.587% * 0.0489% (0.10 0.02 0.02) = 0.049% QG2 ILE 101 - HA ARG+ 84 1.587% * 0.0361% (0.08 0.02 0.02) = 0.036% QG2 THR 96 - HA GLU- 107 1.587% * 0.0247% (0.05 0.02 0.02) = 0.025% QG2 THR 96 - HA GLU- 10 1.587% * 0.0212% (0.04 0.02 0.02) = 0.021% QG2 THR 96 - HA LYS+ 108 1.587% * 0.0203% (0.04 0.02 0.02) = 0.020% QG2 THR 96 - HA GLU- 109 1.587% * 0.0160% (0.03 0.02 0.02) = 0.016% QG2 THR 96 - HA ARG+ 84 1.587% * 0.0150% (0.03 0.02 0.02) = 0.015% Peak 1097 (0.73, 3.93, 56.31 ppm): 9 chemical-shift based assignments, quality = 0.646, support = 4.76, residual support = 129.1: * O HG LEU 74 - HA LEU 74 11.111% * 80.2841% (0.62 10.0 5.55 159.05) = 80.284% kept QG1 VAL 40 - HA LEU 74 11.111% * 12.4462% (0.89 1.0 2.15 11.48) = 12.446% kept QG2 ILE 48 - HA LEU 74 11.111% * 3.1158% (0.59 1.0 0.82 0.02) = 3.116% kept QD1 ILE 68 - HA LEU 74 11.111% * 1.5400% (0.90 1.0 0.26 1.08) = 1.540% kept QG2 ILE 101 - HA LEU 74 11.111% * 1.4571% (0.45 1.0 0.50 0.02) = 1.457% kept HG3 LYS+ 44 - HA LEU 74 11.111% * 0.9127% (0.78 1.0 0.18 0.61) = 0.913% QG2 VAL 65 - HA LEU 74 11.111% * 0.1166% (0.90 1.0 0.02 0.02) = 0.117% HG3 LYS+ 66 - HA LEU 74 11.111% * 0.1014% (0.78 1.0 0.02 0.16) = 0.101% QG2 THR 96 - HA LEU 74 11.111% * 0.0260% (0.20 1.0 0.02 0.02) = 0.026% Peak 1106 (8.97, 0.69, 14.34 ppm): 6 chemical-shift based assignments, quality = 0.812, support = 4.93, residual support = 56.3: * HN ILE 19 - QD1 ILE 19 16.667% * 53.8323% (0.99 6.69 96.68) = 53.832% kept HN MET 97 - QD1 ILE 19 16.667% * 18.1522% (0.83 2.69 8.12) = 18.152% kept HN LEU 17 - QD1 ILE 19 16.667% * 16.8278% (0.64 3.22 13.76) = 16.828% kept HN THR 96 - QD1 ILE 19 16.667% * 5.4154% (0.20 3.39 5.73) = 5.415% kept HN ARG+ 22 - QD1 ILE 19 16.667% * 2.9046% (0.25 1.44 1.47) = 2.905% kept HN PHE 21 - QD1 ILE 19 16.667% * 2.8677% (0.13 2.63 4.21) = 2.868% kept Peak 1107 (8.86, 0.73, 14.31 ppm): 2 chemical-shift based assignments, quality = 0.399, support = 5.79, residual support = 86.3: * HN ILE 68 - QD1 ILE 68 50.000% * 92.9898% (0.41 6.14 92.71) = 92.990% kept HN ASP- 36 - QD1 ILE 68 50.000% * 7.0102% (0.19 1.02 0.69) = 7.010% kept Peak 1108 (7.34, 0.69, 14.34 ppm): 7 chemical-shift based assignments, quality = 0.836, support = 3.63, residual support = 19.9: HZ PHE 34 - QD1 ILE 19 14.286% * 33.8125% (0.95 3.75 22.00) = 33.812% kept QE PHE 34 - QD1 ILE 19 14.286% * 31.1619% (0.95 3.46 22.00) = 31.162% kept * QD PHE 34 - QD1 ILE 19 14.286% * 25.4131% (0.56 4.80 22.00) = 25.413% kept HZ2 TRP 51 - QD1 ILE 19 14.286% * 7.6845% (0.95 0.85 0.48) = 7.685% kept HN VAL 47 - QD1 ILE 19 14.286% * 0.9783% (0.48 0.22 0.02) = 0.978% HN ARG+ 84 - QD1 ILE 19 14.286% * 0.9171% (0.44 0.22 0.02) = 0.917% HE22 GLN 102 - QD1 ILE 19 14.286% * 0.0327% (0.17 0.02 0.02) = 0.033% Peak 1110 (4.99, 0.73, 14.26 ppm): 4 chemical-shift based assignments, quality = 0.479, support = 3.72, residual support = 53.9: * HA ILE 68 - QD1 ILE 68 25.000% * 53.6800% (0.44 4.90 92.71) = 53.680% kept HA SER 69 - QD1 ILE 68 25.000% * 37.8193% (0.57 2.66 10.87) = 37.819% kept HA MET 97 - QD1 ILE 68 25.000% * 8.2612% (0.33 1.02 0.46) = 8.261% kept HA PRO 31 - QD1 ILE 68 25.000% * 0.2395% (0.48 0.02 0.02) = 0.239% Peak 1111 (4.88, 0.69, 14.32 ppm): 6 chemical-shift based assignments, quality = 0.924, support = 6.18, residual support = 90.4: * HA ILE 19 - QD1 ILE 19 16.667% * 93.1016% (0.98 6.45 96.68) = 93.102% kept HA THR 96 - QD1 ILE 19 16.667% * 6.7630% (0.17 2.65 5.73) = 6.763% kept HA ASP- 115 - QD1 ILE 19 16.667% * 0.1094% (0.37 0.02 0.02) = 0.109% HA ILE 19 - QD1 ILE 68 16.667% * 0.0167% (0.06 0.02 0.02) = 0.017% HA ASP- 115 - QD1 ILE 68 16.667% * 0.0063% (0.02 0.02 0.02) = 0.006% HA THR 96 - QD1 ILE 68 16.667% * 0.0030% (0.01 0.02 0.02) = 0.003% Peak 1112 (4.18, 0.73, 14.30 ppm): 7 chemical-shift based assignments, quality = 0.401, support = 1.23, residual support = 1.57: * T HA VAL 73 - QD1 ILE 68 14.286% * 33.5835% (0.44 10.00 1.45 1.95) = 33.584% kept T HB3 SER 49 - QD1 ILE 68 14.286% * 27.6149% (0.40 10.00 1.29 1.95) = 27.615% kept T HA VAL 65 - QD1 ILE 68 14.286% * 25.5376% (0.43 10.00 1.13 1.17) = 25.538% kept T HA VAL 105 - QD1 ILE 68 14.286% * 12.2768% (0.29 10.00 0.81 0.60) = 12.277% kept HB THR 106 - QD1 ILE 68 14.286% * 0.8498% (0.29 1.00 0.56 0.02) = 0.850% T HA VAL 87 - QD1 ILE 68 14.286% * 0.1302% (0.12 10.00 0.02 0.02) = 0.130% HA ASP- 82 - QD1 ILE 68 14.286% * 0.0072% (0.07 1.00 0.02 0.02) = 0.007% Peak 1113 (2.88, 0.73, 14.31 ppm): 2 chemical-shift based assignments, quality = 0.0754, support = 0.02, residual support = 0.02: HB3 ASN 57 - QD1 ILE 68 50.000% * 56.1903% (0.08 0.02 0.02) = 56.190% kept HE3 LYS+ 81 - QD1 ILE 68 50.000% * 43.8097% (0.07 0.02 0.02) = 43.810% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 1114 (1.67, 0.69, 14.35 ppm): 10 chemical-shift based assignments, quality = 0.662, support = 4.81, residual support = 77.7: * O T HG13 ILE 19 - QD1 ILE 19 10.000% * 79.0540% (0.64 10.0 10.00 5.55 96.68) = 79.054% kept HB3 MET 97 - QD1 ILE 19 10.000% * 14.7513% (0.94 1.0 1.00 2.55 8.12) = 14.751% kept HG2 ARG+ 22 - QD1 ILE 19 10.000% * 2.0670% (0.17 1.0 1.00 1.93 1.47) = 2.067% kept HG3 ARG+ 84 - QD1 ILE 19 10.000% * 1.8552% (0.64 1.0 1.00 0.47 0.02) = 1.855% kept T HD3 LYS+ 55 - QD1 ILE 19 10.000% * 0.9339% (0.76 1.0 10.00 0.02 0.02) = 0.934% HB3 LYS+ 81 - QD1 ILE 19 10.000% * 0.7148% (0.99 1.0 1.00 0.12 0.02) = 0.715% HG2 PRO 52 - QD1 ILE 19 10.000% * 0.2959% (0.48 1.0 1.00 0.10 0.02) = 0.296% HB3 MET 126 - QD1 ILE 19 10.000% * 0.1198% (0.97 1.0 1.00 0.02 0.02) = 0.120% HB ILE 100 - QD1 ILE 19 10.000% * 0.1060% (0.86 1.0 1.00 0.02 0.02) = 0.106% HB3 LYS+ 66 - QD1 ILE 19 10.000% * 0.1021% (0.83 1.0 1.00 0.02 0.02) = 0.102% Peak 1118 (0.91, 0.73, 14.31 ppm): 13 chemical-shift based assignments, quality = 0.314, support = 4.56, residual support = 80.1: * O HG12 ILE 68 - QD1 ILE 68 7.692% * 78.8663% (0.31 10.0 4.55 92.71) = 78.866% kept QD1 LEU 67 - QD1 ILE 68 7.692% * 20.0963% (0.33 1.0 4.84 34.91) = 20.096% kept QG1 VAL 47 - QD1 ILE 68 7.692% * 0.4515% (0.30 1.0 0.12 0.02) = 0.452% QG2 VAL 80 - QD1 ILE 68 7.692% * 0.0974% (0.39 1.0 0.02 0.02) = 0.097% HG3 LYS+ 117 - QD1 ILE 68 7.692% * 0.0907% (0.36 1.0 0.02 0.02) = 0.091% HG3 LYS+ 110 - QD1 ILE 68 7.692% * 0.0870% (0.35 1.0 0.02 0.02) = 0.087% QG2 VAL 40 - QD1 ILE 68 7.692% * 0.0659% (0.26 1.0 0.02 0.02) = 0.066% QG2 VAL 87 - QD1 ILE 68 7.692% * 0.0659% (0.26 1.0 0.02 0.02) = 0.066% QG2 VAL 105 - QD1 ILE 68 7.692% * 0.0487% (0.19 1.0 0.02 0.60) = 0.049% QD1 LEU 17 - QD1 ILE 68 7.692% * 0.0447% (0.18 1.0 0.02 0.02) = 0.045% QG1 VAL 105 - QD1 ILE 68 7.692% * 0.0408% (0.16 1.0 0.02 0.60) = 0.041% QG1 VAL 80 - QD1 ILE 68 7.692% * 0.0302% (0.12 1.0 0.02 0.02) = 0.030% QG2 VAL 62 - QD1 ILE 68 7.692% * 0.0147% (0.06 1.0 0.02 0.02) = 0.015% Peak 1121 (0.73, 0.73, 14.30 ppm): 1 diagonal assignment: * QD1 ILE 68 - QD1 ILE 68 (0.44) kept Peak 1125 (0.02, 0.69, 14.33 ppm): 1 chemical-shift based assignment, quality = 0.964, support = 6.48, residual support = 96.7: * T QG2 ILE 19 - QD1 ILE 19 100.000% *100.0000% (0.96 10.00 6.48 96.68) = 100.000% kept Peak 1126 (8.78, 0.39, 14.01 ppm): 4 chemical-shift based assignments, quality = 0.464, support = 2.19, residual support = 4.93: * HN VAL 62 - QD1 ILE 48 25.000% * 47.8337% (0.24 3.74 9.55) = 47.834% kept HN PHE 34 - QD1 ILE 48 25.000% * 26.3662% (0.40 1.25 1.37) = 26.366% kept HN SER 69 - QD1 ILE 48 25.000% * 16.0625% (0.93 0.32 0.02) = 16.063% kept HN THR 95 - QD1 ILE 48 25.000% * 9.7375% (0.96 0.19 0.02) = 9.738% kept Peak 1127 (8.44, 4.27, 55.48 ppm): 6 chemical-shift based assignments, quality = 0.588, support = 0.661, residual support = 0.203: HN ARG+ 53 - HA LEU 90 16.667% * 40.5226% (0.66 0.62 0.23) = 40.523% kept HN LEU 74 - HA LEU 90 16.667% * 29.6976% (0.84 0.36 0.11) = 29.698% kept HN GLY 92 - HA LEU 90 16.667% * 24.3138% (0.20 1.22 0.31) = 24.314% kept HN GLU- 107 - HA LEU 90 16.667% * 3.7920% (0.37 0.10 0.02) = 3.792% kept HN CYS 123 - HA LEU 90 16.667% * 1.2282% (0.62 0.02 0.02) = 1.228% kept HN LYS+ 117 - HA LEU 90 16.667% * 0.4458% (0.23 0.02 0.02) = 0.446% Peak 1128 (8.29, 4.29, 55.60 ppm): 4 chemical-shift based assignments, quality = 0.584, support = 2.98, residual support = 14.4: * O HN ALA 91 - HA LEU 90 25.000% * 93.3165% (0.60 10.0 3.09 15.11) = 93.316% kept HN ASN 89 - HA LEU 90 25.000% * 5.8866% (0.45 1.0 1.69 4.40) = 5.887% kept HN ASP- 28 - HA LEU 90 25.000% * 0.7603% (0.66 1.0 0.15 0.02) = 0.760% HN VAL 99 - HA LEU 90 25.000% * 0.0367% (0.23 1.0 0.02 0.02) = 0.037% Peak 1129 (7.41, 0.40, 14.05 ppm): 2 chemical-shift based assignments, quality = 0.703, support = 1.72, residual support = 3.23: HN GLU- 64 - QD1 ILE 48 50.000% * 72.0564% (0.86 1.67 2.82) = 72.056% kept * HN THR 61 - QD1 ILE 48 50.000% * 27.9436% (0.31 1.82 4.28) = 27.944% kept Peak 1130 (7.31, 0.39, 14.04 ppm): 7 chemical-shift based assignments, quality = 0.676, support = 4.12, residual support = 77.8: * HN ILE 48 - QD1 ILE 48 14.286% * 43.6735% (0.66 5.62 149.82) = 43.673% kept HN VAL 47 - QD1 ILE 48 14.286% * 35.2617% (0.77 3.89 34.45) = 35.262% kept QD PHE 34 - QD1 ILE 48 14.286% * 13.8487% (0.70 1.69 1.37) = 13.849% kept QE PHE 34 - QD1 ILE 48 14.286% * 3.3503% (0.27 1.07 1.37) = 3.350% kept HZ PHE 34 - QD1 ILE 48 14.286% * 2.6455% (0.27 0.84 1.37) = 2.645% kept HN ARG+ 84 - QD1 ILE 48 14.286% * 0.8721% (0.81 0.09 0.02) = 0.872% HZ2 TRP 51 - QD1 ILE 48 14.286% * 0.3482% (0.27 0.11 0.02) = 0.348% Peak 1132 (4.71, 0.39, 14.05 ppm): 6 chemical-shift based assignments, quality = 0.91, support = 1.54, residual support = 3.12: * HA THR 61 - QD1 ILE 48 16.667% * 72.5316% (0.93 2.00 4.28) = 72.532% kept HA2 GLY 30 - QD1 ILE 48 16.667% * 15.2495% (0.88 0.44 0.02) = 15.249% kept HA VAL 99 - QD1 ILE 48 16.667% * 8.4225% (0.88 0.25 0.20) = 8.423% kept HA THR 39 - QD1 ILE 48 16.667% * 2.6924% (0.92 0.08 0.02) = 2.692% kept HA GLN 16 - QD1 ILE 48 16.667% * 0.6058% (0.78 0.02 0.02) = 0.606% HA LYS+ 20 - QD1 ILE 48 16.667% * 0.4982% (0.64 0.02 0.02) = 0.498% Peak 1145 (3.87, 0.39, 14.06 ppm): 10 chemical-shift based assignments, quality = 0.906, support = 2.68, residual support = 7.4: * T HA GLU- 45 - QD1 ILE 48 10.000% * 77.8496% (0.94 10.00 3.16 9.33) = 77.850% kept HB2 SER 85 - QD1 ILE 48 10.000% * 5.3374% (0.82 1.00 1.58 1.67) = 5.337% kept HA2 GLY 114 - QD1 ILE 48 10.000% * 3.6294% (0.84 1.00 1.04 0.80) = 3.629% kept HB3 SER 27 - QD1 ILE 48 10.000% * 3.4679% (0.94 1.00 0.89 0.26) = 3.468% kept HD3 PRO 35 - QD1 ILE 48 10.000% * 3.0909% (0.75 1.00 0.99 0.22) = 3.091% kept HB3 SER 77 - QD1 ILE 48 10.000% * 2.3480% (0.84 1.00 0.67 0.02) = 2.348% kept HB3 SER 88 - QD1 ILE 48 10.000% * 2.1010% (0.78 1.00 0.65 0.02) = 2.101% kept HD2 PRO 116 - QD1 ILE 48 10.000% * 1.1992% (0.68 1.00 0.42 0.02) = 1.199% kept HD2 PRO 86 - QD1 ILE 48 10.000% * 0.9630% (0.61 1.00 0.38 0.49) = 0.963% HA LYS+ 117 - QD1 ILE 48 10.000% * 0.0136% (0.16 1.00 0.02 0.02) = 0.014% Peak 1146 (3.44, 0.39, 14.04 ppm): 6 chemical-shift based assignments, quality = 0.897, support = 4.69, residual support = 75.9: T HA VAL 62 - QD1 ILE 48 16.667% * 52.2879% (0.94 10.00 3.60 9.55) = 52.288% kept * T HA ILE 48 - QD1 ILE 48 16.667% * 47.3121% (0.85 10.00 5.92 149.82) = 47.312% kept T HA VAL 40 - QD1 ILE 48 16.667% * 0.3413% (0.62 10.00 0.02 0.02) = 0.341% HA VAL 80 - QD1 ILE 48 16.667% * 0.0320% (0.58 1.00 0.02 0.02) = 0.032% HD3 PRO 31 - QD1 ILE 48 16.667% * 0.0163% (0.29 1.00 0.02 0.02) = 0.016% HA1 GLY 71 - QD1 ILE 48 16.667% * 0.0104% (0.19 1.00 0.02 0.78) = 0.010% Peak 1147 (2.45, 4.23, 55.13 ppm): 2 chemical-shift based assignments, quality = 0.21, support = 1.2, residual support = 3.5: * T HG3 GLU- 45 - HA ALA 42 50.000% * 99.8935% (0.21 10.00 1.20 3.50) = 99.893% kept HG2 PRO 112 - HA ALA 42 50.000% * 0.1065% (0.13 1.00 0.02 0.02) = 0.107% Peak 1148 (2.22, 4.23, 55.31 ppm): 14 chemical-shift based assignments, quality = 0.522, support = 0.744, residual support = 3.14: T HB3 GLU- 45 - HA ALA 42 7.143% * 89.7771% (0.52 10.00 0.83 3.50) = 89.777% kept T HG3 GLU- 109 - HA ALA 42 7.143% * 3.1344% (0.76 10.00 0.02 0.02) = 3.134% kept T HB2 GLU- 50 - HA ALA 42 7.143% * 2.9192% (0.70 10.00 0.02 0.02) = 2.919% kept T HG3 GLU- 10 - HA ALA 42 7.143% * 1.7904% (0.43 10.00 0.02 0.02) = 1.790% kept HG2 PRO 112 - HA ALA 42 7.143% * 0.3162% (0.76 1.00 0.02 0.02) = 0.316% HG3 GLN 102 - HA ALA 42 7.143% * 0.3155% (0.76 1.00 0.02 0.02) = 0.316% HB2 PRO 52 - HA ALA 42 7.143% * 0.3134% (0.76 1.00 0.02 0.02) = 0.313% HG3 GLU- 18 - HA ALA 42 7.143% * 0.3052% (0.74 1.00 0.02 0.02) = 0.305% HG3 MET 97 - HA ALA 42 7.143% * 0.2641% (0.64 1.00 0.02 0.02) = 0.264% HA1 GLY 58 - HA ALA 42 7.143% * 0.2641% (0.64 1.00 0.02 0.02) = 0.264% HG3 MET 126 - HA ALA 42 7.143% * 0.2296% (0.55 1.00 0.02 0.02) = 0.230% HG3 GLN 16 - HA ALA 42 7.143% * 0.1918% (0.46 1.00 0.02 0.02) = 0.192% HB3 ASN 15 - HA ALA 42 7.143% * 0.1300% (0.31 1.00 0.02 0.02) = 0.130% HG2 MET 126 - HA ALA 42 7.143% * 0.0488% (0.12 1.00 0.02 0.02) = 0.049% Peak 1149 (2.05, 0.39, 14.06 ppm): 14 chemical-shift based assignments, quality = 0.712, support = 1.19, residual support = 4.85: HB2 GLU- 45 - QD1 ILE 48 7.143% * 29.6653% (0.94 1.37 9.33) = 29.665% kept HG3 PRO 86 - QD1 ILE 48 7.143% * 20.5202% (0.96 0.93 0.49) = 20.520% kept * HB VAL 62 - QD1 ILE 48 7.143% * 17.8364% (0.33 2.36 9.55) = 17.836% kept HB3 LYS+ 110 - QD1 ILE 48 7.143% * 9.8497% (0.77 0.56 0.02) = 9.850% kept HB3 GLU- 75 - QD1 ILE 48 7.143% * 9.5958% (0.67 0.62 0.02) = 9.596% kept HB3 GLU- 64 - QD1 ILE 48 7.143% * 5.1635% (0.33 0.68 2.82) = 5.163% kept HG3 GLU- 64 - QD1 ILE 48 7.143% * 4.6081% (0.47 0.43 2.82) = 4.608% kept HG2 PRO 116 - QD1 ILE 48 7.143% * 1.1974% (0.13 0.40 0.02) = 1.197% kept HB3 PRO 31 - QD1 ILE 48 7.143% * 0.7347% (0.27 0.12 0.02) = 0.735% HG2 PRO 112 - QD1 ILE 48 7.143% * 0.3008% (0.65 0.02 0.02) = 0.301% HB3 GLU- 54 - QD1 ILE 48 7.143% * 0.1985% (0.43 0.02 0.02) = 0.198% HB3 GLU- 10 - QD1 ILE 48 7.143% * 0.1510% (0.33 0.02 0.02) = 0.151% HB ILE 101 - QD1 ILE 48 7.143% * 0.1104% (0.24 0.02 0.14) = 0.110% HB3 GLU- 107 - QD1 ILE 48 7.143% * 0.0683% (0.15 0.02 0.02) = 0.068% Peak 1150 (1.96, 4.28, 55.61 ppm): 15 chemical-shift based assignments, quality = 0.5, support = 0.641, residual support = 0.181: T HB3 GLU- 109 - HA LEU 90 6.667% * 52.2361% (0.65 10.00 0.55 0.02) = 52.236% kept T HB2 GLU- 75 - HA LEU 90 6.667% * 43.7194% (0.37 10.00 0.81 0.39) = 43.719% kept T HB3 GLU- 56 - HA LEU 90 6.667% * 0.9305% (0.32 10.00 0.02 0.02) = 0.931% HB VAL 73 - HA LEU 90 6.667% * 0.8688% (0.45 1.00 0.13 0.02) = 0.869% HB2 PRO 35 - HA LEU 90 6.667% * 0.7053% (0.63 1.00 0.08 0.02) = 0.705% HG2 PRO 112 - HA LEU 90 6.667% * 0.4343% (0.27 1.00 0.11 0.02) = 0.434% HB VAL 13 - HA LEU 90 6.667% * 0.1908% (0.65 1.00 0.02 0.02) = 0.191% HG3 PRO 116 - HA LEU 90 6.667% * 0.1895% (0.65 1.00 0.02 0.02) = 0.189% HG3 PRO 31 - HA LEU 90 6.667% * 0.1531% (0.52 1.00 0.02 0.02) = 0.153% HB3 LYS+ 55 - HA LEU 90 6.667% * 0.1461% (0.50 1.00 0.02 0.02) = 0.146% HB2 LYS+ 108 - HA LEU 90 6.667% * 0.1448% (0.11 1.00 0.09 0.02) = 0.145% HG3 PRO 104 - HA LEU 90 6.667% * 0.1160% (0.40 1.00 0.02 0.02) = 0.116% HB2 PRO 86 - HA LEU 90 6.667% * 0.0590% (0.20 1.00 0.02 0.02) = 0.059% HB2 PRO 116 - HA LEU 90 6.667% * 0.0532% (0.18 1.00 0.02 0.02) = 0.053% HB2 GLU- 10 - HA LEU 90 6.667% * 0.0532% (0.18 1.00 0.02 0.02) = 0.053% Peak 1151 (1.74, 0.39, 14.04 ppm): 6 chemical-shift based assignments, quality = 0.962, support = 5.68, residual support = 145.4: * O T HB ILE 48 - QD1 ILE 48 16.667% * 97.0285% (0.97 10.0 10.00 5.84 149.82) = 97.029% kept HB3 LEU 23 - QD1 ILE 48 16.667% * 2.4392% (0.90 1.0 1.00 0.54 0.33) = 2.439% kept HB2 GLN 16 - QD1 ILE 48 16.667% * 0.3335% (0.33 1.0 1.00 0.20 0.02) = 0.333% HB2 LYS+ 117 - QD1 ILE 48 16.667% * 0.0878% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB2 LEU 17 - QD1 ILE 48 16.667% * 0.0633% (0.63 1.0 1.00 0.02 0.02) = 0.063% HD3 PRO 59 - QD1 ILE 48 16.667% * 0.0477% (0.48 1.0 1.00 0.02 0.02) = 0.048% Peak 1152 (1.59, 4.29, 55.42 ppm): 10 chemical-shift based assignments, quality = 0.481, support = 1.67, residual support = 1.71: T HB3 PRO 52 - HA LEU 90 10.000% * 68.3422% (0.48 10.00 2.12 2.38) = 68.342% kept T HB ILE 19 - HA LEU 90 10.000% * 23.2669% (0.52 10.00 0.63 0.29) = 23.267% kept HD3 LYS+ 32 - HA LEU 90 10.000% * 3.9383% (0.63 1.00 0.87 0.21) = 3.938% kept HG2 LYS+ 110 - HA LEU 90 10.000% * 2.6296% (0.33 1.00 1.10 0.02) = 2.630% kept HG12 ILE 29 - HA LEU 90 10.000% * 1.1922% (0.15 1.00 1.10 0.02) = 1.192% kept HG LEU 17 - HA LEU 90 10.000% * 0.3635% (0.48 1.00 0.11 0.17) = 0.363% HB3 LYS+ 32 - HA LEU 90 10.000% * 0.1401% (0.98 1.00 0.02 0.21) = 0.140% HD3 LYS+ 60 - HA LEU 90 10.000% * 0.0577% (0.40 1.00 0.02 0.02) = 0.058% HD3 LYS+ 81 - HA LEU 90 10.000% * 0.0479% (0.33 1.00 0.02 0.02) = 0.048% QB ALA 42 - HA LEU 90 10.000% * 0.0217% (0.15 1.00 0.02 0.02) = 0.022% Peak 1153 (1.47, 0.39, 14.05 ppm): 8 chemical-shift based assignments, quality = 0.854, support = 4.69, residual support = 132.3: * O T HG13 ILE 48 - QD1 ILE 48 12.500% * 88.2259% (0.87 10.0 10.00 5.20 149.82) = 88.226% kept HB3 LYS+ 44 - QD1 ILE 48 12.500% * 4.3238% (0.59 1.0 1.00 1.45 0.51) = 4.324% kept HG3 LYS+ 60 - QD1 ILE 48 12.500% * 2.5195% (0.71 1.0 1.00 0.71 1.89) = 2.520% kept HG3 PRO 52 - QD1 ILE 48 12.500% * 2.2595% (0.97 1.0 1.00 0.46 0.02) = 2.259% kept HB3 LEU 67 - QD1 ILE 48 12.500% * 2.0364% (0.97 1.0 1.00 0.41 0.17) = 2.036% kept HG2 PRO 59 - QD1 ILE 48 12.500% * 0.3422% (0.71 1.0 1.00 0.10 0.02) = 0.342% QB ALA 70 - QD1 ILE 48 12.500% * 0.2755% (0.55 1.0 1.00 0.10 0.02) = 0.275% HG LEU 90 - QD1 ILE 48 12.500% * 0.0172% (0.17 1.0 1.00 0.02 0.02) = 0.017% Peak 1154 (1.14, 0.40, 14.02 ppm): 7 chemical-shift based assignments, quality = 0.67, support = 1.46, residual support = 1.82: QB ALA 33 - QD1 ILE 48 14.286% * 51.8544% (0.89 1.43 1.10) = 51.854% kept * QG2 THR 61 - QD1 ILE 48 14.286% * 27.1953% (0.29 2.30 4.28) = 27.195% kept HG3 LYS+ 32 - QD1 ILE 48 14.286% * 14.6275% (0.79 0.46 0.12) = 14.627% kept HB2 LEU 43 - QD1 ILE 48 14.286% * 4.1404% (0.21 0.49 1.60) = 4.140% kept HG3 PRO 59 - QD1 ILE 48 14.286% * 1.5082% (0.39 0.10 0.02) = 1.508% kept HD3 LYS+ 111 - QD1 ILE 48 14.286% * 0.5561% (0.68 0.02 0.02) = 0.556% QG2 THR 106 - QD1 ILE 48 14.286% * 0.1182% (0.15 0.02 0.02) = 0.118% Peak 1155 (0.95, 0.40, 14.04 ppm): 9 chemical-shift based assignments, quality = 0.867, support = 1.51, residual support = 5.69: * QG2 VAL 62 - QD1 ILE 48 11.111% * 52.8802% (0.86 2.03 9.55) = 52.880% kept QG2 ILE 29 - QD1 ILE 48 11.111% * 34.0757% (0.96 1.18 1.84) = 34.076% kept QG2 VAL 99 - QD1 ILE 48 11.111% * 8.3463% (0.92 0.30 0.20) = 8.346% kept HG12 ILE 68 - QD1 ILE 48 11.111% * 3.1475% (0.22 0.47 0.02) = 3.147% kept QG2 VAL 73 - QD1 ILE 48 11.111% * 0.5679% (0.94 0.02 0.02) = 0.568% QG1 VAL 105 - QD1 ILE 48 11.111% * 0.3159% (0.52 0.02 0.02) = 0.316% QD1 LEU 17 - QD1 ILE 48 11.111% * 0.2922% (0.48 0.02 0.02) = 0.292% QG2 VAL 105 - QD1 ILE 48 11.111% * 0.2692% (0.45 0.02 0.02) = 0.269% HG3 LYS+ 110 - QD1 ILE 48 11.111% * 0.1051% (0.17 0.02 0.02) = 0.105% Peak 1157 (0.84, 4.28, 55.45 ppm): 10 chemical-shift based assignments, quality = 0.469, support = 1.48, residual support = 10.2: * T QD2 LEU 90 - HA LEU 90 10.000% * 48.6005% (0.37 10.00 2.02 19.40) = 48.600% kept T QD2 LEU 17 - HA LEU 90 10.000% * 31.0313% (0.48 10.00 0.98 0.17) = 31.031% kept T QG1 VAL 94 - HA LEU 90 10.000% * 8.0002% (0.72 10.00 0.17 0.02) = 8.000% kept QD1 ILE 29 - HA LEU 90 10.000% * 4.7802% (0.94 1.00 0.78 0.02) = 4.780% kept QD1 LEU 90 - HA LEU 90 10.000% * 3.7831% (0.17 1.00 3.34 19.40) = 3.783% kept QG1 VAL 13 - HA LEU 90 10.000% * 2.9576% (0.94 1.00 0.48 0.02) = 2.958% kept QG2 VAL 13 - HA LEU 90 10.000% * 0.6753% (0.86 1.00 0.12 0.02) = 0.675% HG2 LYS+ 117 - HA LEU 90 10.000% * 0.1292% (0.99 1.00 0.02 0.02) = 0.129% QD2 LEU 67 - HA LEU 90 10.000% * 0.0227% (0.17 1.00 0.02 0.02) = 0.023% QG2 ILE 100 - HA LEU 90 10.000% * 0.0200% (0.15 1.00 0.02 0.02) = 0.020% Peak 1158 (0.71, 0.39, 14.05 ppm): 14 chemical-shift based assignments, quality = 0.725, support = 4.37, residual support = 92.0: * QG2 ILE 48 - QD1 ILE 48 7.143% * 61.2195% (0.81 6.33 149.82) = 61.219% kept QG1 VAL 65 - QD1 ILE 48 7.143% * 15.1490% (0.59 2.14 1.26) = 15.149% kept QG2 THR 96 - QD1 ILE 48 7.143% * 7.1056% (0.78 0.76 0.02) = 7.106% kept HG3 LYS+ 44 - QD1 ILE 48 7.143% * 4.9244% (0.27 1.51 0.51) = 4.924% kept QG2 VAL 65 - QD1 ILE 48 7.143% * 3.8380% (0.51 0.62 1.26) = 3.838% kept QG1 VAL 40 - QD1 ILE 48 7.143% * 2.3871% (0.63 0.32 0.02) = 2.387% kept HG LEU 74 - QD1 ILE 48 7.143% * 1.9878% (0.95 0.17 0.02) = 1.988% kept QD1 ILE 68 - QD1 ILE 48 7.143% * 1.9209% (0.59 0.27 0.02) = 1.921% kept QG2 ILE 101 - QD1 ILE 48 7.143% * 1.0541% (0.84 0.10 0.14) = 1.054% kept HG3 LYS+ 66 - QD1 ILE 48 7.143% * 0.2635% (0.27 0.08 0.02) = 0.263% QD1 ILE 19 - QD1 ILE 48 7.143% * 0.0463% (0.19 0.02 0.02) = 0.046% QG2 ILE 68 - QD1 ILE 48 7.143% * 0.0361% (0.15 0.02 0.02) = 0.036% QG2 VAL 94 - QD1 ILE 48 7.143% * 0.0361% (0.15 0.02 0.02) = 0.036% HG12 ILE 19 - QD1 ILE 48 7.143% * 0.0317% (0.13 0.02 0.02) = 0.032% Peak 1160 (0.39, 0.39, 14.04 ppm): 1 diagonal assignment: * QD1 ILE 48 - QD1 ILE 48 (0.95) kept Peak 1163 (7.74, 4.23, 55.11 ppm): 5 chemical-shift based assignments, quality = 0.206, support = 3.24, residual support = 18.9: * O HN ALA 42 - HA ALA 42 20.000% * 99.8575% (0.21 10.0 3.24 18.89) = 99.857% kept HN VAL 125 - HA ALA 42 20.000% * 0.0434% (0.09 1.0 0.02 0.02) = 0.043% HN ALA 37 - HA ALA 42 20.000% * 0.0396% (0.08 1.0 0.02 0.02) = 0.040% HN SER 124 - HA ALA 42 20.000% * 0.0360% (0.07 1.0 0.02 0.02) = 0.036% HN VAL 13 - HA ALA 42 20.000% * 0.0235% (0.05 1.0 0.02 0.02) = 0.024% Peak 1164 (6.79, 4.29, 55.32 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1174 (6.12, 4.39, 54.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1180 (4.47, 0.80, 12.73 ppm): 9 chemical-shift based assignments, quality = 0.905, support = 2.87, residual support = 46.4: * HA ILE 100 - QD1 ILE 100 11.111% * 67.6204% (0.98 3.72 68.30) = 67.620% kept HA GLN 102 - QD1 ILE 100 11.111% * 17.0732% (0.98 0.94 0.14) = 17.073% kept HA GLU- 50 - QD1 ILE 100 11.111% * 14.1667% (0.56 1.37 1.00) = 14.167% kept HA MET 126 - QD1 ILE 100 11.111% * 0.3593% (0.96 0.02 0.02) = 0.359% HA LYS+ 32 - QD1 ILE 100 11.111% * 0.3180% (0.85 0.02 0.02) = 0.318% HA CYS 123 - QD1 ILE 100 11.111% * 0.1376% (0.37 0.02 0.02) = 0.138% HA SER 77 - QD1 ILE 100 11.111% * 0.1376% (0.37 0.02 0.02) = 0.138% HA MET 118 - QD1 ILE 100 11.111% * 0.1376% (0.37 0.02 0.02) = 0.138% HB THR 79 - QD1 ILE 100 11.111% * 0.0496% (0.13 0.02 0.02) = 0.050% Peak 1196 (0.81, 0.80, 12.76 ppm): 1 diagonal assignment: * QD1 ILE 100 - QD1 ILE 100 (0.67) kept Peak 1199 (0.65, 0.81, 12.77 ppm): 3 chemical-shift based assignments, quality = 0.432, support = 1.85, residual support = 9.02: QG2 ILE 48 - QD1 ILE 100 33.333% * 49.9393% (0.70 0.71 0.35) = 49.939% kept QG2 ILE 101 - QD1 ILE 100 33.333% * 45.8725% (0.14 3.25 19.28) = 45.873% kept QG1 VAL 62 - QD1 ILE 100 33.333% * 4.1881% (0.37 0.11 0.14) = 4.188% kept Peak 1230 (9.51, 4.09, 53.22 ppm): 2 chemical-shift based assignments, quality = 0.494, support = 2.0, residual support = 13.8: * O HN ALA 70 - HA ALA 70 50.000% * 99.8372% (0.49 10.0 2.00 13.82) = 99.837% kept HE1 TRP 51 - HA ALA 70 50.000% * 0.1628% (0.81 1.0 0.02 0.02) = 0.163% Peak 1231 (8.49, 4.22, 53.32 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1232 (8.38, 4.09, 53.26 ppm): 3 chemical-shift based assignments, quality = 0.583, support = 2.71, residual support = 14.1: * O HN GLY 71 - HA ALA 70 33.333% * 99.9235% (0.58 10.0 2.72 14.06) = 99.923% kept HN LYS+ 108 - HA ALA 70 33.333% * 0.0527% (0.31 1.0 0.02 0.02) = 0.053% HN ALA 103 - HA ALA 70 33.333% * 0.0238% (0.14 1.0 0.02 0.02) = 0.024% Peak 1233 (6.07, 4.37, 53.19 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1235 (4.10, 4.09, 53.29 ppm): 1 diagonal assignment: * HA ALA 70 - HA ALA 70 (0.91) kept Peak 1237 (1.49, 4.09, 53.26 ppm): 8 chemical-shift based assignments, quality = 0.887, support = 2.28, residual support = 13.8: * O T QB ALA 70 - HA ALA 70 12.500% * 99.6568% (0.89 10.0 10.00 2.29 13.82) = 99.657% kept HB3 LYS+ 44 - HA ALA 70 12.500% * 0.0977% (0.87 1.0 1.00 0.02 0.02) = 0.098% HD3 LYS+ 108 - HA ALA 70 12.500% * 0.0585% (0.52 1.0 1.00 0.02 0.02) = 0.058% HB2 LYS+ 72 - HA ALA 70 12.500% * 0.0463% (0.41 1.0 1.00 0.02 2.40) = 0.046% HB3 LEU 67 - HA ALA 70 12.500% * 0.0463% (0.41 1.0 1.00 0.02 0.02) = 0.046% HG3 PRO 52 - HA ALA 70 12.500% * 0.0388% (0.35 1.0 1.00 0.02 0.02) = 0.039% HG3 LYS+ 72 - HA ALA 70 12.500% * 0.0352% (0.31 1.0 1.00 0.02 2.40) = 0.035% HG13 ILE 48 - HA ALA 70 12.500% * 0.0204% (0.18 1.0 1.00 0.02 0.02) = 0.020% Peak 1238 (1.37, 4.23, 53.10 ppm): 8 chemical-shift based assignments, quality = 0.378, support = 1.38, residual support = 5.5: * O T QB ALA 11 - HA ALA 11 12.500% * 98.1337% (0.38 10.0 10.00 1.40 5.61) = 98.134% kept HG3 LYS+ 81 - HA ALA 11 12.500% * 1.4623% (0.32 1.0 1.00 0.36 0.02) = 1.462% kept HB3 LYS+ 20 - HA ALA 11 12.500% * 0.0979% (0.38 1.0 1.00 0.02 0.02) = 0.098% HB3 LEU 17 - HA ALA 11 12.500% * 0.0906% (0.35 1.0 1.00 0.02 0.02) = 0.091% HG2 LYS+ 78 - HA ALA 11 12.500% * 0.0851% (0.33 1.0 1.00 0.02 0.02) = 0.085% QG2 THR 39 - HA ALA 11 12.500% * 0.0674% (0.26 1.0 1.00 0.02 0.02) = 0.067% HG13 ILE 68 - HA ALA 11 12.500% * 0.0478% (0.19 1.0 1.00 0.02 0.02) = 0.048% HD3 LYS+ 20 - HA ALA 11 12.500% * 0.0151% (0.06 1.0 1.00 0.02 0.02) = 0.015% Peak 1239 (8.25, 4.24, 52.81 ppm): 8 chemical-shift based assignments, quality = 0.59, support = 0.968, residual support = 2.05: * O HN GLU- 12 - HA ALA 11 12.500% * 87.0179% (0.59 10.0 1.00 2.35) = 87.018% kept HN ASP- 115 - HA ALA 11 12.500% * 8.0456% (0.81 1.0 0.68 0.02) = 8.046% kept HN SER 49 - HA ALA 11 12.500% * 4.2155% (0.28 1.0 1.03 0.24) = 4.215% kept HN THR 106 - HA ALA 11 12.500% * 0.2397% (0.81 1.0 0.02 0.02) = 0.240% HN LYS+ 81 - HA ALA 11 12.500% * 0.1454% (0.49 1.0 0.02 0.02) = 0.145% HN LEU 67 - HA ALA 11 12.500% * 0.1454% (0.49 1.0 0.02 0.02) = 0.145% HN GLY 58 - HA ALA 11 12.500% * 0.1167% (0.40 1.0 0.02 0.02) = 0.117% HN ASN 89 - HA ALA 11 12.500% * 0.0740% (0.25 1.0 0.02 0.02) = 0.074% Peak 1240 (4.32, 4.31, 52.81 ppm): 1 diagonal assignment: * HA ALA 93 - HA ALA 93 (0.88) kept Peak 1241 (4.25, 4.24, 52.85 ppm): 1 diagonal assignment: * HA ALA 11 - HA ALA 11 (0.86) kept Peak 1245 (4.08, 4.25, 53.15 ppm): 7 chemical-shift based assignments, quality = 0.286, support = 0.418, residual support = 0.199: T HB3 SER 49 - HA ALA 11 14.286% * 77.4266% (0.28 10.00 0.52 0.24) = 77.427% kept T HA THR 24 - HA ALA 11 14.286% * 16.2846% (0.31 10.00 0.10 0.02) = 16.285% kept T HB2 SER 49 - HA ALA 11 14.286% * 3.1040% (0.29 10.00 0.02 0.24) = 3.104% kept T HA VAL 125 - HA ALA 11 14.286% * 2.6925% (0.25 10.00 0.02 0.02) = 2.692% kept HB THR 38 - HA ALA 11 14.286% * 0.1921% (0.18 1.00 0.02 0.02) = 0.192% HA LYS+ 63 - HA ALA 11 14.286% * 0.1580% (0.15 1.00 0.02 0.02) = 0.158% HA ALA 70 - HA ALA 11 14.286% * 0.1423% (0.13 1.00 0.02 0.02) = 0.142% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 1246 (3.95, 4.26, 53.19 ppm): 3 chemical-shift based assignments, quality = 0.316, support = 1.12, residual support = 1.03: HA1 GLY 114 - HA ALA 11 33.333% * 72.1209% (0.32 1.34 1.16) = 72.121% kept HA LEU 74 - HA ALA 11 33.333% * 27.6062% (0.30 0.55 0.70) = 27.606% kept HB THR 96 - HA ALA 11 33.333% * 0.2729% (0.08 0.02 0.02) = 0.273% Peak 1247 (1.39, 4.32, 52.77 ppm): 12 chemical-shift based assignments, quality = 0.393, support = 1.23, residual support = 4.74: * O QB ALA 93 - HA ALA 93 8.333% * 82.7282% (0.39 10.0 1.31 5.71) = 82.728% kept HB3 LEU 17 - HA ALA 93 8.333% * 5.3921% (0.18 1.0 1.86 0.23) = 5.392% kept HG2 LYS+ 78 - HA ALA 93 8.333% * 3.9206% (0.59 1.0 0.42 0.02) = 3.921% kept QG2 THR 39 - HA ALA 93 8.333% * 3.5611% (0.73 1.0 0.31 0.02) = 3.561% kept HB3 LYS+ 20 - HA ALA 93 8.333% * 2.8965% (0.30 1.0 0.59 0.11) = 2.897% kept QB ALA 11 - HA ALA 93 8.333% * 0.6706% (0.33 1.0 0.13 0.02) = 0.671% HG13 ILE 68 - HA ALA 93 8.333% * 0.2579% (0.80 1.0 0.02 0.02) = 0.258% HD3 LYS+ 20 - HA ALA 93 8.333% * 0.2173% (0.68 1.0 0.02 0.11) = 0.217% HG13 ILE 100 - HA ALA 93 8.333% * 0.1266% (0.39 1.0 0.02 0.02) = 0.127% HG LEU 67 - HA ALA 93 8.333% * 0.1166% (0.36 1.0 0.02 0.02) = 0.117% QB ALA 37 - HA ALA 93 8.333% * 0.0723% (0.22 1.0 0.02 0.02) = 0.072% HG3 LYS+ 81 - HA ALA 93 8.333% * 0.0401% (0.12 1.0 0.02 0.11) = 0.040% Peak 1258 (1.43, 4.38, 52.52 ppm): 14 chemical-shift based assignments, quality = 0.142, support = 1.59, residual support = 5.25: * O QB ALA 37 - HA ALA 37 7.143% * 75.0009% (0.12 10.0 1.62 5.85) = 75.001% kept QG2 THR 38 - HA ALA 37 7.143% * 14.9352% (0.21 1.0 1.83 5.32) = 14.935% kept QB ALA 91 - HA ALA 37 7.143% * 8.9363% (0.21 1.0 1.11 0.73) = 8.936% kept HD3 LYS+ 113 - HA ALA 37 7.143% * 0.1599% (0.21 1.0 0.02 0.02) = 0.160% HG3 ARG+ 22 - HA ALA 37 7.143% * 0.1574% (0.21 1.0 0.02 0.02) = 0.157% HG3 LYS+ 55 - HA ALA 37 7.143% * 0.1574% (0.21 1.0 0.02 0.02) = 0.157% HD3 LYS+ 44 - HA ALA 37 7.143% * 0.1543% (0.20 1.0 0.02 0.02) = 0.154% HG3 LYS+ 113 - HA ALA 37 7.143% * 0.1506% (0.20 1.0 0.02 0.02) = 0.151% HG LEU 90 - HA ALA 37 7.143% * 0.1184% (0.16 1.0 0.02 0.02) = 0.118% HG LEU 67 - HA ALA 37 7.143% * 0.0612% (0.08 1.0 0.02 0.02) = 0.061% HG13 ILE 100 - HA ALA 37 7.143% * 0.0556% (0.07 1.0 0.02 0.02) = 0.056% QB ALA 93 - HA ALA 37 7.143% * 0.0556% (0.07 1.0 0.02 0.02) = 0.056% HG2 PRO 59 - HA ALA 37 7.143% * 0.0286% (0.04 1.0 0.02 0.02) = 0.029% HG3 LYS+ 60 - HA ALA 37 7.143% * 0.0286% (0.04 1.0 0.02 0.02) = 0.029% Peak 1259 (1.11, 4.38, 52.53 ppm): 5 chemical-shift based assignments, quality = 0.157, support = 0.02, residual support = 0.02: QG2 THR 79 - HA ALA 37 20.000% * 37.2870% (0.22 0.02 0.02) = 37.287% kept QG2 THR 61 - HA ALA 37 20.000% * 30.8691% (0.18 0.02 0.02) = 30.869% kept HD3 LYS+ 111 - HA ALA 37 20.000% * 13.7782% (0.08 0.02 0.02) = 13.778% kept HG3 LYS+ 32 - HA ALA 37 20.000% * 10.0720% (0.06 0.02 0.02) = 10.072% kept QG2 THR 95 - HA ALA 37 20.000% * 7.9936% (0.05 0.02 0.02) = 7.994% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 1261 (6.74, 0.55, 10.88 ppm): 2 chemical-shift based assignments, quality = 0.828, support = 0.574, residual support = 2.28: * HZ3 TRP 51 - QD1 ILE 101 50.000% * 70.6507% (0.80 0.71 3.22) = 70.651% kept QE TYR 83 - QD1 ILE 101 50.000% * 29.3493% (0.91 0.26 0.02) = 29.349% kept Peak 1262 (4.94, 0.55, 10.95 ppm): 3 chemical-shift based assignments, quality = 0.868, support = 5.25, residual support = 118.3: * HA ILE 101 - QD1 ILE 101 33.333% * 91.7459% (0.89 5.67 128.96) = 91.746% kept HA HIS+ 98 - QD1 ILE 101 33.333% * 7.9042% (0.63 0.70 0.11) = 7.904% kept HA ALA 33 - QD1 ILE 101 33.333% * 0.3500% (0.96 0.02 0.20) = 0.350% Peak 1268 (4.21, 0.55, 10.94 ppm): 9 chemical-shift based assignments, quality = 0.627, support = 1.78, residual support = 2.42: T HB3 SER 49 - QD1 ILE 101 11.111% * 92.3832% (0.63 10.00 1.89 2.53) = 92.383% kept HA ASP- 82 - QD1 ILE 101 11.111% * 3.5582% (0.92 1.00 0.50 0.69) = 3.558% kept HA SER 49 - QD1 ILE 101 11.111% * 2.3510% (0.40 1.00 0.76 2.53) = 2.351% kept HA GLU- 109 - QD1 ILE 101 11.111% * 1.0090% (0.59 1.00 0.22 0.02) = 1.009% kept HA LYS+ 108 - QD1 ILE 101 11.111% * 0.4514% (0.19 1.00 0.30 0.27) = 0.451% HA GLU- 12 - QD1 ILE 101 11.111% * 0.1357% (0.87 1.00 0.02 0.02) = 0.136% HA ALA 42 - QD1 ILE 101 11.111% * 0.0516% (0.33 1.00 0.02 0.02) = 0.052% HA GLU- 10 - QD1 ILE 101 11.111% * 0.0299% (0.19 1.00 0.02 0.02) = 0.030% HA GLU- 54 - QD1 ILE 101 11.111% * 0.0299% (0.19 1.00 0.02 0.02) = 0.030% Reference assignment not found: HA VAL 65 - QD1 ILE 101 Peak 1271 (2.07, 0.55, 10.97 ppm): 12 chemical-shift based assignments, quality = 0.919, support = 4.99, residual support = 111.5: * O HB ILE 101 - QD1 ILE 101 8.333% * 86.3670% (0.97 10.0 5.57 128.96) = 86.367% kept HB3 GLU- 75 - QD1 ILE 101 8.333% * 7.5576% (0.88 1.0 1.92 1.35) = 7.558% kept HG3 PRO 86 - QD1 ILE 101 8.333% * 1.8635% (0.34 1.0 1.24 0.11) = 1.863% kept HG2 GLN 16 - QD1 ILE 101 8.333% * 1.5577% (0.72 1.0 0.49 0.02) = 1.558% kept HG2 PRO 112 - QD1 ILE 101 8.333% * 0.9222% (0.73 1.0 0.28 0.02) = 0.922% HB2 GLU- 45 - QD1 ILE 101 8.333% * 0.8170% (0.44 1.0 0.41 0.02) = 0.817% HB VAL 62 - QD1 ILE 101 8.333% * 0.7099% (0.99 1.0 0.16 0.80) = 0.710% HB3 LYS+ 120 - QD1 ILE 101 8.333% * 0.0764% (0.86 1.0 0.02 0.02) = 0.076% HD3 LYS+ 110 - QD1 ILE 101 8.333% * 0.0429% (0.48 1.0 0.02 0.77) = 0.043% HB2 LYS+ 110 - QD1 ILE 101 8.333% * 0.0362% (0.41 1.0 0.02 0.77) = 0.036% HB VAL 125 - QD1 ILE 101 8.333% * 0.0301% (0.34 1.0 0.02 0.02) = 0.030% HB2 MET 118 - QD1 ILE 101 8.333% * 0.0196% (0.22 1.0 0.02 0.02) = 0.020% Peak 1272 (1.63, 0.55, 10.95 ppm): 11 chemical-shift based assignments, quality = 0.902, support = 4.78, residual support = 125.4: * O T HG12 ILE 101 - QD1 ILE 101 9.091% * 97.2010% (0.93 10.0 10.00 4.91 128.96) = 97.201% kept T HG3 ARG+ 84 - QD1 ILE 101 9.091% * 1.2794% (0.19 1.0 10.00 0.13 0.02) = 1.279% kept HB3 PRO 52 - QD1 ILE 101 9.091% * 0.9442% (0.22 1.0 1.00 0.83 0.02) = 0.944% HG LEU 23 - QD1 ILE 101 9.091% * 0.1007% (0.96 1.0 1.00 0.02 0.51) = 0.101% HB VAL 122 - QD1 ILE 101 9.091% * 0.0949% (0.90 1.0 1.00 0.02 0.02) = 0.095% HB ILE 68 - QD1 ILE 101 9.091% * 0.0949% (0.90 1.0 1.00 0.02 0.10) = 0.095% HG LEU 43 - QD1 ILE 101 9.091% * 0.0949% (0.90 1.0 1.00 0.02 0.02) = 0.095% HG3 LYS+ 78 - QD1 ILE 101 9.091% * 0.0706% (0.67 1.0 1.00 0.02 0.02) = 0.071% HG2 ARG+ 22 - QD1 ILE 101 9.091% * 0.0706% (0.67 1.0 1.00 0.02 3.69) = 0.071% HG2 LYS+ 110 - QD1 ILE 101 9.091% * 0.0351% (0.33 1.0 1.00 0.02 0.77) = 0.035% HD3 LYS+ 32 - QD1 ILE 101 9.091% * 0.0139% (0.13 1.0 1.00 0.02 1.03) = 0.014% Peak 1273 (1.27, 0.55, 10.96 ppm): 5 chemical-shift based assignments, quality = 0.755, support = 4.9, residual support = 124.1: * O T HG13 ILE 101 - QD1 ILE 101 20.000% * 96.2381% (0.75 10.0 10.00 5.08 128.96) = 96.238% kept HG2 LYS+ 32 - QD1 ILE 101 20.000% * 1.9837% (0.98 1.0 1.00 0.32 1.03) = 1.984% kept HG2 LYS+ 81 - QD1 ILE 101 20.000% * 1.6177% (0.82 1.0 1.00 0.31 0.02) = 1.618% kept HB3 LEU 74 - QD1 ILE 101 20.000% * 0.1215% (0.95 1.0 1.00 0.02 0.02) = 0.122% HB2 LYS+ 55 - QD1 ILE 101 20.000% * 0.0389% (0.30 1.0 1.00 0.02 0.02) = 0.039% Peak 1274 (1.00, 0.55, 10.95 ppm): 1 chemical-shift based assignment, quality = 0.975, support = 0.99, residual support = 2.72: T QG1 VAL 99 - QD1 ILE 101 100.000% *100.0000% (0.97 10.00 0.99 2.72) = 100.000% kept Peak 1275 (0.72, 0.55, 10.95 ppm): 10 chemical-shift based assignments, quality = 0.696, support = 4.13, residual support = 65.3: * QG2 ILE 101 - QD1 ILE 101 10.000% * 48.9619% (0.75 6.53 128.96) = 48.962% kept QG2 VAL 65 - QD1 ILE 101 10.000% * 15.4112% (0.72 2.15 5.65) = 15.411% kept QG1 VAL 65 - QD1 ILE 101 10.000% * 12.4761% (0.41 3.07 5.65) = 12.476% kept QG2 ILE 48 - QD1 ILE 101 10.000% * 9.0400% (0.77 1.18 0.14) = 9.040% kept HG3 LYS+ 66 - QD1 ILE 101 10.000% * 5.3236% (0.44 1.20 9.40) = 5.324% kept QG1 VAL 40 - QD1 ILE 101 10.000% * 5.0009% (0.83 0.61 0.59) = 5.001% kept HG LEU 74 - QD1 ILE 101 10.000% * 3.4193% (0.98 0.35 0.02) = 3.419% kept QD1 ILE 68 - QD1 ILE 101 10.000% * 0.1584% (0.79 0.02 0.10) = 0.158% QG2 THR 96 - QD1 ILE 101 10.000% * 0.1200% (0.60 0.02 0.02) = 0.120% HG3 LYS+ 44 - QD1 ILE 101 10.000% * 0.0887% (0.44 0.02 0.02) = 0.089% Peak 1276 (0.55, 0.55, 10.95 ppm): 1 diagonal assignment: * QD1 ILE 101 - QD1 ILE 101 (0.96) kept Peak 1280 (0.93, 0.92, 10.19 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1281 (5.06, 3.93, 51.31 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1282 (5.04, 3.84, 51.32 ppm): 2 chemical-shift based assignments, quality = 0.341, support = 0.02, residual support = 0.02: HA PHE 34 - HD3 PRO 86 50.000% * 68.3907% (0.41 0.02 0.02) = 68.391% kept HA PHE 34 - HD3 PRO 116 50.000% * 31.6093% (0.19 0.02 0.02) = 31.609% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 1283 (4.85, 3.88, 51.10 ppm): 9 chemical-shift based assignments, quality = 0.893, support = 3.84, residual support = 11.3: * O HA ASP- 115 - HD2 PRO 116 11.111% * 98.3652% (0.90 10.0 3.90 11.49) = 98.365% kept HA ASP- 115 - HD2 PRO 86 11.111% * 1.2488% (0.68 1.0 0.34 0.02) = 1.249% kept HA THR 96 - HD2 PRO 116 11.111% * 0.1031% (0.94 1.0 0.02 0.02) = 0.103% HA THR 96 - HD3 PRO 35 11.111% * 0.0812% (0.74 1.0 0.02 0.02) = 0.081% HA THR 96 - HD2 PRO 86 11.111% * 0.0780% (0.71 1.0 0.02 0.02) = 0.078% HA ASP- 115 - HD3 PRO 35 11.111% * 0.0775% (0.71 1.0 0.02 0.02) = 0.077% HA ILE 19 - HD2 PRO 116 11.111% * 0.0182% (0.17 1.0 0.02 0.02) = 0.018% HA ILE 19 - HD3 PRO 35 11.111% * 0.0143% (0.13 1.0 0.02 0.02) = 0.014% HA ILE 19 - HD2 PRO 86 11.111% * 0.0138% (0.13 1.0 0.02 0.02) = 0.014% Peak 1285 (3.86, 3.88, 51.10 ppm): 3 diagonal assignments: * HD2 PRO 116 - HD2 PRO 116 (0.36) kept HD3 PRO 35 - HD3 PRO 35 (0.34) kept HD2 PRO 86 - HD2 PRO 86 (0.23) kept Peak 1286 (2.04, 3.88, 51.12 ppm): 42 chemical-shift based assignments, quality = 0.499, support = 2.8, residual support = 15.7: O T HG3 PRO 86 - HD2 PRO 86 2.381% * 49.1600% (0.66 10.0 10.00 3.55 22.64) = 49.160% kept * O T HG2 PRO 116 - HD2 PRO 116 2.381% * 26.1368% (0.35 10.0 10.00 3.55 16.46) = 26.137% kept T HG2 PRO 112 - HD3 PRO 35 2.381% * 14.8949% (0.53 1.0 10.00 0.76 1.75) = 14.895% kept T HG3 PRO 112 - HD3 PRO 35 2.381% * 3.1784% (0.14 1.0 10.00 0.60 1.75) = 3.178% kept T HG3 PRO 86 - HD2 PRO 116 2.381% * 0.5817% (0.78 1.0 10.00 0.02 0.02) = 0.582% T HB3 GLU- 54 - HD2 PRO 116 2.381% * 0.5576% (0.75 1.0 10.00 0.02 0.02) = 0.558% T HB2 GLU- 45 - HD2 PRO 116 2.381% * 0.5057% (0.68 1.0 10.00 0.02 0.02) = 0.506% T HG3 PRO 86 - HD3 PRO 35 2.381% * 0.5015% (0.67 1.0 10.00 0.02 0.02) = 0.502% T HB3 GLU- 54 - HD3 PRO 35 2.381% * 0.4808% (0.65 1.0 10.00 0.02 0.02) = 0.481% T HG2 PRO 112 - HD2 PRO 116 2.381% * 0.4542% (0.61 1.0 10.00 0.02 0.02) = 0.454% T HB2 GLU- 45 - HD3 PRO 35 2.381% * 0.4360% (0.59 1.0 10.00 0.02 0.02) = 0.436% T HB3 GLU- 75 - HD2 PRO 116 2.381% * 0.4187% (0.56 1.0 10.00 0.02 0.02) = 0.419% T HG2 PRO 112 - HD2 PRO 86 2.381% * 0.3838% (0.52 1.0 10.00 0.02 0.02) = 0.384% T HB3 GLU- 75 - HD3 PRO 35 2.381% * 0.3610% (0.49 1.0 10.00 0.02 0.02) = 0.361% T HB3 GLU- 75 - HD2 PRO 86 2.381% * 0.3539% (0.48 1.0 10.00 0.02 0.02) = 0.354% T HG2 PRO 116 - HD3 PRO 35 2.381% * 0.2254% (0.30 1.0 10.00 0.02 0.02) = 0.225% T HG2 PRO 116 - HD2 PRO 86 2.381% * 0.2209% (0.30 1.0 10.00 0.02 0.02) = 0.221% T HG3 PRO 112 - HD2 PRO 116 2.381% * 0.1220% (0.16 1.0 10.00 0.02 0.02) = 0.122% T HG3 PRO 112 - HD2 PRO 86 2.381% * 0.1031% (0.14 1.0 10.00 0.02 0.02) = 0.103% HB3 LYS+ 110 - HD2 PRO 116 2.381% * 0.0695% (0.93 1.0 1.00 0.02 0.02) = 0.069% HB3 LYS+ 110 - HD3 PRO 35 2.381% * 0.0599% (0.81 1.0 1.00 0.02 0.02) = 0.060% HB3 LYS+ 110 - HD2 PRO 86 2.381% * 0.0587% (0.79 1.0 1.00 0.02 0.02) = 0.059% HG3 GLU- 64 - HD2 PRO 116 2.381% * 0.0582% (0.78 1.0 1.00 0.02 0.02) = 0.058% HG3 GLU- 64 - HD3 PRO 35 2.381% * 0.0502% (0.67 1.0 1.00 0.02 0.02) = 0.050% HG3 GLU- 64 - HD2 PRO 86 2.381% * 0.0492% (0.66 1.0 1.00 0.02 0.02) = 0.049% HB3 GLU- 10 - HD2 PRO 116 2.381% * 0.0478% (0.64 1.0 1.00 0.02 0.02) = 0.048% HB3 GLU- 64 - HD2 PRO 116 2.381% * 0.0478% (0.64 1.0 1.00 0.02 0.02) = 0.048% HB3 GLU- 54 - HD2 PRO 86 2.381% * 0.0471% (0.63 1.0 1.00 0.02 0.02) = 0.047% HB2 GLU- 45 - HD2 PRO 86 2.381% * 0.0427% (0.57 1.0 1.00 0.02 0.02) = 0.043% HB3 PRO 31 - HD2 PRO 116 2.381% * 0.0422% (0.57 1.0 1.00 0.02 0.02) = 0.042% HB3 GLU- 10 - HD3 PRO 35 2.381% * 0.0412% (0.55 1.0 1.00 0.02 0.02) = 0.041% HB3 GLU- 64 - HD3 PRO 35 2.381% * 0.0412% (0.55 1.0 1.00 0.02 0.02) = 0.041% HB3 GLU- 10 - HD2 PRO 86 2.381% * 0.0404% (0.54 1.0 1.00 0.02 0.02) = 0.040% HB3 GLU- 64 - HD2 PRO 86 2.381% * 0.0404% (0.54 1.0 1.00 0.02 0.02) = 0.040% HB3 PRO 31 - HD3 PRO 35 2.381% * 0.0364% (0.49 1.0 1.00 0.02 0.02) = 0.036% HB3 PRO 31 - HD2 PRO 86 2.381% * 0.0357% (0.48 1.0 1.00 0.02 0.02) = 0.036% HB3 GLU- 107 - HD2 PRO 116 2.381% * 0.0286% (0.38 1.0 1.00 0.02 0.02) = 0.029% HB3 GLU- 107 - HD3 PRO 35 2.381% * 0.0247% (0.33 1.0 1.00 0.02 0.02) = 0.025% HB3 GLU- 107 - HD2 PRO 86 2.381% * 0.0242% (0.33 1.0 1.00 0.02 0.02) = 0.024% HB2 GLU- 18 - HD2 PRO 116 2.381% * 0.0138% (0.19 1.0 1.00 0.02 0.02) = 0.014% HB2 GLU- 18 - HD3 PRO 35 2.381% * 0.0119% (0.16 1.0 1.00 0.02 0.02) = 0.012% HB2 GLU- 18 - HD2 PRO 86 2.381% * 0.0116% (0.16 1.0 1.00 0.02 0.02) = 0.012% Peak 1287 (4.85, 3.83, 51.08 ppm): 9 chemical-shift based assignments, quality = 0.885, support = 3.15, residual support = 11.4: * O HA ASP- 115 - HD3 PRO 116 11.111% * 99.1424% (0.89 10.0 3.18 11.49) = 99.142% kept HA ASP- 115 - HD3 PRO 86 11.111% * 0.5831% (0.61 1.0 0.17 0.02) = 0.583% HA THR 96 - HD3 PRO 116 11.111% * 0.1039% (0.94 1.0 0.02 0.02) = 0.104% HA THR 96 - HD3 PRO 86 11.111% * 0.0711% (0.64 1.0 0.02 0.02) = 0.071% HA THR 96 - HD3 PRO 112 11.111% * 0.0322% (0.29 1.0 0.02 0.02) = 0.032% HA ASP- 115 - HD3 PRO 112 11.111% * 0.0308% (0.28 1.0 0.02 0.02) = 0.031% HA ILE 19 - HD3 PRO 116 11.111% * 0.0184% (0.17 1.0 0.02 0.02) = 0.018% HA ILE 19 - HD3 PRO 86 11.111% * 0.0126% (0.11 1.0 0.02 0.02) = 0.013% HA ILE 19 - HD3 PRO 112 11.111% * 0.0057% (0.05 1.0 0.02 1.03) = 0.006% Peak 1288 (4.60, 3.80, 50.88 ppm): 9 chemical-shift based assignments, quality = 0.586, support = 0.0199, residual support = 0.112: HA ASP- 25 - HD3 PRO 112 11.111% * 39.3602% (0.97 0.02 0.02) = 39.360% kept HA LYS+ 72 - HD3 PRO 112 11.111% * 20.8932% (0.52 0.02 0.46) = 20.893% kept HA ASP- 25 - HD3 PRO 116 11.111% * 16.0746% (0.40 0.02 0.02) = 16.075% kept HA LYS+ 72 - HD3 PRO 116 11.111% * 8.5327% (0.21 0.02 0.02) = 8.533% kept HA LYS+ 78 - HD3 PRO 112 11.111% * 5.3744% (0.13 0.02 0.02) = 5.374% kept HA ASP- 25 - HD3 PRO 86 11.111% * 4.5401% (0.11 0.02 0.02) = 4.540% kept HA LYS+ 72 - HD3 PRO 86 11.111% * 2.4100% (0.06 0.02 0.02) = 2.410% kept HA LYS+ 78 - HD3 PRO 116 11.111% * 2.1949% (0.05 0.02 0.02) = 2.195% kept HA LYS+ 78 - HD3 PRO 86 11.111% * 0.6199% (0.02 0.02 0.02) = 0.620% Not enough support, support cutoff is 0.27 Peak unassigned. Peak 1296 (3.82, 3.81, 50.96 ppm): 3 diagonal assignments: * HD3 PRO 116 - HD3 PRO 116 (0.79) kept HD3 PRO 112 - HD3 PRO 112 (0.45) kept HD3 PRO 86 - HD3 PRO 86 (0.31) kept Peak 1297 (3.80, 3.62, 50.82 ppm): 5 chemical-shift based assignments, quality = 0.934, support = 3.86, residual support = 39.4: * O HD3 PRO 112 - HD2 PRO 112 20.000% * 99.8054% (0.94 10.0 3.87 39.48) = 99.805% kept HB3 SER 41 - HD2 PRO 112 20.000% * 0.0864% (0.81 1.0 0.02 0.02) = 0.086% HD3 PRO 86 - HD2 PRO 112 20.000% * 0.0464% (0.43 1.0 0.02 0.02) = 0.046% HD3 PRO 116 - HD2 PRO 112 20.000% * 0.0388% (0.36 1.0 0.02 0.02) = 0.039% HA2 GLY 92 - HD2 PRO 112 20.000% * 0.0230% (0.22 1.0 0.02 0.02) = 0.023% Peak 1300 (3.63, 3.80, 50.86 ppm): 3 chemical-shift based assignments, quality = 0.839, support = 3.85, residual support = 39.3: * O T HD2 PRO 112 - HD3 PRO 112 33.333% * 99.5859% (0.84 10.0 10.00 3.87 39.48) = 99.586% kept T HD2 PRO 112 - HD3 PRO 116 33.333% * 0.3285% (0.28 1.0 10.00 0.02 0.02) = 0.329% T HD2 PRO 112 - HD3 PRO 86 33.333% * 0.0856% (0.07 1.0 10.00 0.02 0.02) = 0.086% Peak 1301 (3.63, 3.62, 50.84 ppm): 1 diagonal assignment: * HD2 PRO 112 - HD2 PRO 112 (0.96) kept Peak 1306 (3.47, 3.46, 50.89 ppm): 1 diagonal assignment: * HD3 PRO 31 - HD3 PRO 31 (0.92) kept Peak 1310 (2.31, 3.88, 51.09 ppm): 18 chemical-shift based assignments, quality = 0.659, support = 3.06, residual support = 15.9: * O T HB3 PRO 116 - HD2 PRO 116 5.556% * 48.5585% (0.78 10.0 10.00 3.52 16.46) = 48.558% kept O T HB3 PRO 86 - HD2 PRO 86 5.556% * 33.8526% (0.55 10.0 10.00 3.64 22.64) = 33.853% kept T HG2 PRO 112 - HD3 PRO 35 5.556% * 14.9100% (0.63 1.0 10.00 0.76 1.75) = 14.910% kept T HG2 PRO 112 - HD2 PRO 116 5.556% * 0.5475% (0.88 1.0 10.00 0.02 0.02) = 0.547% T HB3 PRO 86 - HD2 PRO 116 5.556% * 0.4634% (0.75 1.0 10.00 0.02 0.02) = 0.463% T HG2 PRO 112 - HD2 PRO 86 5.556% * 0.3999% (0.65 1.0 10.00 0.02 0.02) = 0.400% T HB3 PRO 116 - HD2 PRO 86 5.556% * 0.3547% (0.57 1.0 10.00 0.02 0.02) = 0.355% T HB3 PRO 116 - HD3 PRO 35 5.556% * 0.3477% (0.56 1.0 10.00 0.02 0.02) = 0.348% T HB3 PRO 86 - HD3 PRO 35 5.556% * 0.3318% (0.54 1.0 10.00 0.02 0.02) = 0.332% HG2 GLU- 64 - HD2 PRO 116 5.556% * 0.0526% (0.85 1.0 1.00 0.02 0.02) = 0.053% HG2 GLU- 64 - HD2 PRO 86 5.556% * 0.0384% (0.62 1.0 1.00 0.02 0.02) = 0.038% HG2 GLU- 64 - HD3 PRO 35 5.556% * 0.0377% (0.61 1.0 1.00 0.02 0.02) = 0.038% HB2 TYR 83 - HD2 PRO 116 5.556% * 0.0295% (0.48 1.0 1.00 0.02 0.02) = 0.030% HB2 TYR 83 - HD2 PRO 86 5.556% * 0.0216% (0.35 1.0 1.00 0.02 0.02) = 0.022% HB2 TYR 83 - HD3 PRO 35 5.556% * 0.0211% (0.34 1.0 1.00 0.02 0.02) = 0.021% HB2 LYS+ 44 - HD2 PRO 116 5.556% * 0.0135% (0.22 1.0 1.00 0.02 0.02) = 0.014% HB2 LYS+ 44 - HD2 PRO 86 5.556% * 0.0099% (0.16 1.0 1.00 0.02 0.02) = 0.010% HB2 LYS+ 44 - HD3 PRO 35 5.556% * 0.0097% (0.16 1.0 1.00 0.02 0.02) = 0.010% Peak 1311 (2.30, 3.82, 51.00 ppm): 21 chemical-shift based assignments, quality = 0.687, support = 3.86, residual support = 25.7: O HB3 PRO 116 - HD3 PRO 116 4.762% * 49.7641% (0.93 10.0 1.00 3.30 16.46) = 49.764% kept * O HG2 PRO 112 - HD3 PRO 112 4.762% * 32.1472% (0.60 10.0 1.00 4.90 39.48) = 32.147% kept O HB3 PRO 86 - HD3 PRO 86 4.762% * 11.7166% (0.22 10.0 1.00 3.53 22.64) = 11.717% kept O HB3 PRO 112 - HD3 PRO 112 4.762% * 5.3884% (0.10 10.0 1.00 4.31 39.48) = 5.388% kept T HG2 PRO 112 - HD3 PRO 116 4.762% * 0.4654% (0.87 1.0 10.00 0.02 0.02) = 0.465% T HG2 PRO 112 - HD3 PRO 86 4.762% * 0.2207% (0.41 1.0 10.00 0.02 0.02) = 0.221% HG2 GLU- 64 - HD3 PRO 116 4.762% * 0.0507% (0.95 1.0 1.00 0.02 0.02) = 0.051% HG2 GLU- 64 - HD3 PRO 112 4.762% * 0.0350% (0.65 1.0 1.00 0.02 0.02) = 0.035% HB3 PRO 116 - HD3 PRO 112 4.762% * 0.0344% (0.64 1.0 1.00 0.02 0.02) = 0.034% HB3 PRO 86 - HD3 PRO 116 4.762% * 0.0247% (0.46 1.0 1.00 0.02 0.02) = 0.025% HG2 GLU- 64 - HD3 PRO 86 4.762% * 0.0240% (0.45 1.0 1.00 0.02 0.02) = 0.024% HB3 PRO 116 - HD3 PRO 86 4.762% * 0.0236% (0.44 1.0 1.00 0.02 0.02) = 0.024% HB2 LYS+ 44 - HD3 PRO 116 4.762% * 0.0228% (0.43 1.0 1.00 0.02 0.02) = 0.023% HB3 PRO 86 - HD3 PRO 112 4.762% * 0.0171% (0.32 1.0 1.00 0.02 0.02) = 0.017% HB2 LYS+ 44 - HD3 PRO 112 4.762% * 0.0157% (0.29 1.0 1.00 0.02 0.27) = 0.016% HB2 TYR 83 - HD3 PRO 116 4.762% * 0.0127% (0.24 1.0 1.00 0.02 0.02) = 0.013% HB2 LYS+ 44 - HD3 PRO 86 4.762% * 0.0108% (0.20 1.0 1.00 0.02 0.02) = 0.011% HB2 TYR 83 - HD3 PRO 112 4.762% * 0.0087% (0.16 1.0 1.00 0.02 0.02) = 0.009% HB3 PRO 112 - HD3 PRO 116 4.762% * 0.0078% (0.15 1.0 1.00 0.02 0.02) = 0.008% HB2 TYR 83 - HD3 PRO 86 4.762% * 0.0060% (0.11 1.0 1.00 0.02 0.02) = 0.006% HB3 PRO 112 - HD3 PRO 86 4.762% * 0.0037% (0.07 1.0 1.00 0.02 0.02) = 0.004% Peak 1312 (2.02, 3.81, 50.97 ppm): 45 chemical-shift based assignments, quality = 0.673, support = 3.56, residual support = 29.1: O T HG2 PRO 116 - HD3 PRO 116 2.222% * 40.0445% (0.84 10.0 10.00 4.31 16.46) = 40.045% kept O HG3 PRO 112 - HD3 PRO 112 2.222% * 32.4796% (0.70 10.0 1.00 1.93 39.48) = 32.480% kept * O HG2 PRO 112 - HD3 PRO 112 2.222% * 22.9074% (0.48 10.0 1.00 4.90 39.48) = 22.907% kept O T HG3 PRO 86 - HD3 PRO 86 2.222% * 2.6284% (0.05 10.0 10.00 3.38 22.64) = 2.628% kept T HG3 PRO 112 - HD3 PRO 116 2.222% * 0.3481% (0.73 1.0 10.00 0.02 0.02) = 0.348% T HG2 PRO 112 - HD3 PRO 116 2.222% * 0.2373% (0.50 1.0 10.00 0.02 0.02) = 0.237% T HG2 PRO 116 - HD3 PRO 86 2.222% * 0.1700% (0.35 1.0 10.00 0.02 0.02) = 0.170% T HG3 PRO 112 - HD3 PRO 86 2.222% * 0.1478% (0.31 1.0 10.00 0.02 0.02) = 0.148% T HG2 PRO 112 - HD3 PRO 86 2.222% * 0.1007% (0.21 1.0 10.00 0.02 0.02) = 0.101% T HG3 PRO 86 - HD3 PRO 116 2.222% * 0.0619% (0.13 1.0 10.00 0.02 0.02) = 0.062% HB3 GLU- 107 - HD3 PRO 116 2.222% * 0.0401% (0.84 1.0 1.00 0.02 0.02) = 0.040% HB3 GLU- 107 - HD3 PRO 112 2.222% * 0.0387% (0.81 1.0 1.00 0.02 0.02) = 0.039% HG2 PRO 116 - HD3 PRO 112 2.222% * 0.0387% (0.81 1.0 1.00 0.02 0.02) = 0.039% HB3 PRO 31 - HD3 PRO 116 2.222% * 0.0380% (0.79 1.0 1.00 0.02 0.02) = 0.038% HB3 PRO 31 - HD3 PRO 112 2.222% * 0.0366% (0.76 1.0 1.00 0.02 0.02) = 0.037% HB3 GLU- 64 - HD3 PRO 116 2.222% * 0.0360% (0.75 1.0 1.00 0.02 0.02) = 0.036% HB3 GLU- 10 - HD3 PRO 116 2.222% * 0.0360% (0.75 1.0 1.00 0.02 0.02) = 0.036% HB2 GLU- 18 - HD3 PRO 116 2.222% * 0.0360% (0.75 1.0 1.00 0.02 0.02) = 0.036% HB2 GLU- 18 - HD3 PRO 112 2.222% * 0.0347% (0.73 1.0 1.00 0.02 0.12) = 0.035% HB3 GLU- 10 - HD3 PRO 112 2.222% * 0.0347% (0.73 1.0 1.00 0.02 0.02) = 0.035% HB3 GLU- 64 - HD3 PRO 112 2.222% * 0.0347% (0.73 1.0 1.00 0.02 0.02) = 0.035% HB3 GLU- 54 - HD3 PRO 116 2.222% * 0.0321% (0.67 1.0 1.00 0.02 0.02) = 0.032% HB2 HIS+ 14 - HD3 PRO 116 2.222% * 0.0321% (0.67 1.0 1.00 0.02 0.02) = 0.032% HB3 MET 118 - HD3 PRO 116 2.222% * 0.0321% (0.67 1.0 1.00 0.02 0.02) = 0.032% HB3 GLU- 54 - HD3 PRO 112 2.222% * 0.0310% (0.65 1.0 1.00 0.02 0.12) = 0.031% HB2 HIS+ 14 - HD3 PRO 112 2.222% * 0.0310% (0.65 1.0 1.00 0.02 0.02) = 0.031% HB3 MET 118 - HD3 PRO 112 2.222% * 0.0310% (0.65 1.0 1.00 0.02 0.02) = 0.031% HG3 GLU- 64 - HD3 PRO 116 2.222% * 0.0307% (0.64 1.0 1.00 0.02 0.02) = 0.031% HG3 GLU- 64 - HD3 PRO 112 2.222% * 0.0296% (0.62 1.0 1.00 0.02 0.02) = 0.030% HB3 LYS+ 110 - HD3 PRO 116 2.222% * 0.0180% (0.38 1.0 1.00 0.02 0.02) = 0.018% HB3 LYS+ 110 - HD3 PRO 112 2.222% * 0.0174% (0.36 1.0 1.00 0.02 0.02) = 0.017% HB3 GLU- 107 - HD3 PRO 86 2.222% * 0.0170% (0.36 1.0 1.00 0.02 0.02) = 0.017% HB3 PRO 31 - HD3 PRO 86 2.222% * 0.0161% (0.34 1.0 1.00 0.02 0.02) = 0.016% HB3 GLU- 75 - HD3 PRO 116 2.222% * 0.0160% (0.33 1.0 1.00 0.02 0.02) = 0.016% HB3 GLU- 75 - HD3 PRO 112 2.222% * 0.0154% (0.32 1.0 1.00 0.02 0.30) = 0.015% HB3 GLU- 64 - HD3 PRO 86 2.222% * 0.0153% (0.32 1.0 1.00 0.02 0.02) = 0.015% HB3 GLU- 10 - HD3 PRO 86 2.222% * 0.0153% (0.32 1.0 1.00 0.02 0.02) = 0.015% HB2 GLU- 18 - HD3 PRO 86 2.222% * 0.0153% (0.32 1.0 1.00 0.02 0.02) = 0.015% HB3 GLU- 54 - HD3 PRO 86 2.222% * 0.0136% (0.28 1.0 1.00 0.02 0.02) = 0.014% HB3 MET 118 - HD3 PRO 86 2.222% * 0.0136% (0.28 1.0 1.00 0.02 0.02) = 0.014% HB2 HIS+ 14 - HD3 PRO 86 2.222% * 0.0136% (0.28 1.0 1.00 0.02 0.02) = 0.014% HG3 GLU- 64 - HD3 PRO 86 2.222% * 0.0130% (0.27 1.0 1.00 0.02 0.02) = 0.013% HB3 LYS+ 110 - HD3 PRO 86 2.222% * 0.0076% (0.16 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 75 - HD3 PRO 86 2.222% * 0.0068% (0.14 1.0 1.00 0.02 0.02) = 0.007% HG3 PRO 86 - HD3 PRO 112 2.222% * 0.0060% (0.12 1.0 1.00 0.02 0.02) = 0.006% Peak 1313 (1.99, 3.62, 50.80 ppm): 42 chemical-shift based assignments, quality = 0.443, support = 3.61, residual support = 31.7: * O T HG3 PRO 112 - HD2 PRO 112 2.381% * 39.3644% (0.54 10.0 10.00 3.66 39.48) = 39.364% kept O T HG2 PRO 112 - HD2 PRO 112 2.381% * 33.8609% (0.47 10.0 10.00 5.00 39.48) = 33.861% kept T HG3 PRO 104 - HD2 PRO 112 2.381% * 20.4900% (0.34 1.0 10.00 1.68 3.72) = 20.490% kept O HG3 PRO 104 - HD2 PRO 104 2.381% * 3.7511% (0.05 10.0 1.00 2.32 38.96) = 3.751% kept O HB3 PRO 31 - HD2 PRO 31 2.381% * 1.6108% (0.02 10.0 1.00 2.54 34.96) = 1.611% kept T HG2 PRO 116 - HD2 PRO 112 2.381% * 0.2214% (0.31 1.0 10.00 0.02 0.02) = 0.221% T HB3 GLU- 75 - HD2 PRO 112 2.381% * 0.1388% (0.19 1.0 10.00 0.02 0.30) = 0.139% HB2 LYS+ 108 - HD2 PRO 112 2.381% * 0.0563% (0.78 1.0 1.00 0.02 0.02) = 0.056% T HG2 PRO 112 - HD2 PRO 104 2.381% * 0.0521% (0.07 1.0 10.00 0.02 3.72) = 0.052% T HG2 PRO 112 - HD2 PRO 31 2.381% * 0.0480% (0.07 1.0 10.00 0.02 0.02) = 0.048% HB3 MET 118 - HD2 PRO 112 2.381% * 0.0446% (0.62 1.0 1.00 0.02 0.02) = 0.045% HB2 HIS+ 14 - HD2 PRO 112 2.381% * 0.0446% (0.62 1.0 1.00 0.02 0.02) = 0.045% HB2 PRO 86 - HD2 PRO 112 2.381% * 0.0446% (0.62 1.0 1.00 0.02 0.02) = 0.045% HB2 GLU- 18 - HD2 PRO 112 2.381% * 0.0367% (0.51 1.0 1.00 0.02 0.12) = 0.037% HB3 GLU- 56 - HD2 PRO 112 2.381% * 0.0316% (0.44 1.0 1.00 0.02 0.14) = 0.032% T HB3 GLU- 75 - HD2 PRO 104 2.381% * 0.0214% (0.03 1.0 10.00 0.02 0.02) = 0.021% HB3 GLU- 107 - HD2 PRO 112 2.381% * 0.0200% (0.28 1.0 1.00 0.02 0.02) = 0.020% HB VAL 73 - HD2 PRO 112 2.381% * 0.0200% (0.28 1.0 1.00 0.02 0.41) = 0.020% T HB3 GLU- 75 - HD2 PRO 31 2.381% * 0.0197% (0.03 1.0 10.00 0.02 0.02) = 0.020% HB3 PRO 31 - HD2 PRO 112 2.381% * 0.0114% (0.16 1.0 1.00 0.02 0.02) = 0.011% HB2 LYS+ 108 - HD2 PRO 104 2.381% * 0.0087% (0.12 1.0 1.00 0.02 0.02) = 0.009% HB2 LYS+ 108 - HD2 PRO 31 2.381% * 0.0080% (0.11 1.0 1.00 0.02 0.02) = 0.008% HB3 MET 118 - HD2 PRO 104 2.381% * 0.0069% (0.09 1.0 1.00 0.02 0.02) = 0.007% HB2 HIS+ 14 - HD2 PRO 104 2.381% * 0.0069% (0.09 1.0 1.00 0.02 0.02) = 0.007% HB2 PRO 86 - HD2 PRO 104 2.381% * 0.0069% (0.09 1.0 1.00 0.02 0.02) = 0.007% HB3 MET 118 - HD2 PRO 31 2.381% * 0.0063% (0.09 1.0 1.00 0.02 0.02) = 0.006% HB2 HIS+ 14 - HD2 PRO 31 2.381% * 0.0063% (0.09 1.0 1.00 0.02 0.02) = 0.006% HB2 PRO 86 - HD2 PRO 31 2.381% * 0.0063% (0.09 1.0 1.00 0.02 0.02) = 0.006% HG3 PRO 112 - HD2 PRO 104 2.381% * 0.0061% (0.08 1.0 1.00 0.02 3.72) = 0.006% HB2 GLU- 18 - HD2 PRO 104 2.381% * 0.0057% (0.08 1.0 1.00 0.02 0.02) = 0.006% HG3 PRO 112 - HD2 PRO 31 2.381% * 0.0056% (0.08 1.0 1.00 0.02 0.02) = 0.006% HB2 GLU- 18 - HD2 PRO 31 2.381% * 0.0052% (0.07 1.0 1.00 0.02 0.02) = 0.005% HB3 GLU- 56 - HD2 PRO 104 2.381% * 0.0049% (0.07 1.0 1.00 0.02 0.02) = 0.005% HB3 GLU- 56 - HD2 PRO 31 2.381% * 0.0045% (0.06 1.0 1.00 0.02 0.02) = 0.004% HG3 PRO 104 - HD2 PRO 31 2.381% * 0.0035% (0.05 1.0 1.00 0.02 0.02) = 0.003% HG2 PRO 116 - HD2 PRO 104 2.381% * 0.0034% (0.05 1.0 1.00 0.02 0.02) = 0.003% HG2 PRO 116 - HD2 PRO 31 2.381% * 0.0031% (0.04 1.0 1.00 0.02 0.02) = 0.003% HB3 GLU- 107 - HD2 PRO 104 2.381% * 0.0031% (0.04 1.0 1.00 0.02 0.02) = 0.003% HB VAL 73 - HD2 PRO 104 2.381% * 0.0031% (0.04 1.0 1.00 0.02 0.02) = 0.003% HB3 GLU- 107 - HD2 PRO 31 2.381% * 0.0028% (0.04 1.0 1.00 0.02 0.02) = 0.003% HB VAL 73 - HD2 PRO 31 2.381% * 0.0028% (0.04 1.0 1.00 0.02 0.02) = 0.003% HB3 PRO 31 - HD2 PRO 104 2.381% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 1314 (2.01, 2.01, 9.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1315 (1.96, 3.46, 50.97 ppm): 15 chemical-shift based assignments, quality = 0.789, support = 3.08, residual support = 34.6: * O T HG3 PRO 31 - HD3 PRO 31 6.667% * 98.9936% (0.80 10.0 10.00 3.11 34.96) = 98.994% kept HB VAL 13 - HD3 PRO 31 6.667% * 0.1185% (0.95 1.0 1.00 0.02 0.02) = 0.119% HG3 PRO 116 - HD3 PRO 31 6.667% * 0.1183% (0.95 1.0 1.00 0.02 0.02) = 0.118% HB2 PRO 35 - HD3 PRO 31 6.667% * 0.1162% (0.94 1.0 1.00 0.02 0.02) = 0.116% HB3 GLU- 109 - HD3 PRO 31 6.667% * 0.1162% (0.94 1.0 1.00 0.02 0.02) = 0.116% HB3 LYS+ 55 - HD3 PRO 31 6.667% * 0.0949% (0.76 1.0 1.00 0.02 0.02) = 0.095% HB VAL 73 - HD3 PRO 31 6.667% * 0.0767% (0.62 1.0 1.00 0.02 0.02) = 0.077% HB2 GLU- 75 - HD3 PRO 31 6.667% * 0.0719% (0.58 1.0 1.00 0.02 0.02) = 0.072% HG3 PRO 104 - HD3 PRO 31 6.667% * 0.0671% (0.54 1.0 1.00 0.02 0.02) = 0.067% HB3 GLU- 56 - HD3 PRO 31 6.667% * 0.0531% (0.43 1.0 1.00 0.02 0.02) = 0.053% HG2 PRO 112 - HD3 PRO 31 6.667% * 0.0492% (0.40 1.0 1.00 0.02 0.02) = 0.049% HB2 PRO 116 - HD3 PRO 31 6.667% * 0.0366% (0.29 1.0 1.00 0.02 0.02) = 0.037% HB2 GLU- 10 - HD3 PRO 31 6.667% * 0.0366% (0.29 1.0 1.00 0.02 0.02) = 0.037% HB2 PRO 86 - HD3 PRO 31 6.667% * 0.0330% (0.27 1.0 1.00 0.02 0.02) = 0.033% HB2 LYS+ 108 - HD3 PRO 31 6.667% * 0.0183% (0.15 1.0 1.00 0.02 0.02) = 0.018% Peak 1316 (1.78, 3.58, 50.95 ppm): 20 chemical-shift based assignments, quality = 0.938, support = 2.73, residual support = 34.0: * O T HG2 PRO 31 - HD2 PRO 31 5.000% * 97.2122% (0.97 10.0 10.00 2.81 34.96) = 97.212% kept T HG3 LYS+ 63 - HD2 PRO 31 5.000% * 0.9743% (0.97 1.0 10.00 0.02 0.02) = 0.974% HB3 GLU- 18 - HD2 PRO 31 5.000% * 0.8876% (0.74 1.0 1.00 0.24 0.02) = 0.888% T HG3 LYS+ 63 - HD2 PRO 104 5.000% * 0.1930% (0.19 1.0 10.00 0.02 0.02) = 0.193% T HG2 PRO 31 - HD2 PRO 104 5.000% * 0.1926% (0.19 1.0 10.00 0.02 0.02) = 0.193% HG3 ARG+ 53 - HD2 PRO 31 5.000% * 0.0940% (0.93 1.0 1.00 0.02 0.02) = 0.094% HB2 ARG+ 84 - HD2 PRO 31 5.000% * 0.0814% (0.81 1.0 1.00 0.02 0.02) = 0.081% HG2 ARG+ 84 - HD2 PRO 31 5.000% * 0.0780% (0.77 1.0 1.00 0.02 0.02) = 0.078% HB3 LYS+ 108 - HD2 PRO 31 5.000% * 0.0745% (0.74 1.0 1.00 0.02 0.02) = 0.074% HB3 LYS+ 63 - HD2 PRO 31 5.000% * 0.0745% (0.74 1.0 1.00 0.02 0.02) = 0.074% HB2 GLU- 109 - HD2 PRO 31 5.000% * 0.0193% (0.19 1.0 1.00 0.02 0.02) = 0.019% HG3 ARG+ 53 - HD2 PRO 104 5.000% * 0.0186% (0.18 1.0 1.00 0.02 0.02) = 0.019% HD3 PRO 59 - HD2 PRO 31 5.000% * 0.0171% (0.17 1.0 1.00 0.02 0.02) = 0.017% HB2 ARG+ 84 - HD2 PRO 104 5.000% * 0.0161% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG2 ARG+ 84 - HD2 PRO 104 5.000% * 0.0155% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB3 LYS+ 108 - HD2 PRO 104 5.000% * 0.0148% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB3 LYS+ 63 - HD2 PRO 104 5.000% * 0.0148% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB3 GLU- 18 - HD2 PRO 104 5.000% * 0.0148% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB2 GLU- 109 - HD2 PRO 104 5.000% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% HD3 PRO 59 - HD2 PRO 104 5.000% * 0.0034% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 1317 (1.78, 3.46, 50.99 ppm): 10 chemical-shift based assignments, quality = 0.786, support = 3.0, residual support = 33.7: * O T HG2 PRO 31 - HD3 PRO 31 10.000% * 96.2535% (0.80 10.0 10.00 3.11 34.96) = 96.253% kept HB3 GLU- 18 - HD3 PRO 31 10.000% * 2.2465% (0.89 1.0 1.00 0.42 0.02) = 2.246% kept T HG3 LYS+ 63 - HD3 PRO 31 10.000% * 0.9952% (0.82 1.0 10.00 0.02 0.02) = 0.995% HB2 ARG+ 84 - HD3 PRO 31 10.000% * 0.1100% (0.91 1.0 1.00 0.02 0.02) = 0.110% HG2 ARG+ 84 - HD3 PRO 31 10.000% * 0.1088% (0.90 1.0 1.00 0.02 0.02) = 0.109% HG3 ARG+ 53 - HD3 PRO 31 10.000% * 0.1088% (0.90 1.0 1.00 0.02 0.02) = 0.109% HB3 LYS+ 108 - HD3 PRO 31 10.000% * 0.0540% (0.45 1.0 1.00 0.02 0.02) = 0.054% HB3 LYS+ 63 - HD3 PRO 31 10.000% * 0.0540% (0.45 1.0 1.00 0.02 0.02) = 0.054% HD3 PRO 59 - HD3 PRO 31 10.000% * 0.0416% (0.34 1.0 1.00 0.02 0.02) = 0.042% HB2 LEU 17 - HD3 PRO 31 10.000% * 0.0277% (0.23 1.0 1.00 0.02 0.11) = 0.028% Peak 1320 (4.55, 3.75, 50.58 ppm): 4 chemical-shift based assignments, quality = 0.783, support = 2.05, residual support = 11.0: * O HA ALA 103 - HD3 PRO 104 25.000% * 99.8235% (0.78 10.0 2.05 11.06) = 99.824% kept HA LEU 17 - HD3 PRO 104 25.000% * 0.1236% (0.97 1.0 0.02 0.02) = 0.124% HA LYS+ 78 - HD3 PRO 104 25.000% * 0.0311% (0.24 1.0 0.02 0.02) = 0.031% HB THR 46 - HD3 PRO 104 25.000% * 0.0218% (0.17 1.0 0.02 0.02) = 0.022% Peak 1321 (4.57, 3.61, 50.61 ppm): 9 chemical-shift based assignments, quality = 0.29, support = 0.537, residual support = 0.206: HA LYS+ 78 - HD2 PRO 112 11.111% * 43.4864% (0.36 0.48 0.02) = 43.486% kept HA LYS+ 72 - HD2 PRO 112 11.111% * 41.8308% (0.22 0.75 0.46) = 41.831% kept HA LYS+ 78 - HD2 PRO 104 11.111% * 9.3322% (0.37 0.10 0.02) = 9.332% kept HA LEU 17 - HD2 PRO 31 11.111% * 2.1576% (0.03 0.27 0.11) = 2.158% kept HA LYS+ 72 - HD2 PRO 104 11.111% * 1.1296% (0.23 0.02 0.02) = 1.130% kept HA LEU 17 - HD2 PRO 104 11.111% * 0.6990% (0.14 0.02 0.02) = 0.699% HA LEU 17 - HD2 PRO 112 11.111% * 0.6902% (0.14 0.02 0.02) = 0.690% HA LYS+ 78 - HD2 PRO 31 11.111% * 0.4182% (0.08 0.02 0.02) = 0.418% HA LYS+ 72 - HD2 PRO 31 11.111% * 0.2559% (0.05 0.02 0.02) = 0.256% Reference assignment not found: HA ALA 103 - HD2 PRO 104 Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 1325 (3.62, 3.75, 50.58 ppm): 1 chemical-shift based assignment, quality = 0.89, support = 1.5, residual support = 3.72: HD2 PRO 112 - HD3 PRO 104 100.000% *100.0000% (0.89 1.50 3.72) = 100.000% kept Peak 1326 (1.96, 3.75, 50.63 ppm): 15 chemical-shift based assignments, quality = 0.54, support = 3.48, residual support = 37.2: * O HG3 PRO 104 - HD3 PRO 104 6.667% * 95.1053% (0.55 10.0 3.63 38.96) = 95.105% kept HG2 PRO 112 - HD3 PRO 104 6.667% * 3.4928% (0.41 1.0 1.00 3.72) = 3.493% kept HB VAL 13 - HD3 PRO 104 6.667% * 0.1680% (0.98 1.0 0.02 0.02) = 0.168% HG3 PRO 116 - HD3 PRO 104 6.667% * 0.1676% (0.97 1.0 0.02 0.02) = 0.168% HB2 PRO 35 - HD3 PRO 104 6.667% * 0.1647% (0.96 1.0 0.02 0.02) = 0.165% HB3 GLU- 109 - HD3 PRO 104 6.667% * 0.1647% (0.96 1.0 0.02 0.02) = 0.165% HG3 PRO 31 - HD3 PRO 104 6.667% * 0.1403% (0.82 1.0 0.02 0.02) = 0.140% HB3 LYS+ 55 - HD3 PRO 104 6.667% * 0.1345% (0.78 1.0 0.02 0.02) = 0.135% HB VAL 73 - HD3 PRO 104 6.667% * 0.1087% (0.63 1.0 0.02 0.02) = 0.109% HB2 GLU- 75 - HD3 PRO 104 6.667% * 0.1019% (0.59 1.0 0.02 0.02) = 0.102% HB3 GLU- 56 - HD3 PRO 104 6.667% * 0.0753% (0.44 1.0 0.02 0.02) = 0.075% HB2 PRO 116 - HD3 PRO 104 6.667% * 0.0518% (0.30 1.0 0.02 0.02) = 0.052% HB2 GLU- 10 - HD3 PRO 104 6.667% * 0.0518% (0.30 1.0 0.02 0.02) = 0.052% HB2 PRO 86 - HD3 PRO 104 6.667% * 0.0467% (0.27 1.0 0.02 0.02) = 0.047% HB2 LYS+ 108 - HD3 PRO 104 6.667% * 0.0259% (0.15 1.0 0.02 0.02) = 0.026% Peak 1327 (1.31, 3.75, 50.60 ppm): 4 chemical-shift based assignments, quality = 0.64, support = 3.23, residual support = 10.5: * T QB ALA 103 - HD3 PRO 104 25.000% * 95.0569% (0.63 10.00 3.38 11.06) = 95.057% kept QG2 THR 46 - HD3 PRO 104 25.000% * 3.5139% (0.96 1.00 0.48 0.02) = 3.514% kept HB2 ARG+ 22 - HD3 PRO 104 25.000% * 1.3740% (0.74 1.00 0.24 0.02) = 1.374% kept HB2 LYS+ 55 - HD3 PRO 104 25.000% * 0.0551% (0.36 1.00 0.02 0.02) = 0.055% Peak 1328 (1.32, 3.60, 50.59 ppm): 12 chemical-shift based assignments, quality = 0.339, support = 2.54, residual support = 9.06: * T QB ALA 103 - HD2 PRO 104 8.333% * 81.1733% (0.37 10.00 2.93 11.06) = 81.173% kept T QB ALA 103 - HD2 PRO 112 8.333% * 15.3405% (0.14 10.00 0.99 0.53) = 15.341% kept QG2 THR 46 - HD2 PRO 104 8.333% * 3.1459% (0.61 1.00 0.47 0.02) = 3.146% kept HB2 ARG+ 22 - HD2 PRO 104 8.333% * 0.1072% (0.49 1.00 0.02 0.02) = 0.107% QG2 THR 46 - HD2 PRO 112 8.333% * 0.0512% (0.23 1.00 0.02 0.02) = 0.051% HB2 LYS+ 55 - HD2 PRO 104 8.333% * 0.0457% (0.21 1.00 0.02 0.02) = 0.046% HB2 ARG+ 22 - HD2 PRO 112 8.333% * 0.0411% (0.19 1.00 0.02 0.02) = 0.041% QG2 THR 46 - HD2 PRO 31 8.333% * 0.0283% (0.13 1.00 0.02 0.02) = 0.028% HB2 ARG+ 22 - HD2 PRO 31 8.333% * 0.0227% (0.10 1.00 0.02 0.02) = 0.023% HB2 LYS+ 55 - HD2 PRO 112 8.333% * 0.0175% (0.08 1.00 0.02 0.68) = 0.017% QB ALA 103 - HD2 PRO 31 8.333% * 0.0172% (0.08 1.00 0.02 0.02) = 0.017% HB2 LYS+ 55 - HD2 PRO 31 8.333% * 0.0097% (0.04 1.00 0.02 0.02) = 0.010% Peak 1329 (4.36, 3.28, 50.25 ppm): 8 chemical-shift based assignments, quality = 0.766, support = 3.18, residual support = 16.6: * O T HA TRP 51 - HD2 PRO 52 12.500% * 98.5827% (0.78 10.0 10.00 3.23 16.86) = 98.583% kept T HA LYS+ 60 - HD2 PRO 52 12.500% * 0.9409% (0.74 1.0 10.00 0.02 0.02) = 0.941% HA2 GLY 26 - HD2 PRO 52 12.500% * 0.1228% (0.97 1.0 1.00 0.02 0.02) = 0.123% HB THR 61 - HD2 PRO 52 12.500% * 0.1188% (0.94 1.0 1.00 0.02 0.02) = 0.119% HA ALA 37 - HD2 PRO 52 12.500% * 0.0796% (0.63 1.0 1.00 0.02 0.02) = 0.080% HA SER 27 - HD2 PRO 52 12.500% * 0.0747% (0.59 1.0 1.00 0.02 0.02) = 0.075% HA ALA 91 - HD2 PRO 52 12.500% * 0.0462% (0.36 1.0 1.00 0.02 0.50) = 0.046% HA SER 88 - HD2 PRO 52 12.500% * 0.0342% (0.27 1.0 1.00 0.02 0.02) = 0.034% Peak 1330 (4.36, 1.87, 50.27 ppm): 8 chemical-shift based assignments, quality = 0.721, support = 2.93, residual support = 16.8: * O HA TRP 51 - HD3 PRO 52 12.500% * 99.4231% (0.72 10.0 2.95 16.86) = 99.423% kept HA2 GLY 26 - HD3 PRO 52 12.500% * 0.1342% (0.98 1.0 0.02 0.02) = 0.134% HB THR 61 - HD3 PRO 52 12.500% * 0.1264% (0.92 1.0 0.02 0.02) = 0.126% HA LYS+ 60 - HD3 PRO 52 12.500% * 0.0941% (0.69 1.0 0.02 0.02) = 0.094% HA ALA 37 - HD3 PRO 52 12.500% * 0.0775% (0.57 1.0 0.02 0.02) = 0.078% HA SER 27 - HD3 PRO 52 12.500% * 0.0720% (0.53 1.0 0.02 0.02) = 0.072% HA ALA 91 - HD3 PRO 52 12.500% * 0.0423% (0.31 1.0 0.02 0.50) = 0.042% HA SER 88 - HD3 PRO 52 12.500% * 0.0305% (0.22 1.0 0.02 0.02) = 0.030% Peak 1332 (3.28, 3.27, 50.25 ppm): 1 diagonal assignment: * HD2 PRO 52 - HD2 PRO 52 (0.48) kept Peak 1334 (1.88, 3.28, 50.27 ppm): 14 chemical-shift based assignments, quality = 0.908, support = 4.38, residual support = 114.3: O HD3 PRO 52 - HD2 PRO 52 7.143% * 94.7001% (0.95 10.0 4.43 119.56) = 94.700% kept HB3 ARG+ 53 - HD2 PRO 52 7.143% * 4.6284% (0.24 1.0 3.84 23.27) = 4.628% kept HG2 PRO 112 - HD2 PRO 52 7.143% * 0.1320% (0.22 1.0 0.12 0.02) = 0.132% HG3 LYS+ 120 - HD2 PRO 52 7.143% * 0.0947% (0.95 1.0 0.02 0.02) = 0.095% HB3 ARG+ 84 - HD2 PRO 52 7.143% * 0.0932% (0.93 1.0 0.02 0.02) = 0.093% HG2 GLU- 18 - HD2 PRO 52 7.143% * 0.0586% (0.59 1.0 0.02 0.02) = 0.059% HB3 GLN 16 - HD2 PRO 52 7.143% * 0.0586% (0.59 1.0 0.02 0.12) = 0.059% HD2 PRO 59 - HD2 PRO 52 7.143% * 0.0508% (0.51 1.0 0.02 0.02) = 0.051% HB VAL 94 - HD2 PRO 52 7.143% * 0.0470% (0.47 1.0 0.02 0.02) = 0.047% HB3 CYS 123 - HD2 PRO 52 7.143% * 0.0363% (0.36 1.0 0.02 0.02) = 0.036% HB2 PRO 112 - HD2 PRO 52 7.143% * 0.0278% (0.28 1.0 0.02 0.02) = 0.028% HB2 PRO 104 - HD2 PRO 52 7.143% * 0.0269% (0.27 1.0 0.02 0.02) = 0.027% HB3 LYS+ 72 - HD2 PRO 52 7.143% * 0.0241% (0.24 1.0 0.02 0.02) = 0.024% HB3 LYS+ 60 - HD2 PRO 52 7.143% * 0.0215% (0.22 1.0 0.02 0.02) = 0.022% Peak 1335 (1.87, 1.87, 50.25 ppm): 1 diagonal assignment: * HD3 PRO 52 - HD3 PRO 52 (0.98) kept Peak 1336 (1.69, 3.29, 50.26 ppm): 8 chemical-shift based assignments, quality = 0.966, support = 4.98, residual support = 119.2: O T HG2 PRO 52 - HD2 PRO 52 12.500% * 99.6906% (0.97 10.0 10.00 4.99 119.56) = 99.691% kept HG13 ILE 19 - HD2 PRO 52 12.500% * 0.0912% (0.89 1.0 1.00 0.02 0.02) = 0.091% HD3 LYS+ 55 - HD2 PRO 52 12.500% * 0.0814% (0.79 1.0 1.00 0.02 2.54) = 0.081% HB3 LYS+ 81 - HD2 PRO 52 12.500% * 0.0418% (0.41 1.0 1.00 0.02 0.02) = 0.042% HB3 MET 126 - HD2 PRO 52 12.500% * 0.0283% (0.27 1.0 1.00 0.02 0.02) = 0.028% HB2 GLN 16 - HD2 PRO 52 12.500% * 0.0283% (0.27 1.0 1.00 0.02 0.12) = 0.028% HB3 MET 97 - HD2 PRO 52 12.500% * 0.0226% (0.22 1.0 1.00 0.02 0.02) = 0.023% HB ILE 100 - HD2 PRO 52 12.500% * 0.0157% (0.15 1.0 1.00 0.02 0.02) = 0.016% Peak 1338 (1.47, 3.28, 50.26 ppm): 7 chemical-shift based assignments, quality = 0.932, support = 4.5, residual support = 116.4: O T HG3 PRO 52 - HD2 PRO 52 14.286% * 97.3406% (0.94 10.0 10.00 4.61 119.56) = 97.341% kept HB3 LEU 67 - HD2 PRO 52 14.286% * 1.7632% (0.97 1.0 1.00 0.35 0.14) = 1.763% kept T HG2 PRO 59 - HD2 PRO 52 14.286% * 0.6118% (0.59 1.0 10.00 0.02 0.02) = 0.612% HG13 ILE 48 - HD2 PRO 52 14.286% * 0.0808% (0.78 1.0 1.00 0.02 0.02) = 0.081% HB3 LYS+ 44 - HD2 PRO 52 14.286% * 0.0732% (0.71 1.0 1.00 0.02 0.02) = 0.073% QB ALA 70 - HD2 PRO 52 14.286% * 0.0693% (0.67 1.0 1.00 0.02 0.02) = 0.069% HG3 LYS+ 60 - HD2 PRO 52 14.286% * 0.0612% (0.59 1.0 1.00 0.02 0.02) = 0.061% Peak 1340 (4.10, 3.59, 50.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1351 (2.80, 1.75, 47.62 ppm): 6 chemical-shift based assignments, quality = 0.641, support = 3.15, residual support = 17.8: * O HA2 GLY 58 - HD3 PRO 59 16.667% * 99.6749% (0.64 10.0 3.16 17.89) = 99.675% kept HE3 LYS+ 32 - HD3 PRO 59 16.667% * 0.0968% (0.63 1.0 0.02 0.02) = 0.097% HE3 LYS+ 111 - HD3 PRO 59 16.667% * 0.0784% (0.51 1.0 0.02 0.02) = 0.078% HB2 ASN 119 - HD3 PRO 59 16.667% * 0.0699% (0.45 1.0 0.02 0.02) = 0.070% HB3 ASN 89 - HD3 PRO 59 16.667% * 0.0611% (0.39 1.0 0.02 0.02) = 0.061% HB3 ASN 119 - HD3 PRO 59 16.667% * 0.0189% (0.12 1.0 0.02 0.02) = 0.019% Peak 1363 (1.46, 1.47, 46.81 ppm): 1 diagonal assignment: * HB3 LEU 67 - HB3 LEU 67 (0.84) kept Peak 1364 (1.46, 1.21, 46.81 ppm): 11 chemical-shift based assignments, quality = 0.747, support = 3.98, residual support = 100.8: * O T HB3 LEU 67 - HB2 LEU 67 9.091% * 87.6254% (0.74 10.0 10.00 4.40 115.02) = 87.625% kept HG3 PRO 52 - HB2 LEU 67 9.091% * 6.2514% (0.79 1.0 1.00 1.34 0.14) = 6.251% kept HG2 PRO 59 - HB2 LEU 67 9.091% * 4.4578% (0.81 1.0 1.00 0.93 0.80) = 4.458% kept HG3 LYS+ 60 - HB2 LEU 67 9.091% * 1.4097% (0.81 1.0 1.00 0.30 0.02) = 1.410% kept HG13 ILE 48 - HB2 LEU 67 9.091% * 0.1010% (0.86 1.0 1.00 0.02 0.17) = 0.101% HG LEU 90 - HB2 LEU 67 9.091% * 0.0379% (0.32 1.0 1.00 0.02 0.02) = 0.038% HB3 LYS+ 44 - HB2 LEU 67 9.091% * 0.0345% (0.29 1.0 1.00 0.02 0.80) = 0.034% QB ALA 70 - HB2 LEU 67 9.091% * 0.0312% (0.26 1.0 1.00 0.02 0.02) = 0.031% HG3 LYS+ 113 - HB2 LEU 67 9.091% * 0.0200% (0.17 1.0 1.00 0.02 0.02) = 0.020% HG3 LYS+ 55 - HB2 LEU 67 9.091% * 0.0156% (0.13 1.0 1.00 0.02 0.02) = 0.016% HG3 ARG+ 22 - HB2 LEU 67 9.091% * 0.0156% (0.13 1.0 1.00 0.02 0.32) = 0.016% Peak 1365 (1.21, 1.47, 46.80 ppm): 3 chemical-shift based assignments, quality = 0.889, support = 4.39, residual support = 114.8: * O T HB2 LEU 67 - HB3 LEU 67 33.333% * 99.8366% (0.89 10.0 10.00 4.40 115.02) = 99.837% kept HB3 ARG+ 22 - HB3 LEU 67 33.333% * 0.0947% (0.84 1.0 1.00 0.02 0.32) = 0.095% HG12 ILE 100 - HB3 LEU 67 33.333% * 0.0687% (0.61 1.0 1.00 0.02 8.65) = 0.069% Peak 1366 (1.21, 1.21, 46.81 ppm): 1 diagonal assignment: * HB2 LEU 67 - HB2 LEU 67 (0.89) kept Peak 1367 (0.85, 1.21, 46.82 ppm): 8 chemical-shift based assignments, quality = 0.813, support = 0.415, residual support = 0.163: QG2 VAL 13 - HB2 LEU 67 12.500% * 87.0244% (0.86 0.47 0.02) = 87.024% kept HG2 LYS+ 117 - HB2 LEU 67 12.500% * 3.0969% (0.73 0.02 0.02) = 3.097% kept QD1 ILE 29 - HB2 LEU 67 12.500% * 2.2488% (0.53 0.02 0.02) = 2.249% kept QG1 VAL 13 - HB2 LEU 67 12.500% * 2.2488% (0.53 0.02 0.02) = 2.249% kept QD1 LEU 90 - HB2 LEU 67 12.500% * 1.8047% (0.42 0.02 0.02) = 1.805% kept QG2 ILE 100 - HB2 LEU 67 12.500% * 1.6623% (0.39 0.02 8.65) = 1.662% kept QG1 VAL 94 - HB2 LEU 67 12.500% * 1.2647% (0.30 0.02 0.02) = 1.265% kept QD2 LEU 17 - HB2 LEU 67 12.500% * 0.6493% (0.15 0.02 0.02) = 0.649% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 1368 (0.80, 1.47, 46.84 ppm): 5 chemical-shift based assignments, quality = 0.72, support = 3.95, residual support = 110.2: * O T QD2 LEU 67 - HB3 LEU 67 20.000% * 95.5365% (0.72 10.0 10.00 4.11 115.02) = 95.536% kept QD1 ILE 100 - HB3 LEU 67 20.000% * 3.3345% (0.77 1.0 1.00 0.66 8.65) = 3.334% kept QD2 LEU 17 - HB3 LEU 67 20.000% * 1.0316% (0.41 1.0 1.00 0.38 0.02) = 1.032% kept QD2 LEU 90 - HB3 LEU 67 20.000% * 0.0668% (0.51 1.0 1.00 0.02 0.02) = 0.067% QG1 VAL 94 - HB3 LEU 67 20.000% * 0.0306% (0.23 1.0 1.00 0.02 0.02) = 0.031% Peak 1371 (4.14, 3.46, 45.43 ppm): 9 chemical-shift based assignments, quality = 0.253, support = 1.99, residual support = 15.2: * O T HA2 GLY 71 - HA1 GLY 71 11.111% * 99.4995% (0.25 10.0 10.00 2.00 15.29) = 99.499% kept HB3 SER 49 - HA1 GLY 71 11.111% * 0.0986% (0.25 1.0 1.00 0.02 0.02) = 0.099% HA LYS+ 110 - HA1 GLY 71 11.111% * 0.0977% (0.25 1.0 1.00 0.02 0.02) = 0.098% HB2 SER 88 - HA1 GLY 71 11.111% * 0.0943% (0.24 1.0 1.00 0.02 0.02) = 0.094% HA ARG+ 53 - HA1 GLY 71 11.111% * 0.0799% (0.20 1.0 1.00 0.02 0.02) = 0.080% HA VAL 87 - HA1 GLY 71 11.111% * 0.0605% (0.15 1.0 1.00 0.02 0.02) = 0.060% HB THR 106 - HA1 GLY 71 11.111% * 0.0249% (0.06 1.0 1.00 0.02 0.02) = 0.025% HA VAL 105 - HA1 GLY 71 11.111% * 0.0249% (0.06 1.0 1.00 0.02 0.02) = 0.025% HA THR 46 - HA1 GLY 71 11.111% * 0.0197% (0.05 1.0 1.00 0.02 0.02) = 0.020% Peak 1372 (3.46, 4.14, 45.43 ppm): 6 chemical-shift based assignments, quality = 0.268, support = 1.99, residual support = 15.2: * O T HA1 GLY 71 - HA2 GLY 71 16.667% * 99.6942% (0.27 10.0 10.00 2.00 15.29) = 99.694% kept HD3 PRO 31 - HA2 GLY 71 16.667% * 0.0997% (0.27 1.0 1.00 0.02 0.02) = 0.100% HA VAL 80 - HA2 GLY 71 16.667% * 0.0805% (0.22 1.0 1.00 0.02 0.02) = 0.081% HA VAL 40 - HA2 GLY 71 16.667% * 0.0769% (0.21 1.0 1.00 0.02 0.02) = 0.077% HA VAL 62 - HA2 GLY 71 16.667% * 0.0310% (0.08 1.0 1.00 0.02 0.24) = 0.031% HA1 GLY 30 - HA2 GLY 71 16.667% * 0.0176% (0.05 1.0 1.00 0.02 0.02) = 0.018% Peak 1374 (8.99, 1.74, 45.39 ppm): 2 chemical-shift based assignments, quality = 0.461, support = 2.65, residual support = 11.8: HN ILE 19 - HB2 LEU 17 50.000% * 84.7427% (0.51 2.89 13.76) = 84.743% kept HN MET 97 - HB2 LEU 17 50.000% * 15.2573% (0.20 1.32 0.94) = 15.257% kept Reference assignment not found: HN LEU 17 - HB2 LEU 17 Peak 1375 (8.99, 1.35, 45.37 ppm): 2 chemical-shift based assignments, quality = 0.481, support = 2.6, residual support = 11.4: HN ILE 19 - HB3 LEU 17 50.000% * 81.7043% (0.54 2.83 13.76) = 81.704% kept HN MET 97 - HB3 LEU 17 50.000% * 18.2957% (0.21 1.61 0.94) = 18.296% kept Reference assignment not found: HN LEU 17 - HB3 LEU 17 Peak 1376 (8.46, 3.98, 45.56 ppm): 14 chemical-shift based assignments, quality = 0.476, support = 1.7, residual support = 7.53: * O HN GLY 92 - HA1 GLY 92 7.143% * 98.1301% (0.48 10.0 1.73 7.67) = 98.130% kept HN GLU- 18 - HA1 GLY 92 7.143% * 1.4500% (0.23 1.0 0.54 0.02) = 1.450% kept HN GLU- 107 - HA1 GLY 92 7.143% * 0.1298% (0.55 1.0 0.02 0.02) = 0.130% HN LEU 74 - HA1 GLY 92 7.143% * 0.0951% (0.40 1.0 0.02 0.25) = 0.095% HN LYS+ 113 - HA1 GLY 92 7.143% * 0.0689% (0.29 1.0 0.02 0.02) = 0.069% HN GLU- 10 - HA1 GLY 92 7.143% * 0.0326% (0.14 1.0 0.02 0.02) = 0.033% HN GLU- 107 - HA1 GLY 114 7.143% * 0.0193% (0.08 1.0 0.02 0.02) = 0.019% HN ARG+ 53 - HA1 GLY 92 7.143% * 0.0177% (0.08 1.0 0.02 0.02) = 0.018% HN GLY 92 - HA1 GLY 114 7.143% * 0.0169% (0.07 1.0 0.02 0.02) = 0.017% HN LEU 74 - HA1 GLY 114 7.143% * 0.0141% (0.06 1.0 0.02 0.02) = 0.014% HN LYS+ 113 - HA1 GLY 114 7.143% * 0.0102% (0.04 1.0 0.02 0.02) = 0.010% HN GLU- 18 - HA1 GLY 114 7.143% * 0.0080% (0.03 1.0 0.02 0.02) = 0.008% HN GLU- 10 - HA1 GLY 114 7.143% * 0.0048% (0.02 1.0 0.02 0.02) = 0.005% HN ARG+ 53 - HA1 GLY 114 7.143% * 0.0026% (0.01 1.0 0.02 0.02) = 0.003% Peak 1377 (8.39, 4.13, 45.43 ppm): 2 chemical-shift based assignments, quality = 0.128, support = 3.09, residual support = 15.3: * O HN GLY 71 - HA2 GLY 71 50.000% * 99.9543% (0.13 10.0 3.09 15.29) = 99.954% kept HN LYS+ 108 - HA2 GLY 71 50.000% * 0.0457% (0.06 1.0 0.02 0.02) = 0.046% Peak 1378 (8.38, 3.46, 45.56 ppm): 3 chemical-shift based assignments, quality = 0.352, support = 3.11, residual support = 15.3: * O HN GLY 71 - HA1 GLY 71 33.333% * 99.9269% (0.35 10.0 3.11 15.29) = 99.927% kept HN LYS+ 108 - HA1 GLY 71 33.333% * 0.0509% (0.18 1.0 0.02 0.02) = 0.051% HN ALA 103 - HA1 GLY 71 33.333% * 0.0223% (0.08 1.0 0.02 0.02) = 0.022% Peak 1379 (8.30, 2.39, 45.43 ppm): 6 chemical-shift based assignments, quality = 0.714, support = 3.65, residual support = 36.5: * O HN ASP- 28 - HB3 ASP- 28 16.667% * 96.4419% (0.71 10.0 3.77 37.87) = 96.442% kept HN ALA 91 - HB3 ASP- 28 16.667% * 2.8582% (0.98 1.0 0.43 0.02) = 2.858% kept HN VAL 99 - HB3 ASP- 28 16.667% * 0.5840% (0.63 1.0 0.14 0.44) = 0.584% HN ASN 89 - HB3 ASP- 28 16.667% * 0.0453% (0.33 1.0 0.02 0.02) = 0.045% HN ASN 76 - HB3 ASP- 28 16.667% * 0.0410% (0.30 1.0 0.02 0.02) = 0.041% HN GLY 114 - HB3 ASP- 28 16.667% * 0.0296% (0.22 1.0 0.02 0.02) = 0.030% Peak 1380 (8.14, 4.36, 45.48 ppm): 4 chemical-shift based assignments, quality = 0.151, support = 2.52, residual support = 13.4: * O HN GLY 26 - HA2 GLY 26 25.000% * 98.7334% (0.15 10.0 2.55 13.55) = 98.733% kept HN SER 41 - HA2 GLY 26 25.000% * 1.0232% (0.10 1.0 0.31 0.02) = 1.023% kept HN SER 77 - HA2 GLY 26 25.000% * 0.1835% (0.28 1.0 0.02 0.02) = 0.184% HN SER 88 - HA2 GLY 26 25.000% * 0.0599% (0.09 1.0 0.02 0.02) = 0.060% Peak 1381 (8.13, 3.53, 45.30 ppm): 3 chemical-shift based assignments, quality = 0.598, support = 2.44, residual support = 13.5: * O HN GLY 26 - HA1 GLY 26 33.333% * 99.8585% (0.60 10.0 2.44 13.55) = 99.858% kept HN SER 88 - HA1 GLY 26 33.333% * 0.0708% (0.42 1.0 0.02 0.02) = 0.071% HN SER 77 - HA1 GLY 26 33.333% * 0.0708% (0.42 1.0 0.02 0.02) = 0.071% Peak 1382 (5.98, 2.38, 45.39 ppm): 1 chemical-shift based assignment, quality = 0.817, support = 3.45, residual support = 37.9: * O T HA ASP- 28 - HB3 ASP- 28 100.000% *100.0000% (0.82 10.0 10.00 3.45 37.87) = 100.000% kept Peak 1383 (5.98, 2.13, 45.42 ppm): 1 chemical-shift based assignment, quality = 0.889, support = 3.0, residual support = 37.9: * O T HA ASP- 28 - HB2 ASP- 28 100.000% *100.0000% (0.89 10.0 10.00 3.00 37.87) = 100.000% kept Peak 1384 (4.55, 1.75, 45.36 ppm): 4 chemical-shift based assignments, quality = 0.992, support = 5.07, residual support = 88.4: * O HA LEU 17 - HB2 LEU 17 25.000% * 99.8802% (0.99 10.0 5.08 88.51) = 99.880% kept HA ALA 103 - HB2 LEU 17 25.000% * 0.0765% (0.76 1.0 0.02 0.02) = 0.077% HA LYS+ 78 - HB2 LEU 17 25.000% * 0.0278% (0.28 1.0 0.02 0.02) = 0.028% HB THR 46 - HB2 LEU 17 25.000% * 0.0154% (0.15 1.0 0.02 0.02) = 0.015% Peak 1385 (4.55, 1.35, 45.38 ppm): 4 chemical-shift based assignments, quality = 0.834, support = 5.1, residual support = 87.7: * O HA LEU 17 - HB3 LEU 17 25.000% * 99.0870% (0.84 10.0 5.15 88.51) = 99.087% kept HA LYS+ 78 - HB3 LEU 17 25.000% * 0.8464% (0.53 1.0 0.27 0.02) = 0.846% HA ALA 103 - HB3 LEU 17 25.000% * 0.0495% (0.42 1.0 0.02 0.02) = 0.050% HA LYS+ 72 - HB3 LEU 17 25.000% * 0.0170% (0.14 1.0 0.02 0.02) = 0.017% Peak 1386 (4.36, 4.36, 45.30 ppm): 1 diagonal assignment: * HA2 GLY 26 - HA2 GLY 26 (0.82) kept Peak 1387 (4.13, 4.13, 45.48 ppm): 1 diagonal assignment: * HA2 GLY 71 - HA2 GLY 71 (0.38) kept Peak 1388 (3.84, 3.83, 45.44 ppm): 2 diagonal assignments: * HA2 GLY 92 - HA2 GLY 92 (0.18) kept HA2 GLY 114 - HA2 GLY 114 (0.06) kept Peak 1389 (3.54, 4.36, 45.29 ppm): 3 chemical-shift based assignments, quality = 0.886, support = 1.93, residual support = 13.5: * O T HA1 GLY 26 - HA2 GLY 26 33.333% * 99.8580% (0.89 10.0 10.00 1.93 13.55) = 99.858% kept HA LYS+ 44 - HA2 GLY 26 33.333% * 0.0930% (0.83 1.0 1.00 0.02 0.02) = 0.093% HB2 SER 69 - HA2 GLY 26 33.333% * 0.0490% (0.44 1.0 1.00 0.02 0.02) = 0.049% Peak 1390 (3.47, 3.46, 45.57 ppm): 1 diagonal assignment: * HA1 GLY 71 - HA1 GLY 71 (0.62) kept Peak 1391 (2.38, 2.38, 45.42 ppm): 1 diagonal assignment: * HB3 ASP- 28 - HB3 ASP- 28 (0.83) kept Peak 1392 (2.38, 2.13, 45.42 ppm): 6 chemical-shift based assignments, quality = 0.842, support = 2.42, residual support = 24.4: * O T HB3 ASP- 28 - HB2 ASP- 28 16.667% * 64.3383% (0.87 10.0 10.00 3.42 37.87) = 64.338% kept T HG2 PRO 112 - HB2 ASP- 28 16.667% * 18.4765% (0.67 1.0 10.00 0.74 0.02) = 18.477% kept T HB2 LYS+ 78 - HB2 ASP- 28 16.667% * 17.0931% (0.94 1.0 10.00 0.49 0.47) = 17.093% kept HB3 GLU- 50 - HB2 ASP- 28 16.667% * 0.0605% (0.81 1.0 1.00 0.02 0.02) = 0.060% HG3 GLU- 50 - HB2 ASP- 28 16.667% * 0.0194% (0.26 1.0 1.00 0.02 0.02) = 0.019% HB2 GLU- 64 - HB2 ASP- 28 16.667% * 0.0122% (0.16 1.0 1.00 0.02 0.02) = 0.012% Peak 1393 (2.13, 2.38, 45.41 ppm): 11 chemical-shift based assignments, quality = 0.914, support = 3.27, residual support = 35.8: * O T HB2 ASP- 28 - HB3 ASP- 28 9.091% * 94.6684% (0.93 10.0 10.00 3.42 37.87) = 94.668% kept HG2 PRO 112 - HB3 ASP- 28 9.091% * 4.0694% (0.85 1.0 1.00 0.94 0.02) = 4.069% kept HB3 LYS+ 78 - HB3 ASP- 28 9.091% * 0.8424% (0.61 1.0 1.00 0.27 0.47) = 0.842% HG2 GLU- 45 - HB3 ASP- 28 9.091% * 0.0882% (0.87 1.0 1.00 0.02 0.02) = 0.088% HB3 GLU- 75 - HB3 ASP- 28 9.091% * 0.0759% (0.74 1.0 1.00 0.02 0.02) = 0.076% HB VAL 105 - HB3 ASP- 28 9.091% * 0.0730% (0.72 1.0 1.00 0.02 0.02) = 0.073% HB2 GLU- 56 - HB3 ASP- 28 9.091% * 0.0503% (0.49 1.0 1.00 0.02 0.02) = 0.050% HB VAL 87 - HB3 ASP- 28 9.091% * 0.0465% (0.46 1.0 1.00 0.02 0.02) = 0.046% HB VAL 47 - HB3 ASP- 28 9.091% * 0.0465% (0.46 1.0 1.00 0.02 0.02) = 0.046% HB3 LEU 43 - HB3 ASP- 28 9.091% * 0.0266% (0.26 1.0 1.00 0.02 0.02) = 0.027% HG2 PRO 104 - HB3 ASP- 28 9.091% * 0.0129% (0.13 1.0 1.00 0.02 0.02) = 0.013% Peak 1394 (2.13, 2.13, 45.41 ppm): 1 diagonal assignment: * HB2 ASP- 28 - HB2 ASP- 28 (0.91) kept Peak 1395 (1.75, 1.75, 45.38 ppm): 1 diagonal assignment: * HB2 LEU 17 - HB2 LEU 17 (0.99) kept Peak 1396 (1.75, 1.36, 45.38 ppm): 8 chemical-shift based assignments, quality = 0.906, support = 5.59, residual support = 83.8: * O T HB2 LEU 17 - HB3 LEU 17 12.500% * 92.6374% (0.95 10.0 10.00 5.77 88.51) = 92.637% kept HB3 GLU- 18 - HB3 LEU 17 12.500% * 5.5947% (0.27 1.0 1.00 4.26 33.07) = 5.595% kept HB3 LEU 23 - HB3 LEU 17 12.500% * 1.4684% (0.91 1.0 1.00 0.33 0.13) = 1.468% kept HB2 LYS+ 117 - HB3 LEU 17 12.500% * 0.0912% (0.93 1.0 1.00 0.02 0.02) = 0.091% HD3 PRO 59 - HB3 LEU 17 12.500% * 0.0848% (0.87 1.0 1.00 0.02 0.02) = 0.085% HB ILE 48 - HB3 LEU 17 12.500% * 0.0789% (0.81 1.0 1.00 0.02 0.02) = 0.079% HG2 ARG+ 84 - HB3 LEU 17 12.500% * 0.0236% (0.24 1.0 1.00 0.02 1.76) = 0.024% HB2 ARG+ 84 - HB3 LEU 17 12.500% * 0.0210% (0.22 1.0 1.00 0.02 1.76) = 0.021% Peak 1397 (1.59, 1.75, 45.36 ppm): 10 chemical-shift based assignments, quality = 0.521, support = 4.25, residual support = 73.6: * O HG LEU 17 - HB2 LEU 17 10.000% * 81.3830% (0.49 10.0 4.82 88.51) = 81.383% kept HB ILE 19 - HB2 LEU 17 10.000% * 11.1019% (0.53 1.0 2.52 13.76) = 11.102% kept HB3 LYS+ 32 - HB2 LEU 17 10.000% * 5.8404% (1.00 1.0 0.70 0.59) = 5.840% kept HD3 LYS+ 32 - HB2 LEU 17 10.000% * 1.3590% (0.65 1.0 0.25 0.59) = 1.359% kept HB3 PRO 52 - HB2 LEU 17 10.000% * 0.0814% (0.49 1.0 0.02 2.64) = 0.081% HD3 LYS+ 60 - HB2 LEU 17 10.000% * 0.0687% (0.41 1.0 0.02 0.02) = 0.069% HD3 LYS+ 81 - HB2 LEU 17 10.000% * 0.0570% (0.34 1.0 0.02 0.02) = 0.057% HG2 LYS+ 110 - HB2 LEU 17 10.000% * 0.0570% (0.34 1.0 0.02 0.02) = 0.057% HG12 ILE 29 - HB2 LEU 17 10.000% * 0.0258% (0.15 1.0 0.02 17.13) = 0.026% QB ALA 42 - HB2 LEU 17 10.000% * 0.0258% (0.15 1.0 0.02 0.02) = 0.026% Peak 1398 (1.58, 1.36, 45.39 ppm): 12 chemical-shift based assignments, quality = 0.742, support = 4.56, residual support = 78.3: * O HG LEU 17 - HB3 LEU 17 8.333% * 86.7888% (0.75 10.0 4.94 88.51) = 86.789% kept HB ILE 19 - HB3 LEU 17 8.333% * 11.0306% (0.79 1.0 2.43 13.76) = 11.031% kept HB3 LEU 90 - HB3 LEU 17 8.333% * 1.3376% (0.27 1.0 0.85 0.17) = 1.338% kept QB ALA 42 - HB3 LEU 17 8.333% * 0.4480% (0.34 1.0 0.23 0.02) = 0.448% HB3 LYS+ 32 - HB3 LEU 17 8.333% * 0.0985% (0.85 1.0 0.02 0.59) = 0.099% HD3 LYS+ 60 - HB3 LEU 17 8.333% * 0.0780% (0.67 1.0 0.02 0.02) = 0.078% HD3 LYS+ 81 - HB3 LEU 17 8.333% * 0.0689% (0.60 1.0 0.02 0.02) = 0.069% HD3 LYS+ 32 - HB3 LEU 17 8.333% * 0.0426% (0.37 1.0 0.02 0.59) = 0.043% HG12 ILE 29 - HB3 LEU 17 8.333% * 0.0387% (0.34 1.0 0.02 17.13) = 0.039% HB3 PRO 52 - HB3 LEU 17 8.333% * 0.0283% (0.24 1.0 0.02 2.64) = 0.028% HG13 ILE 29 - HB3 LEU 17 8.333% * 0.0225% (0.19 1.0 0.02 17.13) = 0.022% HG2 LYS+ 110 - HB3 LEU 17 8.333% * 0.0175% (0.15 1.0 0.02 0.02) = 0.018% Peak 1399 (1.36, 1.75, 45.38 ppm): 7 chemical-shift based assignments, quality = 0.977, support = 5.51, residual support = 83.6: * O T HB3 LEU 17 - HB2 LEU 17 14.286% * 94.3765% (0.98 10.0 10.00 5.77 88.51) = 94.376% kept HB3 LYS+ 20 - HB2 LEU 17 14.286% * 5.3025% (0.95 1.0 1.00 1.16 1.09) = 5.303% kept HG3 LYS+ 81 - HB2 LEU 17 14.286% * 0.0913% (0.95 1.0 1.00 0.02 0.02) = 0.091% QB ALA 11 - HB2 LEU 17 14.286% * 0.0895% (0.93 1.0 1.00 0.02 0.02) = 0.089% HG2 LYS+ 78 - HB2 LEU 17 14.286% * 0.0650% (0.68 1.0 1.00 0.02 0.02) = 0.065% QG2 THR 39 - HB2 LEU 17 14.286% * 0.0460% (0.48 1.0 1.00 0.02 0.02) = 0.046% HG13 ILE 68 - HB2 LEU 17 14.286% * 0.0292% (0.30 1.0 1.00 0.02 0.02) = 0.029% Peak 1400 (1.36, 1.36, 45.38 ppm): 1 diagonal assignment: * HB3 LEU 17 - HB3 LEU 17 (0.96) kept Peak 1401 (0.93, 1.75, 45.38 ppm): 15 chemical-shift based assignments, quality = 0.908, support = 4.3, residual support = 87.6: * O QD1 LEU 17 - HB2 LEU 17 6.667% * 99.0245% (0.92 10.0 4.34 88.51) = 99.025% kept QG2 VAL 62 - HB2 LEU 17 6.667% * 0.2508% (0.56 1.0 0.08 0.02) = 0.251% HG12 ILE 68 - HB2 LEU 17 6.667% * 0.1063% (0.98 1.0 0.02 0.02) = 0.106% HG3 LYS+ 110 - HB2 LEU 17 6.667% * 0.1035% (0.96 1.0 0.02 0.02) = 0.104% QG2 VAL 105 - HB2 LEU 17 6.667% * 0.1015% (0.94 1.0 0.02 0.02) = 0.101% QG2 VAL 80 - HB2 LEU 17 6.667% * 0.0962% (0.89 1.0 0.02 0.02) = 0.096% QG1 VAL 105 - HB2 LEU 17 6.667% * 0.0962% (0.89 1.0 0.02 0.02) = 0.096% QG2 VAL 73 - HB2 LEU 17 6.667% * 0.0481% (0.45 1.0 0.02 0.02) = 0.048% QG2 ILE 29 - HB2 LEU 17 6.667% * 0.0441% (0.41 1.0 0.02 17.13) = 0.044% HG3 LYS+ 117 - HB2 LEU 17 6.667% * 0.0331% (0.31 1.0 0.02 0.02) = 0.033% QD1 LEU 67 - HB2 LEU 17 6.667% * 0.0267% (0.25 1.0 0.02 0.02) = 0.027% QG1 VAL 47 - HB2 LEU 17 6.667% * 0.0212% (0.20 1.0 0.02 0.02) = 0.021% QG2 VAL 87 - HB2 LEU 17 6.667% * 0.0166% (0.15 1.0 0.02 0.02) = 0.017% QG2 VAL 40 - HB2 LEU 17 6.667% * 0.0166% (0.15 1.0 0.02 0.02) = 0.017% QG2 VAL 99 - HB2 LEU 17 6.667% * 0.0145% (0.13 1.0 0.02 0.32) = 0.015% Peak 1402 (0.93, 1.36, 45.37 ppm): 13 chemical-shift based assignments, quality = 0.887, support = 4.39, residual support = 84.8: * O QD1 LEU 17 - HB3 LEU 17 7.692% * 95.1305% (0.92 10.0 4.55 88.51) = 95.130% kept QG2 ILE 29 - HB3 LEU 17 7.692% * 3.6391% (0.43 1.0 1.61 17.13) = 3.639% kept QG2 VAL 62 - HB3 LEU 17 7.692% * 0.6272% (0.59 1.0 0.21 0.02) = 0.627% HG12 ILE 68 - HB3 LEU 17 7.692% * 0.0986% (0.95 1.0 0.02 0.02) = 0.099% QG2 VAL 105 - HB3 LEU 17 7.692% * 0.0971% (0.93 1.0 0.02 0.02) = 0.097% HG3 LYS+ 110 - HB3 LEU 17 7.692% * 0.0951% (0.92 1.0 0.02 0.02) = 0.095% QG1 VAL 105 - HB3 LEU 17 7.692% * 0.0928% (0.89 1.0 0.02 0.02) = 0.093% QG2 VAL 80 - HB3 LEU 17 7.692% * 0.0872% (0.84 1.0 0.02 0.02) = 0.087% QG2 VAL 73 - HB3 LEU 17 7.692% * 0.0490% (0.47 1.0 0.02 0.02) = 0.049% HG3 LYS+ 117 - HB3 LEU 17 7.692% * 0.0280% (0.27 1.0 0.02 0.02) = 0.028% QD1 LEU 67 - HB3 LEU 17 7.692% * 0.0224% (0.22 1.0 0.02 0.02) = 0.022% QG1 VAL 47 - HB3 LEU 17 7.692% * 0.0176% (0.17 1.0 0.02 0.02) = 0.018% QG2 VAL 99 - HB3 LEU 17 7.692% * 0.0155% (0.15 1.0 0.02 0.32) = 0.016% Peak 1403 (0.84, 1.75, 45.37 ppm): 9 chemical-shift based assignments, quality = 0.399, support = 4.37, residual support = 77.9: * O QD2 LEU 17 - HB2 LEU 17 11.111% * 87.0589% (0.37 10.0 4.91 88.51) = 87.059% kept QG1 VAL 94 - HB2 LEU 17 11.111% * 8.0166% (0.61 1.0 1.14 7.19) = 8.017% kept QD1 ILE 29 - HB2 LEU 17 11.111% * 1.7126% (0.87 1.0 0.17 17.13) = 1.713% kept QG1 VAL 13 - HB2 LEU 17 11.111% * 1.0612% (0.87 1.0 0.11 0.02) = 1.061% kept QG2 VAL 13 - HB2 LEU 17 11.111% * 0.9891% (0.94 1.0 0.09 0.02) = 0.989% HG2 LYS+ 117 - HB2 LEU 17 11.111% * 0.9876% (0.99 1.0 0.09 0.02) = 0.988% QD2 LEU 90 - HB2 LEU 17 11.111% * 0.0645% (0.28 1.0 0.02 0.17) = 0.064% QD1 LEU 90 - HB2 LEU 17 11.111% * 0.0578% (0.25 1.0 0.02 0.17) = 0.058% QG2 ILE 100 - HB2 LEU 17 11.111% * 0.0516% (0.22 1.0 0.02 0.02) = 0.052% Peak 1404 (4.36, 3.53, 45.27 ppm): 8 chemical-shift based assignments, quality = 0.88, support = 1.95, residual support = 13.1: * O T HA2 GLY 26 - HA1 GLY 26 12.500% * 93.4834% (0.91 10.0 10.00 1.93 13.55) = 93.483% kept HA SER 27 - HA1 GLY 26 12.500% * 6.1739% (0.52 1.0 1.00 2.31 6.98) = 6.174% kept HB THR 61 - HA1 GLY 26 12.500% * 0.0892% (0.87 1.0 1.00 0.02 0.02) = 0.089% HA TRP 51 - HA1 GLY 26 12.500% * 0.0721% (0.70 1.0 1.00 0.02 0.02) = 0.072% HA LYS+ 60 - HA1 GLY 26 12.500% * 0.0685% (0.66 1.0 1.00 0.02 0.02) = 0.068% HA ALA 37 - HA1 GLY 26 12.500% * 0.0572% (0.55 1.0 1.00 0.02 0.02) = 0.057% HA ALA 91 - HA1 GLY 26 12.500% * 0.0322% (0.31 1.0 1.00 0.02 0.02) = 0.032% HA SER 88 - HA1 GLY 26 12.500% * 0.0235% (0.23 1.0 1.00 0.02 0.02) = 0.024% Peak 1405 (3.91, 3.93, 45.15 ppm): 5 chemical-shift based assignments, quality = 0.418, support = 0.432, residual support = 0.318: HB2 SER 77 - HA1 GLY 114 20.000% * 47.0694% (0.65 1.00 0.28 0.32) = 47.069% kept HD2 PRO 116 - HA1 GLY 114 20.000% * 33.5414% (0.15 1.00 0.89 0.48) = 33.541% kept T HB THR 96 - HA1 GLY 114 20.000% * 17.8516% (0.34 10.00 0.02 0.02) = 17.852% kept HD2 PRO 86 - HA1 GLY 114 20.000% * 0.9434% (0.18 1.00 0.02 0.02) = 0.943% HD3 PRO 35 - HA1 GLY 114 20.000% * 0.5942% (0.11 1.00 0.02 0.02) = 0.594% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 1406 (3.91, 3.88, 45.18 ppm): 4 chemical-shift based assignments, quality = 0.22, support = 0.905, residual support = 0.346: T HD2 PRO 116 - HA2 GLY 114 25.000% * 54.8369% (0.09 10.00 1.19 0.48) = 54.837% kept HB2 SER 77 - HA2 GLY 114 25.000% * 24.1797% (0.56 1.00 0.82 0.32) = 24.180% kept T HD2 PRO 86 - HA2 GLY 114 25.000% * 15.6697% (0.11 10.00 0.26 0.02) = 15.670% kept HB THR 96 - HA2 GLY 114 25.000% * 5.3137% (0.37 1.00 0.27 0.02) = 5.314% kept Peak 1409 (4.06, 4.02, 44.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1410 (4.05, 4.10, 44.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1418 (1.76, 3.28, 43.49 ppm): 22 chemical-shift based assignments, quality = 0.374, support = 1.34, residual support = 28.2: * O T HG3 ARG+ 53 - HD3 ARG+ 53 4.545% * 62.0691% (0.37 10.0 10.00 1.79 38.79) = 62.069% kept O HG3 LYS+ 63 - HE3 LYS+ 63 4.545% * 18.1860% (0.22 10.0 1.00 1.00 22.47) = 18.186% kept T HG2 ARG+ 84 - HD3 ARG+ 53 4.545% * 14.2587% (0.61 1.0 10.00 0.28 0.02) = 14.259% kept HB3 LEU 23 - HD3 ARG+ 53 4.545% * 2.5525% (0.61 1.0 1.00 0.51 0.20) = 2.552% kept T HG2 ARG+ 84 - HE3 LYS+ 63 4.545% * 0.8847% (0.53 1.0 10.00 0.02 0.02) = 0.885% T HG3 ARG+ 53 - HE3 LYS+ 63 4.545% * 0.5474% (0.33 1.0 10.00 0.02 0.02) = 0.547% HD3 PRO 59 - HD3 ARG+ 53 4.545% * 0.1621% (0.98 1.0 1.00 0.02 0.02) = 0.162% HB2 LEU 17 - HD3 ARG+ 53 4.545% * 0.1483% (0.90 1.0 1.00 0.02 0.02) = 0.148% HD3 PRO 59 - HE3 LYS+ 63 4.545% * 0.1430% (0.86 1.0 1.00 0.02 0.02) = 0.143% HB2 LEU 17 - HE3 LYS+ 63 4.545% * 0.1308% (0.79 1.0 1.00 0.02 0.02) = 0.131% HB2 LYS+ 117 - HD3 ARG+ 53 4.545% * 0.1070% (0.65 1.0 1.00 0.02 0.02) = 0.107% HB3 GLU- 18 - HD3 ARG+ 53 4.545% * 0.1070% (0.65 1.0 1.00 0.02 0.02) = 0.107% HB2 LYS+ 117 - HE3 LYS+ 63 4.545% * 0.0944% (0.57 1.0 1.00 0.02 0.73) = 0.094% HB3 GLU- 18 - HE3 LYS+ 63 4.545% * 0.0944% (0.57 1.0 1.00 0.02 0.02) = 0.094% HB2 ARG+ 84 - HD3 ARG+ 53 4.545% * 0.0936% (0.57 1.0 1.00 0.02 0.02) = 0.094% HB3 LEU 23 - HE3 LYS+ 63 4.545% * 0.0885% (0.53 1.0 1.00 0.02 0.02) = 0.088% HB2 ARG+ 84 - HE3 LYS+ 63 4.545% * 0.0826% (0.50 1.0 1.00 0.02 0.02) = 0.083% HB ILE 48 - HD3 ARG+ 53 4.545% * 0.0741% (0.45 1.0 1.00 0.02 0.02) = 0.074% HB ILE 48 - HE3 LYS+ 63 4.545% * 0.0654% (0.39 1.0 1.00 0.02 0.02) = 0.065% HG3 LYS+ 63 - HD3 ARG+ 53 4.545% * 0.0412% (0.25 1.0 1.00 0.02 0.02) = 0.041% HG2 PRO 31 - HD3 ARG+ 53 4.545% * 0.0368% (0.22 1.0 1.00 0.02 0.02) = 0.037% HG2 PRO 31 - HE3 LYS+ 63 4.545% * 0.0325% (0.20 1.0 1.00 0.02 0.02) = 0.032% Peak 1419 (0.93, 3.17, 43.84 ppm): 14 chemical-shift based assignments, quality = 0.667, support = 0.778, residual support = 0.813: * QD1 LEU 17 - HD3 ARG+ 84 7.143% * 32.4207% (0.76 0.95 1.76) = 32.421% kept HG12 ILE 68 - HD3 ARG+ 84 7.143% * 30.8923% (0.85 0.82 0.41) = 30.892% kept QG2 VAL 80 - HD3 ARG+ 84 7.143% * 15.2807% (0.78 0.44 0.02) = 15.281% kept QD1 LEU 67 - HD3 ARG+ 84 7.143% * 11.3850% (0.24 1.08 0.99) = 11.385% kept QG2 VAL 40 - HD3 ARG+ 84 7.143% * 3.7448% (0.15 0.56 0.02) = 3.745% kept QG1 VAL 47 - HD3 ARG+ 84 7.143% * 1.7064% (0.19 0.20 0.02) = 1.706% kept HG3 LYS+ 117 - HD3 ARG+ 84 7.143% * 1.3454% (0.29 0.10 0.02) = 1.345% kept HG3 LYS+ 110 - HD3 ARG+ 84 7.143% * 0.7423% (0.83 0.02 0.02) = 0.742% QG2 VAL 105 - HD3 ARG+ 84 7.143% * 0.6991% (0.78 0.02 0.02) = 0.699% QG1 VAL 105 - HD3 ARG+ 84 7.143% * 0.6569% (0.73 0.02 0.02) = 0.657% QG2 VAL 62 - HD3 ARG+ 84 7.143% * 0.3984% (0.45 0.02 0.02) = 0.398% QG2 VAL 73 - HD3 ARG+ 84 7.143% * 0.3113% (0.35 0.02 0.02) = 0.311% QG2 ILE 29 - HD3 ARG+ 84 7.143% * 0.2842% (0.32 0.02 0.02) = 0.284% QG2 VAL 87 - HD3 ARG+ 84 7.143% * 0.1326% (0.15 0.02 0.02) = 0.133% Peak 1423 (3.77, 3.77, 43.58 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1432 (3.28, 3.28, 43.41 ppm): 2 diagonal assignments: * HE3 LYS+ 63 - HE3 LYS+ 63 (0.99) kept HD3 ARG+ 53 - HD3 ARG+ 53 (0.89) kept Peak 1438 (3.28, 3.28, 43.49 ppm): 2 diagonal assignments: * HD3 ARG+ 53 - HD3 ARG+ 53 (1.00) kept HE3 LYS+ 63 - HE3 LYS+ 63 (0.82) kept Peak 1443 (0.75, 2.64, 43.40 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1444 (0.74, 2.46, 43.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1450 (9.04, 3.48, 42.73 ppm): 2 chemical-shift based assignments, quality = 0.714, support = 2.12, residual support = 8.22: * O HN GLY 30 - HA1 GLY 30 50.000% * 99.8927% (0.72 10.0 2.13 8.23) = 99.893% kept HN THR 79 - HA1 GLY 30 50.000% * 0.1073% (0.77 1.0 0.02 0.20) = 0.107% Peak 1451 (8.25, 2.79, 42.86 ppm): 8 chemical-shift based assignments, quality = 0.388, support = 3.01, residual support = 18.1: O HN GLY 58 - HA2 GLY 58 12.500% * 99.0678% (0.39 10.0 3.04 18.23) = 99.068% kept HN THR 106 - HA2 GLY 58 12.500% * 0.2035% (0.80 1.0 0.02 0.02) = 0.204% HN ASP- 115 - HA2 GLY 58 12.500% * 0.2017% (0.80 1.0 0.02 0.02) = 0.202% HN GLU- 12 - HA2 GLY 58 12.500% * 0.1478% (0.58 1.0 0.02 0.02) = 0.148% HN LYS+ 81 - HA2 GLY 58 12.500% * 0.1234% (0.49 1.0 0.02 0.02) = 0.123% HN LEU 67 - HA2 GLY 58 12.500% * 0.1234% (0.49 1.0 0.02 0.02) = 0.123% HN SER 49 - HA2 GLY 58 12.500% * 0.0694% (0.27 1.0 0.02 0.02) = 0.069% HN ASN 89 - HA2 GLY 58 12.500% * 0.0628% (0.25 1.0 0.02 0.02) = 0.063% Reference assignment not found: HN GLY 58 - HA1 GLY 58 Peak 1452 (8.25, 2.22, 42.86 ppm): 8 chemical-shift based assignments, quality = 0.539, support = 3.35, residual support = 18.1: * O HN GLY 58 - HA1 GLY 58 12.500% * 99.1608% (0.54 10.0 3.38 18.23) = 99.161% kept HN THR 106 - HA1 GLY 58 12.500% * 0.1736% (0.95 1.0 0.02 0.02) = 0.174% HN ASP- 115 - HA1 GLY 58 12.500% * 0.1690% (0.93 1.0 0.02 0.02) = 0.169% HN GLU- 12 - HA1 GLY 58 12.500% * 0.1402% (0.77 1.0 0.02 0.02) = 0.140% HN LYS+ 81 - HA1 GLY 58 12.500% * 0.1203% (0.66 1.0 0.02 0.02) = 0.120% HN LEU 67 - HA1 GLY 58 12.500% * 0.1203% (0.66 1.0 0.02 0.02) = 0.120% HN SER 49 - HA1 GLY 58 12.500% * 0.0720% (0.39 1.0 0.02 0.02) = 0.072% HN ASN 89 - HA1 GLY 58 12.500% * 0.0437% (0.24 1.0 0.02 0.02) = 0.044% Peak 1454 (7.33, 2.60, 42.79 ppm): 6 chemical-shift based assignments, quality = 0.619, support = 2.12, residual support = 22.9: * O QD PHE 34 - HB2 PHE 34 16.667% * 78.1104% (0.58 10.0 2.28 23.73) = 78.110% kept HZ PHE 34 - HB2 PHE 34 16.667% * 8.9367% (0.80 1.0 1.66 23.73) = 8.937% kept QE PHE 34 - HB2 PHE 34 16.667% * 8.9367% (0.80 1.0 1.66 23.73) = 8.937% kept HN VAL 47 - HB2 PHE 34 16.667% * 3.8434% (0.52 1.0 1.10 2.97) = 3.843% kept HZ2 TRP 51 - HB2 PHE 34 16.667% * 0.1076% (0.80 1.0 0.02 0.02) = 0.108% HN ARG+ 84 - HB2 PHE 34 16.667% * 0.0652% (0.49 1.0 0.02 2.40) = 0.065% Peak 1455 (4.98, 3.48, 42.75 ppm): 5 chemical-shift based assignments, quality = 0.516, support = 2.89, residual support = 5.41: O HA PRO 31 - HA1 GLY 30 20.000% * 91.0526% (0.50 10.0 3.09 5.90) = 91.053% kept HA SER 69 - HA1 GLY 30 20.000% * 5.7051% (0.83 1.0 0.75 0.66) = 5.705% kept HA ILE 68 - HA1 GLY 30 20.000% * 3.0798% (0.43 1.0 0.79 0.02) = 3.080% kept HA MET 97 - HA1 GLY 30 20.000% * 0.1343% (0.74 1.0 0.02 0.02) = 0.134% HA HIS+ 98 - HA1 GLY 30 20.000% * 0.0282% (0.15 1.0 0.02 0.02) = 0.028% Peak 1456 (4.73, 3.48, 42.75 ppm): 5 chemical-shift based assignments, quality = 0.386, support = 2.37, residual support = 7.84: * O HA2 GLY 30 - HA1 GLY 30 20.000% * 95.1593% (0.37 10.0 2.46 8.23) = 95.159% kept HA LYS+ 20 - HA1 GLY 30 20.000% * 4.6753% (0.64 1.0 0.58 0.16) = 4.675% kept HA THR 39 - HA1 GLY 30 20.000% * 0.0797% (0.31 1.0 0.02 0.02) = 0.080% HA THR 61 - HA1 GLY 30 20.000% * 0.0529% (0.21 1.0 0.02 0.02) = 0.053% HA VAL 99 - HA1 GLY 30 20.000% * 0.0327% (0.13 1.0 0.02 0.02) = 0.033% Peak 1459 (2.80, 2.22, 42.87 ppm): 6 chemical-shift based assignments, quality = 0.826, support = 2.99, residual support = 18.2: * O T HA2 GLY 58 - HA1 GLY 58 16.667% * 99.6749% (0.83 10.0 10.00 3.00 18.23) = 99.675% kept HE3 LYS+ 32 - HA1 GLY 58 16.667% * 0.0968% (0.81 1.0 1.00 0.02 0.02) = 0.097% HE3 LYS+ 111 - HA1 GLY 58 16.667% * 0.0784% (0.65 1.0 1.00 0.02 0.02) = 0.078% HB2 ASN 119 - HA1 GLY 58 16.667% * 0.0699% (0.58 1.0 1.00 0.02 0.02) = 0.070% HB3 ASN 89 - HA1 GLY 58 16.667% * 0.0611% (0.51 1.0 1.00 0.02 0.02) = 0.061% HB3 ASN 119 - HA1 GLY 58 16.667% * 0.0189% (0.16 1.0 1.00 0.02 0.02) = 0.019% Peak 1466 (2.22, 2.79, 42.91 ppm): 14 chemical-shift based assignments, quality = 0.607, support = 2.83, residual support = 17.1: * O T HA1 GLY 58 - HA2 GLY 58 7.143% * 93.7909% (0.61 10.0 10.00 3.00 18.23) = 93.791% kept HB2 PRO 52 - HA2 GLY 58 7.143% * 2.9326% (0.73 1.0 1.00 0.53 0.02) = 2.933% kept HB2 GLU- 50 - HA2 GLY 58 7.143% * 1.6823% (0.68 1.0 1.00 0.32 0.02) = 1.682% kept HB3 ASN 15 - HA2 GLY 58 7.143% * 0.7488% (0.30 1.0 1.00 0.32 0.02) = 0.749% HG2 PRO 112 - HA2 GLY 58 7.143% * 0.1123% (0.73 1.0 1.00 0.02 0.02) = 0.112% HG3 GLN 102 - HA2 GLY 58 7.143% * 0.1120% (0.73 1.0 1.00 0.02 0.02) = 0.112% HG3 GLU- 109 - HA2 GLY 58 7.143% * 0.1113% (0.73 1.0 1.00 0.02 0.02) = 0.111% HG3 GLU- 18 - HA2 GLY 58 7.143% * 0.1084% (0.71 1.0 1.00 0.02 0.02) = 0.108% HG3 MET 97 - HA2 GLY 58 7.143% * 0.0938% (0.61 1.0 1.00 0.02 0.02) = 0.094% HG3 MET 126 - HA2 GLY 58 7.143% * 0.0815% (0.53 1.0 1.00 0.02 0.02) = 0.082% HB3 GLU- 45 - HA2 GLY 58 7.143% * 0.0771% (0.50 1.0 1.00 0.02 0.02) = 0.077% HG3 GLN 16 - HA2 GLY 58 7.143% * 0.0681% (0.44 1.0 1.00 0.02 0.02) = 0.068% HG3 GLU- 10 - HA2 GLY 58 7.143% * 0.0636% (0.42 1.0 1.00 0.02 0.02) = 0.064% HG2 MET 126 - HA2 GLY 58 7.143% * 0.0173% (0.11 1.0 1.00 0.02 0.02) = 0.017% Peak 1467 (2.23, 2.22, 42.86 ppm): 1 diagonal assignment: * HA1 GLY 58 - HA1 GLY 58 (0.75) kept Peak 1469 (1.85, 2.23, 42.87 ppm): 11 chemical-shift based assignments, quality = 0.747, support = 2.38, residual support = 17.2: * O HD2 PRO 59 - HA1 GLY 58 9.091% * 91.3653% (0.77 10.0 2.43 17.89) = 91.365% kept HB2 PRO 59 - HA1 GLY 58 9.091% * 5.0231% (0.31 1.0 2.70 17.89) = 5.023% kept HB3 LYS+ 60 - HA1 GLY 58 9.091% * 3.1242% (0.82 1.0 0.64 0.13) = 3.124% kept HB2 PRO 104 - HA1 GLY 58 9.091% * 0.0988% (0.84 1.0 0.02 0.02) = 0.099% HB3 LYS+ 72 - HA1 GLY 58 9.091% * 0.0981% (0.83 1.0 0.02 0.02) = 0.098% HB VAL 94 - HA1 GLY 58 9.091% * 0.0936% (0.79 1.0 0.02 0.02) = 0.094% HB2 LYS+ 66 - HA1 GLY 58 9.091% * 0.0719% (0.61 1.0 0.02 0.02) = 0.072% HB3 ARG+ 84 - HA1 GLY 58 9.091% * 0.0444% (0.38 1.0 0.02 0.02) = 0.044% HD3 PRO 52 - HA1 GLY 58 9.091% * 0.0407% (0.34 1.0 0.02 0.02) = 0.041% HG3 LYS+ 120 - HA1 GLY 58 9.091% * 0.0220% (0.19 1.0 0.02 0.02) = 0.022% HG2 PRO 112 - HA1 GLY 58 9.091% * 0.0179% (0.15 1.0 0.02 0.02) = 0.018% Peak 1470 (1.80, 2.79, 42.90 ppm): 12 chemical-shift based assignments, quality = 0.59, support = 0.405, residual support = 0.0193: HB3 LYS+ 63 - HA2 GLY 58 8.333% * 47.4858% (0.64 0.52 0.02) = 47.486% kept HB3 LYS+ 108 - HA2 GLY 58 8.333% * 37.4456% (0.64 0.41 0.02) = 37.446% kept HB2 GLU- 109 - HA2 GLY 58 8.333% * 5.4028% (0.36 0.10 0.02) = 5.403% kept HG3 LYS+ 108 - HA2 GLY 58 8.333% * 2.2433% (0.20 0.08 0.02) = 2.243% kept HG2 PRO 31 - HA2 GLY 58 8.333% * 1.4765% (0.52 0.02 0.02) = 1.476% kept HG3 LYS+ 63 - HA2 GLY 58 8.333% * 1.4092% (0.49 0.02 0.02) = 1.409% kept HG3 ARG+ 53 - HA2 GLY 58 8.333% * 1.1184% (0.39 0.02 0.02) = 1.118% kept HD3 LYS+ 72 - HA2 GLY 58 8.333% * 0.8267% (0.29 0.02 0.02) = 0.827% HB2 ARG+ 84 - HA2 GLY 58 8.333% * 0.7581% (0.26 0.02 0.02) = 0.758% HG2 ARG+ 84 - HA2 GLY 58 8.333% * 0.6920% (0.24 0.02 0.02) = 0.692% HB3 GLU- 18 - HA2 GLY 58 8.333% * 0.6290% (0.22 0.02 0.02) = 0.629% HD3 LYS+ 117 - HA2 GLY 58 8.333% * 0.5127% (0.18 0.02 0.02) = 0.513% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 1472 (8.30, 1.56, 42.51 ppm): 12 chemical-shift based assignments, quality = 0.78, support = 2.53, residual support = 12.3: * HN ALA 91 - HB3 LEU 90 8.333% * 77.6186% (0.93 2.98 15.11) = 77.619% kept HN ASN 89 - HB3 LEU 90 8.333% * 12.0425% (0.32 1.36 4.40) = 12.043% kept HN ALA 91 - HB ILE 19 8.333% * 4.6346% (0.25 0.67 0.02) = 4.635% kept HN VAL 99 - HB ILE 19 8.333% * 2.6385% (0.16 0.59 0.02) = 2.639% kept HN GLY 114 - HB ILE 19 8.333% * 1.1558% (0.06 0.75 0.02) = 1.156% kept HN ASN 76 - HB ILE 19 8.333% * 0.7712% (0.08 0.36 0.02) = 0.771% HN ASP- 28 - HB3 LEU 90 8.333% * 0.3779% (0.68 0.02 0.02) = 0.378% HN VAL 99 - HB3 LEU 90 8.333% * 0.3366% (0.60 0.02 0.02) = 0.337% HN ASN 76 - HB3 LEU 90 8.333% * 0.1606% (0.29 0.02 0.02) = 0.161% HN GLY 114 - HB3 LEU 90 8.333% * 0.1158% (0.21 0.02 0.02) = 0.116% HN ASP- 28 - HB ILE 19 8.333% * 0.1005% (0.18 0.02 0.02) = 0.101% HN ASN 89 - HB ILE 19 8.333% * 0.0472% (0.08 0.02 0.02) = 0.047% Peak 1473 (4.30, 1.62, 42.50 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1474 (4.29, 1.56, 42.49 ppm): 30 chemical-shift based assignments, quality = 0.74, support = 2.78, residual support = 18.7: * O HA LEU 90 - HB3 LEU 90 3.333% * 96.1317% (0.75 10.0 2.88 19.40) = 96.132% kept HA ASP- 36 - HB3 LEU 90 3.333% * 1.3729% (0.89 1.0 0.24 0.02) = 1.373% kept HA ILE 29 - HB3 LEU 90 3.333% * 1.3532% (0.46 1.0 0.46 0.02) = 1.353% kept HA CYS 121 - HB3 LEU 90 3.333% * 0.1198% (0.94 1.0 0.02 0.02) = 0.120% HA THR 106 - HB3 LEU 90 3.333% * 0.1190% (0.93 1.0 0.02 0.02) = 0.119% HB3 CYS 121 - HB3 LEU 90 3.333% * 0.1136% (0.89 1.0 0.02 0.02) = 0.114% HA VAL 122 - HB3 LEU 90 3.333% * 0.0872% (0.68 1.0 0.02 0.02) = 0.087% HA VAL 94 - HB3 LEU 90 3.333% * 0.0632% (0.49 1.0 0.02 0.02) = 0.063% HA SER 85 - HB3 LEU 90 3.333% * 0.0584% (0.46 1.0 0.02 0.02) = 0.058% HA ARG+ 84 - HB3 LEU 90 3.333% * 0.0584% (0.46 1.0 0.02 0.02) = 0.058% HA PRO 52 - HB3 LEU 90 3.333% * 0.0584% (0.46 1.0 0.02 2.38) = 0.058% HA CYS 121 - HB ILE 19 3.333% * 0.0402% (0.31 1.0 0.02 0.02) = 0.040% HA THR 106 - HB ILE 19 3.333% * 0.0399% (0.31 1.0 0.02 0.02) = 0.040% HA ASP- 36 - HB ILE 19 3.333% * 0.0381% (0.30 1.0 0.02 0.02) = 0.038% HB3 CYS 121 - HB ILE 19 3.333% * 0.0381% (0.30 1.0 0.02 0.02) = 0.038% HA ALA 93 - HB3 LEU 90 3.333% * 0.0371% (0.29 1.0 0.02 0.15) = 0.037% HA GLU- 56 - HB3 LEU 90 3.333% * 0.0334% (0.26 1.0 0.02 0.02) = 0.033% HA LEU 90 - HB ILE 19 3.333% * 0.0322% (0.25 1.0 0.02 0.29) = 0.032% HA VAL 122 - HB ILE 19 3.333% * 0.0292% (0.23 1.0 0.02 0.02) = 0.029% HA VAL 94 - HB ILE 19 3.333% * 0.0212% (0.17 1.0 0.02 0.38) = 0.021% HA GLU- 64 - HB3 LEU 90 3.333% * 0.0210% (0.16 1.0 0.02 0.02) = 0.021% HA ILE 29 - HB ILE 19 3.333% * 0.0196% (0.15 1.0 0.02 0.02) = 0.020% HA ARG+ 84 - HB ILE 19 3.333% * 0.0196% (0.15 1.0 0.02 0.02) = 0.020% HA SER 85 - HB ILE 19 3.333% * 0.0196% (0.15 1.0 0.02 0.02) = 0.020% HA PRO 52 - HB ILE 19 3.333% * 0.0196% (0.15 1.0 0.02 0.02) = 0.020% HA GLU- 75 - HB3 LEU 90 3.333% * 0.0185% (0.14 1.0 0.02 0.39) = 0.019% HA ALA 93 - HB ILE 19 3.333% * 0.0124% (0.10 1.0 0.02 0.02) = 0.012% HA GLU- 56 - HB ILE 19 3.333% * 0.0112% (0.09 1.0 0.02 0.02) = 0.011% HA GLU- 64 - HB ILE 19 3.333% * 0.0071% (0.06 1.0 0.02 0.02) = 0.007% HA GLU- 75 - HB ILE 19 3.333% * 0.0062% (0.05 1.0 0.02 0.02) = 0.006% Peak 1480 (3.13, 3.12, 42.46 ppm): 3 diagonal assignments: * HE3 LYS+ 108 - HE3 LYS+ 108 (0.93) kept HE3 LYS+ 72 - HE3 LYS+ 72 (0.85) kept HE3 LYS+ 117 - HE3 LYS+ 117 (0.83) kept Peak 1486 (2.99, 2.98, 42.50 ppm): 3 diagonal assignments: * HE2 LYS+ 117 - HE2 LYS+ 117 (0.58) kept HE3 LYS+ 113 - HE3 LYS+ 113 (0.36) kept HE3 LYS+ 55 - HE3 LYS+ 55 (0.23) kept Peak 1488 (2.90, 1.57, 42.39 ppm): 10 chemical-shift based assignments, quality = 0.258, support = 0.276, residual support = 0.302: T HE3 LYS+ 60 - HB ILE 19 10.000% * 54.0254% (0.12 10.00 0.32 0.42) = 54.025% kept HB2 HIS+ 98 - HB3 LEU 90 10.000% * 17.9262% (0.48 1.00 0.27 0.13) = 17.926% kept HB2 HIS+ 98 - HB ILE 19 10.000% * 16.0216% (0.37 1.00 0.31 0.29) = 16.022% kept T HE3 LYS+ 60 - HB3 LEU 90 10.000% * 4.2847% (0.16 10.00 0.02 0.02) = 4.285% kept HB3 ASN 57 - HB3 LEU 90 10.000% * 1.9417% (0.70 1.00 0.02 0.02) = 1.942% kept HE3 LYS+ 81 - HB3 LEU 90 10.000% * 1.8085% (0.66 1.00 0.02 0.02) = 1.808% kept HB3 ASN 57 - HB ILE 19 10.000% * 1.5124% (0.55 1.00 0.02 0.02) = 1.512% kept HE3 LYS+ 81 - HB ILE 19 10.000% * 1.4086% (0.51 1.00 0.02 0.02) = 1.409% kept HB2 CYS 121 - HB3 LEU 90 10.000% * 0.6020% (0.22 1.00 0.02 0.02) = 0.602% HB2 CYS 121 - HB ILE 19 10.000% * 0.4689% (0.17 1.00 0.02 0.02) = 0.469% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 1499 (1.82, 3.12, 42.45 ppm): 27 chemical-shift based assignments, quality = 0.853, support = 1.15, residual support = 13.3: O T HG3 LYS+ 108 - HE3 LYS+ 108 3.704% * 34.8733% (0.95 10.0 10.00 1.00 13.55) = 34.873% kept O T HD3 LYS+ 117 - HE3 LYS+ 117 3.704% * 31.8679% (0.87 10.0 10.00 1.00 2.12) = 31.868% kept * O T HD3 LYS+ 72 - HE3 LYS+ 72 3.704% * 29.9569% (0.81 10.0 10.00 1.53 25.75) = 29.957% kept HB3 LYS+ 108 - HE3 LYS+ 108 3.704% * 1.1128% (0.24 1.0 1.00 2.54 13.55) = 1.113% kept T HD3 LYS+ 117 - HE3 LYS+ 108 3.704% * 0.3511% (0.95 1.0 10.00 0.02 0.02) = 0.351% T HD3 LYS+ 72 - HE3 LYS+ 108 3.704% * 0.3248% (0.88 1.0 10.00 0.02 0.02) = 0.325% T HD3 LYS+ 117 - HE3 LYS+ 72 3.704% * 0.3238% (0.88 1.0 10.00 0.02 0.02) = 0.324% T HG3 LYS+ 108 - HE3 LYS+ 72 3.704% * 0.3216% (0.87 1.0 10.00 0.02 0.02) = 0.322% T HG3 LYS+ 108 - HE3 LYS+ 117 3.704% * 0.3166% (0.86 1.0 10.00 0.02 0.02) = 0.317% T HD3 LYS+ 72 - HE3 LYS+ 117 3.704% * 0.2948% (0.80 1.0 10.00 0.02 0.02) = 0.295% HB2 GLU- 109 - HE3 LYS+ 108 3.704% * 0.0294% (0.80 1.0 1.00 0.02 4.63) = 0.029% HB2 GLU- 109 - HE3 LYS+ 72 3.704% * 0.0271% (0.74 1.0 1.00 0.02 0.02) = 0.027% HB2 PRO 59 - HE3 LYS+ 108 3.704% * 0.0269% (0.73 1.0 1.00 0.02 0.17) = 0.027% HB2 GLU- 109 - HE3 LYS+ 117 3.704% * 0.0267% (0.72 1.0 1.00 0.02 0.02) = 0.027% HB2 PRO 59 - HE3 LYS+ 72 3.704% * 0.0248% (0.67 1.0 1.00 0.02 1.46) = 0.025% HB2 PRO 59 - HE3 LYS+ 117 3.704% * 0.0244% (0.66 1.0 1.00 0.02 0.02) = 0.024% HB2 LYS+ 66 - HE3 LYS+ 108 3.704% * 0.0145% (0.39 1.0 1.00 0.02 0.02) = 0.014% HB2 LYS+ 66 - HE3 LYS+ 72 3.704% * 0.0133% (0.36 1.0 1.00 0.02 0.02) = 0.013% HB2 LYS+ 66 - HE3 LYS+ 117 3.704% * 0.0131% (0.36 1.0 1.00 0.02 0.02) = 0.013% HB3 LYS+ 63 - HE3 LYS+ 108 3.704% * 0.0088% (0.24 1.0 1.00 0.02 0.02) = 0.009% HB3 LYS+ 63 - HE3 LYS+ 72 3.704% * 0.0081% (0.22 1.0 1.00 0.02 0.02) = 0.008% HB3 LYS+ 108 - HE3 LYS+ 72 3.704% * 0.0081% (0.22 1.0 1.00 0.02 0.02) = 0.008% HB3 LYS+ 63 - HE3 LYS+ 117 3.704% * 0.0080% (0.22 1.0 1.00 0.02 0.73) = 0.008% HB3 LYS+ 108 - HE3 LYS+ 117 3.704% * 0.0080% (0.22 1.0 1.00 0.02 0.02) = 0.008% HB3 LYS+ 60 - HE3 LYS+ 108 3.704% * 0.0054% (0.15 1.0 1.00 0.02 0.02) = 0.005% HB3 LYS+ 60 - HE3 LYS+ 72 3.704% * 0.0050% (0.14 1.0 1.00 0.02 0.02) = 0.005% HB3 LYS+ 60 - HE3 LYS+ 117 3.704% * 0.0049% (0.13 1.0 1.00 0.02 0.02) = 0.005% Peak 1500 (1.80, 2.92, 42.39 ppm): 12 chemical-shift based assignments, quality = 0.728, support = 0.714, residual support = 0.663: HB3 LYS+ 63 - HE3 LYS+ 60 8.333% * 63.3548% (0.79 0.97 1.04) = 63.355% kept HB3 LYS+ 108 - HE3 LYS+ 60 8.333% * 24.3246% (0.79 0.37 0.02) = 24.325% kept HB2 GLU- 109 - HE3 LYS+ 60 8.333% * 5.7878% (0.59 0.12 0.02) = 5.788% kept HB3 GLU- 18 - HE3 LYS+ 60 8.333% * 1.5376% (0.18 0.10 0.02) = 1.538% kept HG2 PRO 31 - HE3 LYS+ 60 8.333% * 0.8745% (0.53 0.02 0.02) = 0.875% HG3 LYS+ 63 - HE3 LYS+ 60 8.333% * 0.8199% (0.50 0.02 1.04) = 0.820% HD3 LYS+ 72 - HE3 LYS+ 60 8.333% * 0.8199% (0.50 0.02 0.02) = 0.820% HG3 ARG+ 53 - HE3 LYS+ 60 8.333% * 0.6061% (0.37 0.02 0.02) = 0.606% HG3 LYS+ 108 - HE3 LYS+ 60 8.333% * 0.6061% (0.37 0.02 0.02) = 0.606% HD3 LYS+ 117 - HE3 LYS+ 60 8.333% * 0.5558% (0.34 0.02 0.02) = 0.556% HB2 ARG+ 84 - HE3 LYS+ 60 8.333% * 0.3759% (0.23 0.02 0.02) = 0.376% HG2 ARG+ 84 - HE3 LYS+ 60 8.333% * 0.3371% (0.20 0.02 0.02) = 0.337% Peak 1503 (1.56, 2.90, 42.39 ppm): 10 chemical-shift based assignments, quality = 0.479, support = 0.925, residual support = 36.7: * O T HD3 LYS+ 60 - HE3 LYS+ 60 10.000% * 81.0479% (0.49 10.0 10.00 1.05 45.24) = 81.048% kept T HD3 LYS+ 81 - HE3 LYS+ 60 10.000% * 17.1358% (0.49 1.0 10.00 0.42 0.13) = 17.136% kept T HB ILE 19 - HE3 LYS+ 60 10.000% * 0.7735% (0.46 1.0 10.00 0.02 0.42) = 0.774% T HB3 LEU 90 - HE3 LYS+ 60 10.000% * 0.6830% (0.41 1.0 10.00 0.02 0.02) = 0.683% HG LEU 17 - HE3 LYS+ 60 10.000% * 0.0789% (0.47 1.0 1.00 0.02 0.02) = 0.079% QB ALA 42 - HE3 LYS+ 60 10.000% * 0.0733% (0.44 1.0 1.00 0.02 0.02) = 0.073% HG12 ILE 29 - HE3 LYS+ 60 10.000% * 0.0733% (0.44 1.0 1.00 0.02 0.02) = 0.073% HG13 ILE 29 - HE3 LYS+ 60 10.000% * 0.0594% (0.36 1.0 1.00 0.02 0.02) = 0.059% QG2 THR 24 - HE3 LYS+ 60 10.000% * 0.0496% (0.30 1.0 1.00 0.02 0.02) = 0.050% HB3 LYS+ 32 - HE3 LYS+ 60 10.000% * 0.0252% (0.15 1.0 1.00 0.02 0.16) = 0.025% Peak 1506 (1.56, 1.55, 42.48 ppm): 2 diagonal assignments: * HB3 LEU 90 - HB3 LEU 90 (0.98) kept HB ILE 19 - HB ILE 19 (0.18) kept Peak 1508 (1.49, 3.13, 42.43 ppm): 24 chemical-shift based assignments, quality = 0.457, support = 1.16, residual support = 19.2: * O T HG3 LYS+ 72 - HE3 LYS+ 72 4.167% * 46.1798% (0.35 10.0 10.00 1.22 25.75) = 46.180% kept O HD3 LYS+ 108 - HE3 LYS+ 108 4.167% * 39.0188% (0.59 10.0 1.00 1.00 13.55) = 39.019% kept HB2 LYS+ 72 - HE3 LYS+ 72 4.167% * 7.5415% (0.45 1.0 1.00 2.52 25.75) = 7.542% kept QB ALA 70 - HE3 LYS+ 72 4.167% * 2.9312% (0.87 1.0 1.00 0.50 2.40) = 2.931% kept T HG3 LYS+ 72 - HE3 LYS+ 117 4.167% * 2.6486% (0.34 1.0 10.00 0.12 0.02) = 2.649% kept T HG3 LYS+ 72 - HE3 LYS+ 108 4.167% * 0.4829% (0.36 1.0 10.00 0.02 0.02) = 0.483% QB ALA 70 - HE3 LYS+ 108 4.167% * 0.1217% (0.91 1.0 1.00 0.02 0.02) = 0.122% HB3 LYS+ 44 - HE3 LYS+ 108 4.167% * 0.1188% (0.89 1.0 1.00 0.02 0.02) = 0.119% QB ALA 70 - HE3 LYS+ 117 4.167% * 0.1149% (0.86 1.0 1.00 0.02 0.02) = 0.115% HB3 LYS+ 44 - HE3 LYS+ 72 4.167% * 0.1136% (0.85 1.0 1.00 0.02 0.02) = 0.114% HB3 LYS+ 44 - HE3 LYS+ 117 4.167% * 0.1121% (0.84 1.0 1.00 0.02 0.02) = 0.112% HD3 LYS+ 108 - HE3 LYS+ 72 4.167% * 0.0746% (0.56 1.0 1.00 0.02 0.02) = 0.075% HD3 LYS+ 108 - HE3 LYS+ 117 4.167% * 0.0737% (0.55 1.0 1.00 0.02 0.02) = 0.074% HB2 LYS+ 72 - HE3 LYS+ 108 4.167% * 0.0626% (0.47 1.0 1.00 0.02 0.02) = 0.063% HB2 LYS+ 72 - HE3 LYS+ 117 4.167% * 0.0591% (0.44 1.0 1.00 0.02 0.02) = 0.059% HB3 LEU 67 - HE3 LYS+ 108 4.167% * 0.0529% (0.40 1.0 1.00 0.02 0.02) = 0.053% HB3 LEU 67 - HE3 LYS+ 72 4.167% * 0.0506% (0.38 1.0 1.00 0.02 0.21) = 0.051% HB3 LEU 67 - HE3 LYS+ 117 4.167% * 0.0499% (0.37 1.0 1.00 0.02 0.02) = 0.050% HG3 PRO 52 - HE3 LYS+ 108 4.167% * 0.0439% (0.33 1.0 1.00 0.02 0.02) = 0.044% HG3 PRO 52 - HE3 LYS+ 72 4.167% * 0.0420% (0.32 1.0 1.00 0.02 0.02) = 0.042% HG3 PRO 52 - HE3 LYS+ 117 4.167% * 0.0414% (0.31 1.0 1.00 0.02 0.02) = 0.041% HG13 ILE 48 - HE3 LYS+ 108 4.167% * 0.0225% (0.17 1.0 1.00 0.02 0.02) = 0.023% HG13 ILE 48 - HE3 LYS+ 72 4.167% * 0.0215% (0.16 1.0 1.00 0.02 0.13) = 0.022% HG13 ILE 48 - HE3 LYS+ 117 4.167% * 0.0213% (0.16 1.0 1.00 0.02 0.02) = 0.021% Peak 1510 (1.36, 2.90, 42.39 ppm): 7 chemical-shift based assignments, quality = 0.441, support = 0.163, residual support = 0.125: HB3 LYS+ 20 - HE3 LYS+ 60 14.286% * 52.1194% (0.45 1.00 0.29 0.15) = 52.119% kept T HG3 LYS+ 81 - HE3 LYS+ 60 14.286% * 35.3361% (0.45 10.00 0.02 0.13) = 35.336% kept HB3 LEU 17 - HE3 LYS+ 60 14.286% * 3.6534% (0.47 1.00 0.02 0.02) = 3.653% kept QB ALA 11 - HE3 LYS+ 60 14.286% * 3.4636% (0.44 1.00 0.02 0.02) = 3.464% kept HG2 LYS+ 78 - HE3 LYS+ 60 14.286% * 2.5151% (0.32 1.00 0.02 0.02) = 2.515% kept QG2 THR 39 - HE3 LYS+ 60 14.286% * 1.7822% (0.23 1.00 0.02 0.02) = 1.782% kept HG13 ILE 68 - HE3 LYS+ 60 14.286% * 1.1301% (0.14 1.00 0.02 0.02) = 1.130% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 1513 (8.97, 1.57, 42.16 ppm): 12 chemical-shift based assignments, quality = 0.896, support = 5.4, residual support = 77.7: * O HN ILE 19 - HB ILE 19 8.333% * 78.1396% (0.92 10.0 6.19 96.68) = 78.140% kept HN MET 97 - HB ILE 19 8.333% * 11.4091% (0.92 1.0 2.92 8.12) = 11.409% kept HN LEU 17 - HB ILE 19 8.333% * 8.0828% (0.78 1.0 2.44 13.76) = 8.083% kept HN THR 96 - HB ILE 19 8.333% * 2.2427% (0.30 1.0 1.76 5.73) = 2.243% kept HN ARG+ 22 - HB ILE 19 8.333% * 0.0310% (0.37 1.0 0.02 1.47) = 0.031% HN MET 97 - HB3 LEU 90 8.333% * 0.0201% (0.24 1.0 0.02 0.02) = 0.020% HN ILE 19 - HB3 LEU 90 8.333% * 0.0201% (0.24 1.0 0.02 0.29) = 0.020% HN PHE 21 - HB ILE 19 8.333% * 0.0184% (0.22 1.0 0.02 4.21) = 0.018% HN LEU 17 - HB3 LEU 90 8.333% * 0.0170% (0.20 1.0 0.02 0.17) = 0.017% HN ARG+ 22 - HB3 LEU 90 8.333% * 0.0080% (0.09 1.0 0.02 0.02) = 0.008% HN THR 96 - HB3 LEU 90 8.333% * 0.0066% (0.08 1.0 0.02 0.02) = 0.007% HN PHE 21 - HB3 LEU 90 8.333% * 0.0047% (0.06 1.0 0.02 0.02) = 0.005% Peak 1514 (7.34, 1.57, 42.17 ppm): 14 chemical-shift based assignments, quality = 0.692, support = 2.72, residual support = 19.1: HZ PHE 34 - HB ILE 19 7.143% * 36.0335% (0.78 3.02 22.00) = 36.034% kept * QE PHE 34 - HB ILE 19 7.143% * 33.3518% (0.78 2.79 22.00) = 33.352% kept QD PHE 34 - HB ILE 19 7.143% * 17.2472% (0.33 3.39 22.00) = 17.247% kept HZ2 TRP 51 - HB ILE 19 7.143% * 11.3102% (0.78 0.95 0.48) = 11.310% kept HN VAL 47 - HB ILE 19 7.143% * 1.5648% (0.27 0.38 0.02) = 1.565% kept HE22 GLN 102 - HB ILE 19 7.143% * 0.1017% (0.33 0.02 0.02) = 0.102% HN ARG+ 84 - HB ILE 19 7.143% * 0.0744% (0.24 0.02 0.02) = 0.074% HZ2 TRP 51 - HB3 LEU 90 7.143% * 0.0701% (0.23 0.02 0.02) = 0.070% QE PHE 34 - HB3 LEU 90 7.143% * 0.0701% (0.23 0.02 0.02) = 0.070% HZ PHE 34 - HB3 LEU 90 7.143% * 0.0701% (0.23 0.02 0.02) = 0.070% QD PHE 34 - HB3 LEU 90 7.143% * 0.0299% (0.10 0.02 0.02) = 0.030% HE22 GLN 102 - HB3 LEU 90 7.143% * 0.0299% (0.10 0.02 0.02) = 0.030% HN VAL 47 - HB3 LEU 90 7.143% * 0.0244% (0.08 0.02 0.02) = 0.024% HN ARG+ 84 - HB3 LEU 90 7.143% * 0.0218% (0.07 0.02 0.02) = 0.022% Peak 1522 (4.81, 1.56, 42.22 ppm): 6 chemical-shift based assignments, quality = 0.832, support = 3.28, residual support = 17.4: HA GLU- 18 - HB ILE 19 16.667% * 68.6847% (0.93 4.33 25.23) = 68.685% kept HB THR 39 - HB ILE 19 16.667% * 12.9697% (0.93 0.82 0.14) = 12.970% kept HB THR 39 - HB3 LEU 90 16.667% * 9.8066% (0.42 1.39 0.55) = 9.807% kept HA LEU 23 - HB3 LEU 90 16.667% * 4.8310% (0.32 0.89 0.15) = 4.831% kept HA GLU- 18 - HB3 LEU 90 16.667% * 3.4657% (0.42 0.49 0.02) = 3.466% kept HA LEU 23 - HB ILE 19 16.667% * 0.2423% (0.71 0.02 0.02) = 0.242% Peak 1658 (1.68, 3.06, 42.20 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1659 (1.68, 2.97, 42.26 ppm): 27 chemical-shift based assignments, quality = 0.672, support = 0.78, residual support = 7.96: O HD3 LYS+ 55 - HE3 LYS+ 55 3.704% * 52.4280% (0.59 10.0 1.00 1.00 14.29) = 52.428% kept T HB3 MET 126 - HE3 LYS+ 113 3.704% * 42.8764% (0.81 1.0 10.00 0.60 1.09) = 42.876% kept T HB3 MET 126 - HE2 LYS+ 117 3.704% * 1.2365% (0.70 1.0 10.00 0.02 0.02) = 1.236% kept T HB3 MET 126 - HE3 LYS+ 55 3.704% * 1.0486% (0.59 1.0 10.00 0.02 0.02) = 1.049% kept HB3 LYS+ 81 - HE3 LYS+ 113 3.704% * 0.1571% (0.89 1.0 1.00 0.02 0.02) = 0.157% HD3 LYS+ 55 - HE3 LYS+ 113 3.704% * 0.1438% (0.81 1.0 1.00 0.02 0.89) = 0.144% HB3 LYS+ 81 - HE2 LYS+ 117 3.704% * 0.1351% (0.76 1.0 1.00 0.02 0.02) = 0.135% HB3 MET 97 - HE3 LYS+ 113 3.704% * 0.1339% (0.75 1.0 1.00 0.02 0.02) = 0.134% HG13 ILE 19 - HE3 LYS+ 113 3.704% * 0.1284% (0.72 1.0 1.00 0.02 0.02) = 0.128% HD3 LYS+ 55 - HE2 LYS+ 117 3.704% * 0.1236% (0.70 1.0 1.00 0.02 0.02) = 0.124% HB ILE 100 - HE3 LYS+ 113 3.704% * 0.1164% (0.66 1.0 1.00 0.02 0.02) = 0.116% HB3 MET 97 - HE2 LYS+ 117 3.704% * 0.1152% (0.65 1.0 1.00 0.02 0.02) = 0.115% HB3 LYS+ 81 - HE3 LYS+ 55 3.704% * 0.1146% (0.65 1.0 1.00 0.02 0.02) = 0.115% HG13 ILE 19 - HE2 LYS+ 117 3.704% * 0.1104% (0.62 1.0 1.00 0.02 0.02) = 0.110% HB3 LYS+ 66 - HE3 LYS+ 113 3.704% * 0.1101% (0.62 1.0 1.00 0.02 0.02) = 0.110% HG2 PRO 52 - HE3 LYS+ 113 3.704% * 0.1037% (0.58 1.0 1.00 0.02 0.02) = 0.104% HB ILE 100 - HE2 LYS+ 117 3.704% * 0.1001% (0.56 1.0 1.00 0.02 0.02) = 0.100% HB3 MET 97 - HE3 LYS+ 55 3.704% * 0.0977% (0.55 1.0 1.00 0.02 0.02) = 0.098% HB3 LYS+ 66 - HE2 LYS+ 117 3.704% * 0.0947% (0.53 1.0 1.00 0.02 0.02) = 0.095% HG13 ILE 19 - HE3 LYS+ 55 3.704% * 0.0936% (0.53 1.0 1.00 0.02 0.02) = 0.094% HG2 PRO 52 - HE2 LYS+ 117 3.704% * 0.0892% (0.50 1.0 1.00 0.02 0.02) = 0.089% HB ILE 100 - HE3 LYS+ 55 3.704% * 0.0849% (0.48 1.0 1.00 0.02 0.02) = 0.085% HB3 LYS+ 66 - HE3 LYS+ 55 3.704% * 0.0803% (0.45 1.0 1.00 0.02 0.02) = 0.080% HG3 ARG+ 84 - HE3 LYS+ 113 3.704% * 0.0780% (0.44 1.0 1.00 0.02 0.02) = 0.078% HG2 PRO 52 - HE3 LYS+ 55 3.704% * 0.0756% (0.43 1.0 1.00 0.02 2.54) = 0.076% HG3 ARG+ 84 - HE2 LYS+ 117 3.704% * 0.0671% (0.38 1.0 1.00 0.02 0.02) = 0.067% HG3 ARG+ 84 - HE3 LYS+ 55 3.704% * 0.0569% (0.32 1.0 1.00 0.02 0.02) = 0.057% Peak 1660 (1.40, 3.29, 42.22 ppm): 11 chemical-shift based assignments, quality = 0.857, support = 0.539, residual support = 0.119: HG13 ILE 100 - HD3 ARG+ 22 9.091% * 27.4273% (0.94 0.64 0.02) = 27.427% kept HG LEU 67 - HD3 ARG+ 22 9.091% * 25.7187% (0.91 0.61 0.32) = 25.719% kept HD3 LYS+ 20 - HD3 ARG+ 22 9.091% * 22.6610% (0.96 0.52 0.12) = 22.661% kept HG13 ILE 68 - HD3 ARG+ 22 9.091% * 14.8444% (0.60 0.54 0.02) = 14.844% kept QB ALA 93 - HD3 ARG+ 22 9.091% * 5.9838% (0.94 0.14 0.02) = 5.984% kept QB ALA 91 - HD3 ARG+ 22 9.091% * 1.5773% (0.25 0.14 0.02) = 1.577% kept QB ALA 37 - HD3 ARG+ 22 9.091% * 0.6957% (0.76 0.02 0.02) = 0.696% QG2 THR 39 - HD3 ARG+ 22 9.091% * 0.3742% (0.41 0.02 0.02) = 0.374% HD3 LYS+ 44 - HD3 ARG+ 22 9.091% * 0.3105% (0.34 0.02 0.02) = 0.311% HG2 LYS+ 78 - HD3 ARG+ 22 9.091% * 0.2270% (0.25 0.02 0.02) = 0.227% QG2 THR 38 - HD3 ARG+ 22 9.091% * 0.1801% (0.20 0.02 0.02) = 0.180% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 1661 (1.41, 3.06, 42.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1665 (1.04, 2.62, 41.87 ppm): 1 chemical-shift based assignment, quality = 0.256, support = 2.25, residual support = 34.5: * O T HG3 LYS+ 20 - HE3 LYS+ 20 100.000% *100.0000% (0.26 10.0 10.00 2.25 34.46) = 100.000% kept Peak 1666 (0.94, 2.97, 42.26 ppm): 30 chemical-shift based assignments, quality = 0.474, support = 0.0626, residual support = 0.0234: QG2 ILE 29 - HE3 LYS+ 113 3.333% * 15.2063% (0.46 0.14 0.02) = 15.206% kept QG2 VAL 62 - HE3 LYS+ 113 3.333% * 14.4365% (0.56 0.11 0.02) = 14.436% kept QG2 VAL 73 - HE3 LYS+ 113 3.333% * 10.4960% (0.48 0.09 0.02) = 10.496% kept HG3 LYS+ 110 - HE2 LYS+ 117 3.333% * 8.1637% (0.43 0.08 0.02) = 8.164% kept QG1 VAL 105 - HE3 LYS+ 113 3.333% * 3.1879% (0.67 0.02 0.02) = 3.188% kept QD1 LEU 17 - HE3 LYS+ 113 3.333% * 3.1808% (0.67 0.02 0.02) = 3.181% kept QG2 VAL 105 - HE3 LYS+ 113 3.333% * 3.1597% (0.66 0.02 0.02) = 3.160% kept QG1 VAL 105 - HE2 LYS+ 117 3.333% * 2.6998% (0.56 0.02 0.02) = 2.700% kept QD1 LEU 17 - HE2 LYS+ 117 3.333% * 2.6938% (0.56 0.02 0.02) = 2.694% kept QG2 VAL 105 - HE2 LYS+ 117 3.333% * 2.6759% (0.56 0.02 0.02) = 2.676% kept HG12 ILE 68 - HE3 LYS+ 113 3.333% * 2.6627% (0.56 0.02 0.02) = 2.663% kept HG3 LYS+ 110 - HE3 LYS+ 113 3.333% * 2.4363% (0.51 0.02 0.02) = 2.436% kept QG2 VAL 62 - HE2 LYS+ 117 3.333% * 2.2550% (0.47 0.02 0.02) = 2.255% kept HG12 ILE 68 - HE2 LYS+ 117 3.333% * 2.2550% (0.47 0.02 0.02) = 2.255% kept QG2 VAL 80 - HE3 LYS+ 113 3.333% * 2.0623% (0.43 0.02 0.02) = 2.062% kept QG2 VAL 73 - HE2 LYS+ 117 3.333% * 1.9604% (0.41 0.02 0.14) = 1.960% kept QG1 VAL 105 - HE3 LYS+ 55 3.333% * 1.9313% (0.40 0.02 0.02) = 1.931% kept QD1 LEU 17 - HE3 LYS+ 55 3.333% * 1.9271% (0.40 0.02 0.02) = 1.927% kept QG2 VAL 105 - HE3 LYS+ 55 3.333% * 1.9143% (0.40 0.02 0.02) = 1.914% kept QG2 ILE 29 - HE2 LYS+ 117 3.333% * 1.8545% (0.39 0.02 0.02) = 1.854% kept QG2 VAL 80 - HE2 LYS+ 117 3.333% * 1.7465% (0.37 0.02 0.10) = 1.746% kept QG2 VAL 62 - HE3 LYS+ 55 3.333% * 1.6132% (0.34 0.02 0.02) = 1.613% kept HG12 ILE 68 - HE3 LYS+ 55 3.333% * 1.6132% (0.34 0.02 0.02) = 1.613% kept HG3 LYS+ 110 - HE3 LYS+ 55 3.333% * 1.4760% (0.31 0.02 0.02) = 1.476% kept QG2 VAL 73 - HE3 LYS+ 55 3.333% * 1.4024% (0.29 0.02 0.02) = 1.402% kept QG2 ILE 29 - HE3 LYS+ 55 3.333% * 1.3267% (0.28 0.02 0.02) = 1.327% kept QG2 VAL 80 - HE3 LYS+ 55 3.333% * 1.2494% (0.26 0.02 0.02) = 1.249% kept QG2 VAL 99 - HE3 LYS+ 113 3.333% * 0.9839% (0.21 0.02 0.02) = 0.984% QG2 VAL 99 - HE2 LYS+ 117 3.333% * 0.8333% (0.17 0.02 0.02) = 0.833% QG2 VAL 99 - HE3 LYS+ 55 3.333% * 0.5961% (0.12 0.02 0.02) = 0.596% Not enough support, support cutoff is 0.27 Peak unassigned. Peak 1667 (0.93, 2.87, 42.07 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1669 (0.73, 3.00, 42.26 ppm): 27 chemical-shift based assignments, quality = 0.699, support = 0.0854, residual support = 0.0366: QG1 VAL 40 - HE3 LYS+ 55 3.704% * 28.4239% (0.89 0.19 0.02) = 28.424% kept HG3 LYS+ 66 - HE3 LYS+ 55 3.704% * 11.4114% (0.75 0.09 0.02) = 11.411% kept QG2 ILE 101 - HE3 LYS+ 55 3.704% * 7.5068% (0.47 0.09 0.02) = 7.507% kept QG2 ILE 48 - HE3 LYS+ 113 3.704% * 7.2639% (0.50 0.08 0.02) = 7.264% kept QD1 ILE 68 - HE3 LYS+ 55 3.704% * 3.0434% (0.89 0.02 0.02) = 3.043% kept QG2 VAL 65 - HE3 LYS+ 55 3.704% * 3.0165% (0.88 0.02 0.02) = 3.016% kept QD1 ILE 68 - HE3 LYS+ 113 3.704% * 2.5728% (0.75 0.02 0.02) = 2.573% kept QG1 VAL 40 - HE3 LYS+ 113 3.704% * 2.5671% (0.75 0.02 0.02) = 2.567% kept QG2 VAL 65 - HE3 LYS+ 113 3.704% * 2.5500% (0.75 0.02 0.02) = 2.550% kept HG3 LYS+ 44 - HE3 LYS+ 55 3.704% * 2.5421% (0.75 0.02 0.02) = 2.542% kept QD1 ILE 68 - HE2 LYS+ 117 3.704% * 2.3383% (0.69 0.02 0.02) = 2.338% kept QG1 VAL 40 - HE2 LYS+ 117 3.704% * 2.3331% (0.68 0.02 0.02) = 2.333% kept QG2 VAL 65 - HE2 LYS+ 117 3.704% * 2.3176% (0.68 0.02 0.02) = 2.318% kept HG LEU 74 - HE3 LYS+ 55 3.704% * 2.2100% (0.65 0.02 0.02) = 2.210% kept HG3 LYS+ 44 - HE3 LYS+ 113 3.704% * 2.1490% (0.63 0.02 0.02) = 2.149% kept HG3 LYS+ 66 - HE3 LYS+ 113 3.704% * 2.1490% (0.63 0.02 0.02) = 2.149% kept QG2 ILE 48 - HE3 LYS+ 55 3.704% * 2.0228% (0.59 0.02 0.02) = 2.023% kept HG3 LYS+ 44 - HE2 LYS+ 117 3.704% * 1.9531% (0.57 0.02 0.02) = 1.953% kept HG3 LYS+ 66 - HE2 LYS+ 117 3.704% * 1.9531% (0.57 0.02 0.02) = 1.953% kept HG LEU 74 - HE3 LYS+ 113 3.704% * 1.8682% (0.55 0.02 0.02) = 1.868% kept HG LEU 74 - HE2 LYS+ 117 3.704% * 1.6980% (0.50 0.02 1.02) = 1.698% kept QG2 ILE 48 - HE2 LYS+ 117 3.704% * 1.5542% (0.46 0.02 0.02) = 1.554% kept QG2 ILE 101 - HE3 LYS+ 113 3.704% * 1.3476% (0.40 0.02 0.02) = 1.348% kept QG2 ILE 101 - HE2 LYS+ 117 3.704% * 1.2248% (0.36 0.02 0.02) = 1.225% kept QG2 THR 96 - HE3 LYS+ 55 3.704% * 0.7589% (0.22 0.02 0.02) = 0.759% QG2 THR 96 - HE3 LYS+ 113 3.704% * 0.6415% (0.19 0.02 0.02) = 0.642% QG2 THR 96 - HE2 LYS+ 117 3.704% * 0.5831% (0.17 0.02 0.02) = 0.583% Not enough support, support cutoff is 0.27 Peak unassigned. Peak 1670 (0.69, 2.62, 41.87 ppm): 10 chemical-shift based assignments, quality = 0.238, support = 3.25, residual support = 44.3: T QD1 ILE 19 - HE3 LYS+ 20 10.000% * 83.8792% (0.24 10.00 3.26 45.32) = 83.879% kept HG12 ILE 19 - HE3 LYS+ 20 10.000% * 13.6891% (0.22 1.00 3.66 45.32) = 13.689% kept QG2 VAL 94 - HE3 LYS+ 20 10.000% * 1.9504% (0.23 1.00 0.50 4.01) = 1.950% kept QG2 ILE 48 - HE3 LYS+ 20 10.000% * 0.0911% (0.26 1.00 0.02 0.02) = 0.091% QG2 ILE 101 - HE3 LYS+ 20 10.000% * 0.0910% (0.26 1.00 0.02 0.02) = 0.091% QG1 VAL 65 - HE3 LYS+ 20 10.000% * 0.0885% (0.26 1.00 0.02 0.02) = 0.088% QG2 ILE 68 - HE3 LYS+ 20 10.000% * 0.0781% (0.23 1.00 0.02 0.02) = 0.078% * QG2 THR 96 - HE3 LYS+ 20 10.000% * 0.0749% (0.22 1.00 0.02 1.78) = 0.075% QG1 VAL 62 - HE3 LYS+ 20 10.000% * 0.0289% (0.08 1.00 0.02 0.66) = 0.029% HG LEU 74 - HE3 LYS+ 20 10.000% * 0.0289% (0.08 1.00 0.02 0.02) = 0.029% Reference assignment eliminated. Peak 1671 (0.69, 1.57, 42.22 ppm): 20 chemical-shift based assignments, quality = 0.867, support = 5.96, residual support = 93.0: * O QD1 ILE 19 - HB ILE 19 5.000% * 50.4792% (0.91 10.0 5.99 96.68) = 50.479% kept O HG12 ILE 19 - HB ILE 19 5.000% * 45.6755% (0.83 10.0 6.33 96.68) = 45.675% kept QG2 VAL 94 - HB ILE 19 5.000% * 3.4100% (0.86 1.0 1.44 0.38) = 3.410% kept QG2 ILE 48 - HB ILE 19 5.000% * 0.0535% (0.97 1.0 0.02 0.02) = 0.053% QG2 ILE 101 - HB ILE 19 5.000% * 0.0527% (0.95 1.0 0.02 0.02) = 0.053% QG1 VAL 65 - HB ILE 19 5.000% * 0.0505% (0.91 1.0 0.02 0.02) = 0.050% QG2 ILE 68 - HB ILE 19 5.000% * 0.0474% (0.86 1.0 0.02 0.02) = 0.047% QG2 THR 96 - HB ILE 19 5.000% * 0.0418% (0.76 1.0 0.02 5.73) = 0.042% QG2 ILE 48 - HB3 LEU 90 5.000% * 0.0197% (0.36 1.0 0.02 0.02) = 0.020% QG2 ILE 101 - HB3 LEU 90 5.000% * 0.0194% (0.35 1.0 0.02 0.02) = 0.019% QG1 VAL 62 - HB ILE 19 5.000% * 0.0187% (0.34 1.0 0.02 0.12) = 0.019% QG1 VAL 65 - HB3 LEU 90 5.000% * 0.0186% (0.34 1.0 0.02 0.02) = 0.019% QD1 ILE 19 - HB3 LEU 90 5.000% * 0.0186% (0.34 1.0 0.02 0.29) = 0.019% QG2 VAL 94 - HB3 LEU 90 5.000% * 0.0174% (0.32 1.0 0.02 0.02) = 0.017% QG2 ILE 68 - HB3 LEU 90 5.000% * 0.0174% (0.32 1.0 0.02 0.02) = 0.017% HG12 ILE 19 - HB3 LEU 90 5.000% * 0.0168% (0.30 1.0 0.02 0.29) = 0.017% QG2 THR 96 - HB3 LEU 90 5.000% * 0.0154% (0.28 1.0 0.02 0.02) = 0.015% HG LEU 74 - HB ILE 19 5.000% * 0.0152% (0.27 1.0 0.02 0.02) = 0.015% QG1 VAL 62 - HB3 LEU 90 5.000% * 0.0069% (0.12 1.0 0.02 0.02) = 0.007% HG LEU 74 - HB3 LEU 90 5.000% * 0.0056% (0.10 1.0 0.02 0.11) = 0.006% Peak 1672 (0.02, 1.57, 42.22 ppm): 2 chemical-shift based assignments, quality = 0.96, support = 6.4, residual support = 96.6: * O QG2 ILE 19 - HB ILE 19 50.000% * 99.9586% (0.96 10.0 6.41 96.68) = 99.959% kept QG2 ILE 19 - HB3 LEU 90 50.000% * 0.0414% (0.40 1.0 0.02 0.29) = 0.041% Peak 1674 (8.88, 1.62, 41.82 ppm): 3 chemical-shift based assignments, quality = 0.66, support = 6.1, residual support = 84.8: * O HN ILE 68 - HB ILE 68 33.333% * 91.4502% (0.64 10.0 6.54 92.71) = 91.450% kept HN ASP- 36 - HB ILE 68 33.333% * 8.5293% (0.90 1.0 1.33 0.69) = 8.529% kept HN GLN 102 - HB ILE 68 33.333% * 0.0205% (0.14 1.0 0.02 0.02) = 0.021% Peak 1675 (7.35, 2.80, 41.80 ppm): 14 chemical-shift based assignments, quality = 0.562, support = 1.86, residual support = 6.21: QE PHE 34 - HE3 LYS+ 32 7.143% * 28.5636% (0.63 2.34 9.22) = 28.564% kept * HZ PHE 34 - HE3 LYS+ 32 7.143% * 26.5110% (0.63 2.17 9.22) = 26.511% kept HZ2 TRP 51 - HE3 LYS+ 32 7.143% * 21.3908% (0.63 1.75 1.46) = 21.391% kept HE22 GLN 102 - HE3 LYS+ 32 7.143% * 8.2308% (0.35 1.19 1.39) = 8.231% kept QD PHE 34 - HE3 LYS+ 32 7.143% * 7.5881% (0.24 1.62 9.22) = 7.588% kept HZ2 TRP 51 - HE3 LYS+ 111 7.143% * 4.3303% (0.67 0.33 0.02) = 4.330% kept HE22 GLN 102 - HE3 LYS+ 111 7.143% * 2.1338% (0.38 0.29 0.02) = 2.134% kept HN VAL 47 - HE3 LYS+ 32 7.143% * 0.4093% (0.19 0.11 0.02) = 0.409% QE PHE 34 - HE3 LYS+ 111 7.143% * 0.2618% (0.67 0.02 0.02) = 0.262% HZ PHE 34 - HE3 LYS+ 111 7.143% * 0.2618% (0.67 0.02 0.02) = 0.262% QD PHE 34 - HE3 LYS+ 111 7.143% * 0.1003% (0.26 0.02 0.02) = 0.100% HN VAL 47 - HE3 LYS+ 111 7.143% * 0.0803% (0.21 0.02 0.02) = 0.080% HN ARG+ 84 - HE3 LYS+ 111 7.143% * 0.0714% (0.18 0.02 0.02) = 0.071% HN ARG+ 84 - HE3 LYS+ 32 7.143% * 0.0666% (0.17 0.02 0.02) = 0.067% Peak 1676 (4.98, 1.63, 41.87 ppm): 4 chemical-shift based assignments, quality = 0.689, support = 4.75, residual support = 71.6: * O HA ILE 68 - HB ILE 68 25.000% * 75.1546% (0.64 10.0 5.39 92.71) = 75.155% kept HA SER 69 - HB ILE 68 25.000% * 17.1236% (0.94 1.0 3.13 10.87) = 17.124% kept HA MET 97 - HB ILE 68 25.000% * 7.6381% (0.61 1.0 2.16 0.46) = 7.638% kept HA PRO 31 - HB ILE 68 25.000% * 0.0836% (0.71 1.0 0.02 0.02) = 0.084% Peak 1679 (3.74, 1.16, 41.79 ppm): 4 chemical-shift based assignments, quality = 0.825, support = 4.05, residual support = 147.9: * O T HA LEU 43 - HB2 LEU 43 25.000% * 82.0743% (0.87 10.0 10.00 4.80 179.96) = 82.074% kept T HA LEU 43 - HB2 LEU 74 25.000% * 17.7866% (0.61 1.0 10.00 0.62 1.31) = 17.787% kept HD3 PRO 104 - HB2 LEU 43 25.000% * 0.0821% (0.87 1.0 1.00 0.02 0.02) = 0.082% HD3 PRO 104 - HB2 LEU 74 25.000% * 0.0570% (0.61 1.0 1.00 0.02 0.02) = 0.057% Peak 1682 (2.81, 2.80, 41.87 ppm): 2 diagonal assignments: * HE3 LYS+ 111 - HE3 LYS+ 111 (0.97) kept HE3 LYS+ 32 - HE3 LYS+ 32 (0.93) kept Peak 1683 (2.73, 2.73, 41.82 ppm): 1 diagonal assignment: * HB3 ASP- 115 - HB3 ASP- 115 (0.93) kept Peak 1684 (2.72, 2.54, 41.72 ppm): 3 chemical-shift based assignments, quality = 0.834, support = 2.0, residual support = 18.6: * O HB3 ASP- 115 - HB2 ASP- 115 33.333% * 99.8496% (0.84 10.0 2.00 18.67) = 99.850% kept HB3 PHE 21 - HB2 ASP- 115 33.333% * 0.1149% (0.96 1.0 0.02 0.02) = 0.115% HE3 LYS+ 120 - HB2 ASP- 115 33.333% * 0.0355% (0.30 1.0 0.02 0.02) = 0.036% Peak 1687 (2.62, 2.62, 41.91 ppm): 1 diagonal assignment: * HE3 LYS+ 20 - HE3 LYS+ 20 (0.38) kept Peak 1688 (2.55, 2.73, 41.78 ppm): 3 chemical-shift based assignments, quality = 0.539, support = 2.0, residual support = 18.7: * O T HB2 ASP- 115 - HB3 ASP- 115 33.333% * 99.9292% (0.54 10.0 10.00 2.00 18.67) = 99.929% kept HG2 PRO 112 - HB3 ASP- 115 33.333% * 0.0435% (0.24 1.0 1.00 0.02 0.02) = 0.044% HB2 ASP- 36 - HB3 ASP- 115 33.333% * 0.0272% (0.15 1.0 1.00 0.02 0.02) = 0.027% Peak 1694 (2.11, 1.16, 41.76 ppm): 28 chemical-shift based assignments, quality = 0.822, support = 4.71, residual support = 151.8: * O T HB3 LEU 43 - HB2 LEU 43 3.571% * 82.6905% (0.87 10.0 10.00 5.17 179.96) = 82.690% kept HB3 GLU- 75 - HB2 LEU 74 3.571% * 10.6334% (0.61 1.0 1.00 3.67 27.89) = 10.633% kept HG2 PRO 112 - HB2 LEU 74 3.571% * 2.7361% (0.54 1.0 1.00 1.07 0.48) = 2.736% kept HB3 GLU- 75 - HB2 LEU 43 3.571% * 2.4542% (0.84 1.0 1.00 0.61 0.02) = 2.454% kept T HB3 LEU 43 - HB2 LEU 74 3.571% * 0.6000% (0.63 1.0 10.00 0.02 1.31) = 0.600% HB VAL 87 - HB2 LEU 43 3.571% * 0.0763% (0.80 1.0 1.00 0.02 0.02) = 0.076% HB2 GLU- 56 - HB2 LEU 43 3.571% * 0.0742% (0.78 1.0 1.00 0.02 0.02) = 0.074% HG2 PRO 112 - HB2 LEU 43 3.571% * 0.0708% (0.75 1.0 1.00 0.02 0.02) = 0.071% HB VAL 65 - HB2 LEU 43 3.571% * 0.0632% (0.67 1.0 1.00 0.02 0.02) = 0.063% HB VAL 105 - HB2 LEU 43 3.571% * 0.0568% (0.60 1.0 1.00 0.02 0.02) = 0.057% HB VAL 87 - HB2 LEU 74 3.571% * 0.0554% (0.58 1.0 1.00 0.02 0.02) = 0.055% HB2 GLU- 56 - HB2 LEU 74 3.571% * 0.0538% (0.57 1.0 1.00 0.02 0.02) = 0.054% HB2 MET 118 - HB2 LEU 43 3.571% * 0.0468% (0.49 1.0 1.00 0.02 0.02) = 0.047% HB VAL 65 - HB2 LEU 74 3.571% * 0.0459% (0.48 1.0 1.00 0.02 0.02) = 0.046% HB VAL 105 - HB2 LEU 74 3.571% * 0.0412% (0.43 1.0 1.00 0.02 0.02) = 0.041% HG2 GLU- 45 - HB2 LEU 43 3.571% * 0.0402% (0.42 1.0 1.00 0.02 0.02) = 0.040% HB VAL 125 - HB2 LEU 43 3.571% * 0.0340% (0.36 1.0 1.00 0.02 0.14) = 0.034% HB2 MET 118 - HB2 LEU 74 3.571% * 0.0340% (0.36 1.0 1.00 0.02 0.02) = 0.034% HG2 GLU- 45 - HB2 LEU 74 3.571% * 0.0292% (0.31 1.0 1.00 0.02 0.02) = 0.029% HB2 LYS+ 110 - HB2 LEU 43 3.571% * 0.0282% (0.30 1.0 1.00 0.02 0.11) = 0.028% HB VAL 125 - HB2 LEU 74 3.571% * 0.0247% (0.26 1.0 1.00 0.02 0.02) = 0.025% HD3 LYS+ 110 - HB2 LEU 43 3.571% * 0.0230% (0.24 1.0 1.00 0.02 0.11) = 0.023% HB2 LYS+ 110 - HB2 LEU 74 3.571% * 0.0205% (0.22 1.0 1.00 0.02 0.02) = 0.020% HB2 ASP- 28 - HB2 LEU 43 3.571% * 0.0184% (0.19 1.0 1.00 0.02 0.02) = 0.018% HD3 LYS+ 110 - HB2 LEU 74 3.571% * 0.0167% (0.18 1.0 1.00 0.02 0.02) = 0.017% HB2 ASP- 28 - HB2 LEU 74 3.571% * 0.0134% (0.14 1.0 1.00 0.02 0.02) = 0.013% HG2 GLN 16 - HB2 LEU 43 3.571% * 0.0112% (0.12 1.0 1.00 0.02 0.13) = 0.011% HG2 GLN 16 - HB2 LEU 74 3.571% * 0.0081% (0.09 1.0 1.00 0.02 0.02) = 0.008% Peak 1696 (1.59, 2.80, 41.88 ppm): 16 chemical-shift based assignments, quality = 0.887, support = 2.38, residual support = 36.8: * O HD3 LYS+ 32 - HE3 LYS+ 32 6.250% * 80.5927% (0.91 10.0 2.13 38.07) = 80.593% kept HB3 LYS+ 32 - HE3 LYS+ 32 6.250% * 16.0294% (0.88 1.0 4.09 38.07) = 16.029% kept HG2 LYS+ 110 - HE3 LYS+ 111 6.250% * 1.9819% (0.61 1.0 0.74 0.02) = 1.982% kept HB3 PRO 52 - HE3 LYS+ 32 6.250% * 0.6766% (0.79 1.0 0.19 0.02) = 0.677% HB3 PRO 52 - HE3 LYS+ 111 6.250% * 0.3485% (0.75 1.0 0.10 0.02) = 0.348% HD3 LYS+ 32 - HE3 LYS+ 111 6.250% * 0.0768% (0.87 1.0 0.02 0.02) = 0.077% HB3 LYS+ 32 - HE3 LYS+ 111 6.250% * 0.0746% (0.84 1.0 0.02 0.02) = 0.075% HG2 LYS+ 110 - HE3 LYS+ 32 6.250% * 0.0565% (0.64 1.0 0.02 0.02) = 0.056% HG3 LYS+ 78 - HE3 LYS+ 32 6.250% * 0.0269% (0.30 1.0 0.02 0.02) = 0.027% HG3 LYS+ 78 - HE3 LYS+ 111 6.250% * 0.0257% (0.29 1.0 0.02 0.02) = 0.026% HB ILE 19 - HE3 LYS+ 32 6.250% * 0.0218% (0.25 1.0 0.02 0.49) = 0.022% HB ILE 19 - HE3 LYS+ 111 6.250% * 0.0208% (0.23 1.0 0.02 0.02) = 0.021% HG LEU 17 - HE3 LYS+ 32 6.250% * 0.0194% (0.22 1.0 0.02 0.59) = 0.019% HG LEU 17 - HE3 LYS+ 111 6.250% * 0.0185% (0.21 1.0 0.02 0.02) = 0.019% HD3 LYS+ 60 - HE3 LYS+ 32 6.250% * 0.0153% (0.17 1.0 0.02 0.16) = 0.015% HD3 LYS+ 60 - HE3 LYS+ 111 6.250% * 0.0146% (0.16 1.0 0.02 0.02) = 0.015% Peak 1697 (1.63, 2.10, 41.79 ppm): 10 chemical-shift based assignments, quality = 0.777, support = 5.1, residual support = 178.8: * O T HG LEU 43 - HB3 LEU 43 10.000% * 99.3528% (0.78 10.0 10.00 5.14 179.96) = 99.353% kept HG LEU 23 - HB3 LEU 43 10.000% * 0.1083% (0.85 1.0 1.00 0.02 0.02) = 0.108% HG12 ILE 101 - HB3 LEU 43 10.000% * 0.1027% (0.81 1.0 1.00 0.02 0.02) = 0.103% HB VAL 122 - HB3 LEU 43 10.000% * 0.0994% (0.78 1.0 1.00 0.02 0.02) = 0.099% HB ILE 68 - HB3 LEU 43 10.000% * 0.0994% (0.78 1.0 1.00 0.02 0.61) = 0.099% HG2 ARG+ 22 - HB3 LEU 43 10.000% * 0.0875% (0.69 1.0 1.00 0.02 0.02) = 0.088% HG3 LYS+ 78 - HB3 LEU 43 10.000% * 0.0695% (0.55 1.0 1.00 0.02 0.02) = 0.069% HG2 LYS+ 110 - HB3 LEU 43 10.000% * 0.0318% (0.25 1.0 1.00 0.02 0.11) = 0.032% HG3 ARG+ 84 - HB3 LEU 43 10.000% * 0.0286% (0.22 1.0 1.00 0.02 0.02) = 0.029% HB3 PRO 52 - HB3 LEU 43 10.000% * 0.0201% (0.16 1.0 1.00 0.02 0.02) = 0.020% Peak 1698 (1.44, 2.75, 41.95 ppm): 14 chemical-shift based assignments, quality = 0.294, support = 0.538, residual support = 0.195: HG3 ARG+ 22 - HB3 ASP- 115 7.143% * 40.0469% (0.32 0.75 0.46) = 40.047% kept HG3 LYS+ 113 - HB3 ASP- 115 7.143% * 30.0046% (0.35 0.53 0.02) = 30.005% kept HG2 PRO 59 - HB3 ASP- 115 7.143% * 13.4950% (0.21 0.39 0.02) = 13.495% kept HG3 LYS+ 60 - HB3 ASP- 115 7.143% * 9.6664% (0.21 0.28 0.02) = 9.666% kept HG LEU 90 - HB3 ASP- 115 7.143% * 1.2330% (0.37 0.02 0.02) = 1.233% kept HG3 LYS+ 55 - HB3 ASP- 115 7.143% * 1.0696% (0.32 0.02 0.02) = 1.070% kept HD3 LYS+ 113 - HB3 ASP- 115 7.143% * 1.0299% (0.31 0.02 0.02) = 1.030% kept QG2 THR 38 - HB3 ASP- 115 7.143% * 0.8954% (0.27 0.02 0.02) = 0.895% QB ALA 91 - HB3 ASP- 115 7.143% * 0.7976% (0.24 0.02 0.02) = 0.798% HD3 LYS+ 44 - HB3 ASP- 115 7.143% * 0.6487% (0.20 0.02 0.02) = 0.649% HG13 ILE 48 - HB3 ASP- 115 7.143% * 0.4628% (0.14 0.02 0.62) = 0.463% HG3 PRO 52 - HB3 ASP- 115 7.143% * 0.2440% (0.07 0.02 0.02) = 0.244% QB ALA 37 - HB3 ASP- 115 7.143% * 0.2159% (0.07 0.02 0.02) = 0.216% HB3 LEU 67 - HB3 ASP- 115 7.143% * 0.1902% (0.06 0.02 0.02) = 0.190% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 1699 (1.39, 2.62, 42.03 ppm): 11 chemical-shift based assignments, quality = 0.659, support = 1.35, residual support = 34.2: * O HD3 LYS+ 20 - HE3 LYS+ 20 9.091% * 93.8669% (0.69 10.0 1.24 34.46) = 93.867% kept HB3 LYS+ 20 - HE3 LYS+ 20 9.091% * 5.3542% (0.14 1.0 3.50 34.46) = 5.354% kept HG13 ILE 68 - HE3 LYS+ 20 9.091% * 0.1340% (0.61 1.0 0.02 0.02) = 0.134% HG13 ILE 100 - HE3 LYS+ 20 9.091% * 0.1121% (0.51 1.0 0.02 0.02) = 0.112% QB ALA 93 - HE3 LYS+ 20 9.091% * 0.1121% (0.51 1.0 0.02 0.11) = 0.112% QG2 THR 39 - HE3 LYS+ 20 9.091% * 0.1061% (0.49 1.0 0.02 0.50) = 0.106% HG LEU 67 - HE3 LYS+ 20 9.091% * 0.1061% (0.49 1.0 0.02 0.02) = 0.106% HG2 LYS+ 78 - HE3 LYS+ 20 9.091% * 0.0752% (0.34 1.0 0.02 0.02) = 0.075% QB ALA 37 - HE3 LYS+ 20 9.091% * 0.0752% (0.34 1.0 0.02 0.02) = 0.075% QB ALA 11 - HE3 LYS+ 20 9.091% * 0.0344% (0.16 1.0 0.02 0.02) = 0.034% HD3 LYS+ 44 - HE3 LYS+ 20 9.091% * 0.0238% (0.11 1.0 0.02 0.02) = 0.024% Peak 1701 (1.20, 1.28, 41.97 ppm): 6 chemical-shift based assignments, quality = 0.391, support = 5.0, residual support = 142.9: * O HB2 LEU 74 - HB3 LEU 74 16.667% * 88.6252% (0.38 10.0 5.36 159.05) = 88.625% kept HB2 LEU 67 - HB3 LEU 74 16.667% * 11.1994% (0.45 1.0 2.17 17.19) = 11.199% kept HB3 ARG+ 22 - HB3 LEU 74 16.667% * 0.0749% (0.32 1.0 0.02 0.02) = 0.075% QG2 THR 106 - HB3 LEU 74 16.667% * 0.0405% (0.18 1.0 0.02 0.02) = 0.041% HG12 ILE 100 - HB3 LEU 74 16.667% * 0.0319% (0.14 1.0 0.02 0.02) = 0.032% HB2 LEU 43 - HB3 LEU 74 16.667% * 0.0281% (0.12 1.0 0.02 1.31) = 0.028% Peak 1705 (1.17, 2.10, 41.75 ppm): 5 chemical-shift based assignments, quality = 0.836, support = 5.12, residual support = 178.3: * O T HB2 LEU 43 - HB3 LEU 43 20.000% * 99.0775% (0.84 10.0 10.00 5.17 179.96) = 99.078% kept T HB2 LEU 74 - HB3 LEU 43 20.000% * 0.6866% (0.58 1.0 10.00 0.02 1.31) = 0.687% HG3 PRO 59 - HB3 LEU 43 20.000% * 0.0965% (0.82 1.0 1.00 0.02 0.02) = 0.096% QG2 THR 106 - HB3 LEU 43 20.000% * 0.0946% (0.81 1.0 1.00 0.02 0.02) = 0.095% QB ALA 33 - HB3 LEU 43 20.000% * 0.0448% (0.38 1.0 1.00 0.02 0.02) = 0.045% Peak 1706 (0.87, 1.17, 41.85 ppm): 14 chemical-shift based assignments, quality = 0.456, support = 1.2, residual support = 3.79: QG2 VAL 40 - HB2 LEU 74 7.143% * 26.3674% (0.14 3.39 11.48) = 26.367% kept QG2 VAL 125 - HB2 LEU 43 7.143% * 16.4618% (0.76 0.40 0.14) = 16.462% kept QG2 ILE 100 - HB2 LEU 74 7.143% * 14.0461% (0.87 0.29 0.02) = 14.046% kept QG2 VAL 125 - HB2 LEU 74 7.143% * 11.4690% (0.70 0.30 0.02) = 11.469% kept * QG2 VAL 40 - HB2 LEU 43 7.143% * 8.6712% (0.15 1.04 4.76) = 8.671% kept QG1 VAL 80 - HB2 LEU 43 7.143% * 7.5726% (0.41 0.34 4.17) = 7.573% kept QG1 VAL 80 - HB2 LEU 74 7.143% * 7.4573% (0.38 0.36 0.02) = 7.457% kept QG2 VAL 13 - HB2 LEU 74 7.143% * 4.4394% (0.21 0.40 0.02) = 4.439% kept QG2 ILE 100 - HB2 LEU 43 7.143% * 1.0228% (0.94 0.02 0.02) = 1.023% kept QD1 LEU 90 - HB2 LEU 43 7.143% * 0.9981% (0.91 0.02 0.02) = 0.998% QD1 LEU 90 - HB2 LEU 74 7.143% * 0.9311% (0.85 0.02 0.11) = 0.931% QG2 VAL 13 - HB2 LEU 43 7.143% * 0.2407% (0.22 0.02 0.02) = 0.241% QG2 VAL 87 - HB2 LEU 43 7.143% * 0.1668% (0.15 0.02 0.02) = 0.167% QG2 VAL 87 - HB2 LEU 74 7.143% * 0.1556% (0.14 0.02 0.02) = 0.156% Peak 1707 (0.75, 2.86, 42.04 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1708 (0.73, 2.76, 42.04 ppm): 10 chemical-shift based assignments, quality = 0.125, support = 0.355, residual support = 0.454: QG2 ILE 48 - HB3 ASP- 115 10.000% * 72.1419% (0.12 0.48 0.62) = 72.142% kept QG1 VAL 40 - HB3 ASP- 115 10.000% * 4.4057% (0.17 0.02 0.02) = 4.406% kept QD1 ILE 68 - HB3 ASP- 115 10.000% * 4.3959% (0.17 0.02 0.02) = 4.396% kept QG2 VAL 65 - HB3 ASP- 115 10.000% * 4.3184% (0.17 0.02 0.02) = 4.318% kept HG3 LYS+ 44 - HB3 ASP- 115 10.000% * 3.5278% (0.14 0.02 0.02) = 3.528% kept HG3 LYS+ 66 - HB3 ASP- 115 10.000% * 3.5278% (0.14 0.02 0.02) = 3.528% kept HG LEU 74 - HB3 ASP- 115 10.000% * 3.3669% (0.13 0.02 0.02) = 3.367% kept QG2 ILE 101 - HB3 ASP- 115 10.000% * 2.4110% (0.10 0.02 0.02) = 2.411% kept QG2 THR 96 - HB3 ASP- 115 10.000% * 1.2249% (0.05 0.02 0.02) = 1.225% kept QG1 VAL 65 - HB3 ASP- 115 10.000% * 0.6798% (0.03 0.02 0.02) = 0.680% Not enough quality. Peak unassigned. Peak 1709 (0.73, 1.28, 41.94 ppm): 9 chemical-shift based assignments, quality = 0.558, support = 4.44, residual support = 125.4: * O HG LEU 74 - HB3 LEU 74 11.111% * 77.6130% (0.51 10.0 5.13 159.05) = 77.613% kept QG1 VAL 40 - HB3 LEU 74 11.111% * 16.3576% (0.81 1.0 2.65 11.48) = 16.358% kept QD1 ILE 68 - HB3 LEU 74 11.111% * 3.1938% (0.82 1.0 0.51 1.08) = 3.194% kept QG2 ILE 101 - HB3 LEU 74 11.111% * 1.4652% (0.38 1.0 0.50 0.02) = 1.465% kept QG2 ILE 48 - HB3 LEU 74 11.111% * 0.9840% (0.53 1.0 0.24 0.02) = 0.984% QG2 VAL 65 - HB3 LEU 74 11.111% * 0.1277% (0.84 1.0 0.02 0.02) = 0.128% HG3 LYS+ 44 - HB3 LEU 74 11.111% * 0.1181% (0.77 1.0 0.02 0.61) = 0.118% HG3 LYS+ 66 - HB3 LEU 74 11.111% * 0.1181% (0.77 1.0 0.02 0.16) = 0.118% QG2 THR 96 - HB3 LEU 74 11.111% * 0.0224% (0.15 1.0 0.02 0.02) = 0.022% Peak 1710 (0.74, 1.17, 41.89 ppm): 16 chemical-shift based assignments, quality = 0.614, support = 4.13, residual support = 91.6: O HG LEU 74 - HB2 LEU 74 6.250% * 52.8448% (0.43 10.0 5.49 159.05) = 52.845% kept HG3 LYS+ 44 - HB2 LEU 43 6.250% * 21.7103% (0.95 1.0 3.75 27.85) = 21.710% kept QG1 VAL 40 - HB2 LEU 74 6.250% * 11.5993% (0.80 1.0 2.38 11.48) = 11.599% kept QG2 ILE 48 - HB2 LEU 43 6.250% * 6.3169% (0.58 1.0 1.80 1.60) = 6.317% kept HG3 LYS+ 66 - HB2 LEU 43 6.250% * 1.7987% (0.95 1.0 0.31 0.02) = 1.799% kept QD1 ILE 68 - HB2 LEU 74 6.250% * 1.5631% (0.82 1.0 0.31 1.08) = 1.563% kept QD1 ILE 68 - HB2 LEU 43 6.250% * 1.1395% (0.90 1.0 0.21 0.61) = 1.140% kept QG2 ILE 101 - HB2 LEU 43 6.250% * 1.0933% (0.38 1.0 0.47 0.02) = 1.093% kept QG2 ILE 101 - HB2 LEU 74 6.250% * 1.0538% (0.35 1.0 0.50 0.02) = 1.054% kept QG2 ILE 48 - HB2 LEU 74 6.250% * 0.2851% (0.53 1.0 0.09 0.02) = 0.285% QG2 VAL 65 - HB2 LEU 43 6.250% * 0.1140% (0.94 1.0 0.02 0.02) = 0.114% HG3 LYS+ 44 - HB2 LEU 74 6.250% * 0.1064% (0.88 1.0 0.02 0.61) = 0.106% HG3 LYS+ 66 - HB2 LEU 74 6.250% * 0.1064% (0.88 1.0 0.02 0.16) = 0.106% * QG1 VAL 40 - HB2 LEU 43 6.250% * 0.1059% (0.87 1.0 0.02 4.76) = 0.106% QG2 VAL 65 - HB2 LEU 74 6.250% * 0.1048% (0.86 1.0 0.02 0.02) = 0.105% HG LEU 74 - HB2 LEU 43 6.250% * 0.0575% (0.47 1.0 0.02 1.31) = 0.057% Reference assignment eliminated. Peak 1711 (0.70, 1.62, 41.87 ppm): 10 chemical-shift based assignments, quality = 0.746, support = 3.07, residual support = 71.5: * O T QG2 ILE 68 - HB ILE 68 10.000% * 77.1422% (0.68 10.0 10.00 3.87 92.71) = 77.142% kept T QG2 ILE 101 - HB ILE 68 10.000% * 21.2347% (0.99 1.0 10.00 0.38 0.10) = 21.235% kept QG2 ILE 48 - HB ILE 68 10.000% * 1.0992% (0.95 1.0 1.00 0.21 0.02) = 1.099% kept QG1 VAL 65 - HB ILE 68 10.000% * 0.1121% (0.99 1.0 1.00 0.02 1.17) = 0.112% QG2 THR 96 - HB ILE 68 10.000% * 0.1037% (0.92 1.0 1.00 0.02 0.02) = 0.104% QD1 ILE 19 - HB ILE 68 10.000% * 0.0858% (0.76 1.0 1.00 0.02 0.02) = 0.086% QG2 VAL 94 - HB ILE 68 10.000% * 0.0771% (0.68 1.0 1.00 0.02 0.02) = 0.077% HG12 ILE 19 - HB ILE 68 10.000% * 0.0726% (0.64 1.0 1.00 0.02 0.02) = 0.073% HG LEU 74 - HB ILE 68 10.000% * 0.0503% (0.44 1.0 1.00 0.02 1.08) = 0.050% QG1 VAL 62 - HB ILE 68 10.000% * 0.0222% (0.20 1.0 1.00 0.02 0.02) = 0.022% Peak 1712 (0.49, 2.10, 41.75 ppm): 2 chemical-shift based assignments, quality = 0.662, support = 4.84, residual support = 160.7: * O T QD2 LEU 43 - HB3 LEU 43 50.000% * 89.2394% (0.72 10.0 10.00 5.30 179.96) = 89.239% kept T QD2 LEU 74 - HB3 LEU 43 50.000% * 10.7606% (0.17 1.0 10.00 1.02 1.31) = 10.761% kept Peak 1713 (0.47, 1.17, 41.84 ppm): 4 chemical-shift based assignments, quality = 0.776, support = 4.56, residual support = 139.6: * O T QD2 LEU 43 - HB2 LEU 43 25.000% * 51.8204% (0.97 10.0 10.00 5.30 179.96) = 51.820% kept O T QD2 LEU 74 - HB2 LEU 74 25.000% * 28.9956% (0.55 10.0 10.00 5.52 159.05) = 28.996% kept T QD2 LEU 74 - HB2 LEU 43 25.000% * 18.7154% (0.60 1.0 10.00 1.17 1.31) = 18.715% kept T QD2 LEU 43 - HB2 LEU 74 25.000% * 0.4686% (0.88 1.0 10.00 0.02 1.31) = 0.469% Peak 1714 (-0.08, 1.17, 41.84 ppm): 2 chemical-shift based assignments, quality = 0.338, support = 5.61, residual support = 178.4: * O T QD1 LEU 43 - HB2 LEU 43 50.000% * 99.1530% (0.34 10.0 10.00 5.66 179.96) = 99.153% kept T QD1 LEU 43 - HB2 LEU 74 50.000% * 0.8470% (0.29 1.0 10.00 0.02 1.31) = 0.847% Peak 1715 (9.32, 1.92, 41.22 ppm): 2 chemical-shift based assignments, quality = 0.349, support = 5.16, residual support = 59.5: * O HN ILE 29 - HB ILE 29 50.000% * 96.0872% (0.36 10.0 5.25 61.33) = 96.087% kept HN ILE 29 - HB2 LEU 23 50.000% * 3.9128% (0.10 1.0 2.95 14.54) = 3.913% kept Peak 1717 (2.54, 2.54, 41.71 ppm): 1 diagonal assignment: * HB2 ASP- 115 - HB2 ASP- 115 (0.95) kept Peak 1722 (1.92, 1.73, 41.57 ppm): 13 chemical-shift based assignments, quality = 0.853, support = 3.39, residual support = 85.7: * O T HB2 LEU 23 - HB3 LEU 23 7.692% * 67.5063% (0.86 10.0 10.00 4.60 120.22) = 67.506% kept T HB ILE 29 - HB3 LEU 23 7.692% * 31.0889% (0.86 1.0 10.00 0.91 14.54) = 31.089% kept HB2 PRO 112 - HB3 LEU 23 7.692% * 1.0741% (0.58 1.0 1.00 0.47 0.02) = 1.074% kept HD3 LYS+ 63 - HB3 LEU 23 7.692% * 0.0551% (0.70 1.0 1.00 0.02 0.02) = 0.055% HB2 GLU- 10 - HB3 LEU 23 7.692% * 0.0526% (0.67 1.0 1.00 0.02 0.02) = 0.053% HB2 PRO 116 - HB3 LEU 23 7.692% * 0.0526% (0.67 1.0 1.00 0.02 0.02) = 0.053% HB3 GLN 102 - HB3 LEU 23 7.692% * 0.0418% (0.53 1.0 1.00 0.02 0.99) = 0.042% HB2 GLU- 75 - HB3 LEU 23 7.692% * 0.0309% (0.39 1.0 1.00 0.02 0.02) = 0.031% HB3 ARG+ 53 - HB3 LEU 23 7.692% * 0.0235% (0.30 1.0 1.00 0.02 0.20) = 0.023% HG2 PRO 112 - HB3 LEU 23 7.692% * 0.0224% (0.28 1.0 1.00 0.02 0.02) = 0.022% HB3 LYS+ 55 - HB3 LEU 23 7.692% * 0.0191% (0.24 1.0 1.00 0.02 0.02) = 0.019% HG3 PRO 31 - HB3 LEU 23 7.692% * 0.0172% (0.22 1.0 1.00 0.02 0.02) = 0.017% HB3 CYS 123 - HB3 LEU 23 7.692% * 0.0153% (0.19 1.0 1.00 0.02 0.02) = 0.015% Peak 1723 (1.73, 1.93, 41.56 ppm): 12 chemical-shift based assignments, quality = 0.498, support = 4.31, residual support = 111.6: * O T HB3 LEU 23 - HB2 LEU 23 8.333% * 92.5900% (0.50 10.0 10.00 4.60 120.22) = 92.590% kept HB2 GLN 16 - HB2 LEU 23 8.333% * 4.4491% (0.73 1.0 1.00 0.66 0.02) = 4.449% kept HB2 LEU 17 - HB ILE 29 8.333% * 1.4532% (0.09 1.0 1.00 1.72 17.13) = 1.453% kept HB2 GLN 16 - HB ILE 29 8.333% * 0.7831% (0.28 1.0 1.00 0.30 0.02) = 0.783% T HB3 LEU 23 - HB ILE 29 8.333% * 0.3569% (0.19 1.0 10.00 0.02 14.54) = 0.357% HB ILE 48 - HB2 LEU 23 8.333% * 0.1209% (0.65 1.0 1.00 0.02 0.33) = 0.121% HB2 LYS+ 117 - HB2 LEU 23 8.333% * 0.0857% (0.46 1.0 1.00 0.02 0.02) = 0.086% HB ILE 48 - HB ILE 29 8.333% * 0.0466% (0.25 1.0 1.00 0.02 1.84) = 0.047% HB2 LEU 17 - HB2 LEU 23 8.333% * 0.0439% (0.24 1.0 1.00 0.02 0.13) = 0.044% HB2 LYS+ 117 - HB ILE 29 8.333% * 0.0330% (0.18 1.0 1.00 0.02 0.02) = 0.033% HD3 PRO 59 - HB2 LEU 23 8.333% * 0.0272% (0.15 1.0 1.00 0.02 0.02) = 0.027% HD3 PRO 59 - HB ILE 29 8.333% * 0.0105% (0.06 1.0 1.00 0.02 0.02) = 0.010% Peak 1724 (1.74, 1.73, 41.57 ppm): 1 diagonal assignment: * HB3 LEU 23 - HB3 LEU 23 (0.83) kept Peak 1725 (7.54, 2.64, 41.23 ppm): 6 chemical-shift based assignments, quality = 0.531, support = 4.67, residual support = 34.1: * O HN ASP- 82 - HB3 ASP- 82 16.667% * 99.8421% (0.53 10.0 4.67 34.19) = 99.842% kept HN VAL 65 - HB3 ASP- 82 16.667% * 0.0544% (0.29 1.0 0.02 0.02) = 0.054% HD22 ASN 119 - HB3 ASP- 82 16.667% * 0.0544% (0.29 1.0 0.02 0.02) = 0.054% HN ASP- 82 - HB3 ASP- 36 16.667% * 0.0234% (0.12 1.0 0.02 0.02) = 0.023% HN VAL 65 - HB3 ASP- 36 16.667% * 0.0128% (0.07 1.0 0.02 0.02) = 0.013% HD22 ASN 119 - HB3 ASP- 36 16.667% * 0.0128% (0.07 1.0 0.02 0.02) = 0.013% Peak 1726 (7.55, 2.17, 41.26 ppm): 3 chemical-shift based assignments, quality = 0.245, support = 3.91, residual support = 33.8: * O HN ASP- 82 - HB2 ASP- 82 33.333% * 98.8938% (0.25 10.0 3.96 34.19) = 98.894% kept HN VAL 65 - HB2 ASP- 82 33.333% * 0.8905% (0.54 1.0 0.08 0.02) = 0.890% HD22 ASN 119 - HB2 ASP- 82 33.333% * 0.2157% (0.54 1.0 0.02 0.02) = 0.216% Peak 1727 (4.22, 2.65, 41.19 ppm): 28 chemical-shift based assignments, quality = 0.48, support = 2.92, residual support = 30.7: * O T HA ASP- 82 - HB3 ASP- 82 3.571% * 89.8577% (0.48 10.0 10.00 3.23 34.19) = 89.858% kept HA GLU- 54 - HB3 ASP- 82 3.571% * 3.2136% (0.63 1.0 1.00 0.54 0.62) = 3.214% kept T HA GLU- 12 - HB3 ASP- 82 3.571% * 1.7041% (0.91 1.0 10.00 0.02 0.10) = 1.704% kept T HA GLU- 10 - HB3 ASP- 82 3.571% * 1.1942% (0.63 1.0 10.00 0.02 0.02) = 1.194% kept T HA LYS+ 108 - HB3 ASP- 82 3.571% * 1.1942% (0.63 1.0 10.00 0.02 0.02) = 1.194% kept T HA GLU- 12 - HB3 ASP- 36 3.571% * 0.5929% (0.32 1.0 10.00 0.02 0.02) = 0.593% T HA GLU- 10 - HB3 ASP- 36 3.571% * 0.4155% (0.22 1.0 10.00 0.02 0.02) = 0.416% T HA LYS+ 108 - HB3 ASP- 36 3.571% * 0.4155% (0.22 1.0 10.00 0.02 0.02) = 0.416% T HA ASP- 82 - HB3 ASP- 36 3.571% * 0.3126% (0.17 1.0 10.00 0.02 0.02) = 0.313% HA GLU- 109 - HB3 ASP- 82 3.571% * 0.1830% (0.97 1.0 1.00 0.02 0.02) = 0.183% HA SER 49 - HB3 ASP- 82 3.571% * 0.1656% (0.88 1.0 1.00 0.02 0.02) = 0.166% HA ALA 42 - HB3 ASP- 82 3.571% * 0.1542% (0.82 1.0 1.00 0.02 0.02) = 0.154% HB3 SER 49 - HB3 ASP- 82 3.571% * 0.0979% (0.52 1.0 1.00 0.02 0.02) = 0.098% HA PRO 59 - HB3 ASP- 82 3.571% * 0.0693% (0.37 1.0 1.00 0.02 0.02) = 0.069% HA GLU- 109 - HB3 ASP- 36 3.571% * 0.0637% (0.34 1.0 1.00 0.02 0.02) = 0.064% HA SER 49 - HB3 ASP- 36 3.571% * 0.0576% (0.31 1.0 1.00 0.02 0.02) = 0.058% HA ALA 42 - HB3 ASP- 36 3.571% * 0.0536% (0.29 1.0 1.00 0.02 0.02) = 0.054% HA GLU- 54 - HB3 ASP- 36 3.571% * 0.0416% (0.22 1.0 1.00 0.02 0.02) = 0.042% HA ALA 11 - HB3 ASP- 82 3.571% * 0.0365% (0.19 1.0 1.00 0.02 0.02) = 0.037% HB3 SER 49 - HB3 ASP- 36 3.571% * 0.0341% (0.18 1.0 1.00 0.02 0.02) = 0.034% HA ASN 76 - HB3 ASP- 82 3.571% * 0.0285% (0.15 1.0 1.00 0.02 0.02) = 0.028% HA ASN 119 - HB3 ASP- 82 3.571% * 0.0250% (0.13 1.0 1.00 0.02 0.02) = 0.025% HA GLU- 107 - HB3 ASP- 82 3.571% * 0.0250% (0.13 1.0 1.00 0.02 0.02) = 0.025% HA PRO 59 - HB3 ASP- 36 3.571% * 0.0241% (0.13 1.0 1.00 0.02 0.02) = 0.024% HA ALA 11 - HB3 ASP- 36 3.571% * 0.0127% (0.07 1.0 1.00 0.02 0.02) = 0.013% HA ASN 76 - HB3 ASP- 36 3.571% * 0.0099% (0.05 1.0 1.00 0.02 0.02) = 0.010% HA ASN 119 - HB3 ASP- 36 3.571% * 0.0087% (0.05 1.0 1.00 0.02 0.02) = 0.009% HA GLU- 107 - HB3 ASP- 36 3.571% * 0.0087% (0.05 1.0 1.00 0.02 0.02) = 0.009% Peak 1728 (4.21, 2.17, 41.22 ppm): 11 chemical-shift based assignments, quality = 0.862, support = 2.87, residual support = 34.1: * O HA ASP- 82 - HB2 ASP- 82 9.091% * 99.6524% (0.86 10.0 2.88 34.19) = 99.652% kept HA GLU- 12 - HB2 ASP- 82 9.091% * 0.0849% (0.74 1.0 0.02 0.10) = 0.085% HB3 SER 49 - HB2 ASP- 82 9.091% * 0.0676% (0.59 1.0 0.02 0.02) = 0.068% HA GLU- 109 - HB2 ASP- 82 9.091% * 0.0535% (0.46 1.0 0.02 0.02) = 0.053% HA SER 49 - HB2 ASP- 82 9.091% * 0.0347% (0.30 1.0 0.02 0.02) = 0.035% HA ALA 42 - HB2 ASP- 82 9.091% * 0.0283% (0.25 1.0 0.02 0.02) = 0.028% HA VAL 65 - HB2 ASP- 82 9.091% * 0.0178% (0.15 1.0 0.02 0.02) = 0.018% HA LYS+ 108 - HB2 ASP- 82 9.091% * 0.0157% (0.14 1.0 0.02 0.02) = 0.016% HA GLU- 10 - HB2 ASP- 82 9.091% * 0.0157% (0.14 1.0 0.02 0.02) = 0.016% HA GLU- 54 - HB2 ASP- 82 9.091% * 0.0157% (0.14 1.0 0.02 0.62) = 0.016% HA VAL 73 - HB2 ASP- 82 9.091% * 0.0138% (0.12 1.0 0.02 0.02) = 0.014% Peak 1730 (2.97, 1.92, 41.19 ppm): 8 chemical-shift based assignments, quality = 0.832, support = 4.08, residual support = 24.7: * T HB2 PHE 21 - HB ILE 29 12.500% * 88.0588% (0.90 10.00 4.54 27.92) = 88.059% kept T HB2 PHE 21 - HB2 LEU 23 12.500% * 8.7757% (0.21 10.00 0.85 1.89) = 8.776% kept HE3 LYS+ 113 - HB ILE 29 12.500% * 1.8919% (0.75 1.00 0.51 0.02) = 1.892% kept HE2 LYS+ 117 - HB ILE 29 12.500% * 1.1822% (0.72 1.00 0.33 0.02) = 1.182% kept HE3 LYS+ 55 - HB ILE 29 12.500% * 0.0464% (0.47 1.00 0.02 0.02) = 0.046% HE3 LYS+ 113 - HB2 LEU 23 12.500% * 0.0173% (0.18 1.00 0.02 0.80) = 0.017% HE2 LYS+ 117 - HB2 LEU 23 12.500% * 0.0166% (0.17 1.00 0.02 0.02) = 0.017% HE3 LYS+ 55 - HB2 LEU 23 12.500% * 0.0109% (0.11 1.00 0.02 0.02) = 0.011% Peak 1732 (2.65, 2.17, 41.24 ppm): 5 chemical-shift based assignments, quality = 0.897, support = 3.1, residual support = 34.1: * O HB3 ASP- 82 - HB2 ASP- 82 20.000% * 99.8209% (0.90 10.0 3.11 34.19) = 99.821% kept HB3 ASP- 36 - HB2 ASP- 82 20.000% * 0.0965% (0.87 1.0 0.02 0.02) = 0.097% HE2 LYS+ 120 - HB2 ASP- 82 20.000% * 0.0449% (0.40 1.0 0.02 0.02) = 0.045% HB2 ASP- 25 - HB2 ASP- 82 20.000% * 0.0223% (0.20 1.0 0.02 0.02) = 0.022% HE3 LYS+ 20 - HB2 ASP- 82 20.000% * 0.0154% (0.14 1.0 0.02 0.02) = 0.015% Peak 1733 (2.17, 2.65, 41.23 ppm): 20 chemical-shift based assignments, quality = 0.913, support = 3.03, residual support = 33.0: * O T HB2 ASP- 82 - HB3 ASP- 82 5.000% * 96.5336% (0.94 10.0 10.00 3.11 34.19) = 96.534% kept HG2 PRO 112 - HB3 ASP- 36 5.000% * 1.7490% (0.24 1.0 1.00 1.43 1.46) = 1.749% kept HG2 PRO 112 - HB3 ASP- 82 5.000% * 0.5948% (0.96 1.0 1.00 0.12 0.02) = 0.595% HG2 GLN 102 - HB3 ASP- 82 5.000% * 0.3742% (0.96 1.0 1.00 0.08 0.02) = 0.374% T HB2 ASP- 82 - HB3 ASP- 36 5.000% * 0.2391% (0.23 1.0 10.00 0.02 0.02) = 0.239% HG2 PRO 104 - HB3 ASP- 82 5.000% * 0.0885% (0.86 1.0 1.00 0.02 0.02) = 0.089% HB3 PRO 104 - HB3 ASP- 82 5.000% * 0.0817% (0.80 1.0 1.00 0.02 0.02) = 0.082% HB VAL 99 - HB3 ASP- 82 5.000% * 0.0780% (0.76 1.0 1.00 0.02 0.02) = 0.078% HB VAL 47 - HB3 ASP- 82 5.000% * 0.0420% (0.41 1.0 1.00 0.02 1.19) = 0.042% HB3 GLU- 75 - HB3 ASP- 82 5.000% * 0.0416% (0.41 1.0 1.00 0.02 0.02) = 0.042% HB3 LYS+ 78 - HB3 ASP- 82 5.000% * 0.0284% (0.28 1.0 1.00 0.02 0.92) = 0.028% HG2 MET 126 - HB3 ASP- 82 5.000% * 0.0284% (0.28 1.0 1.00 0.02 0.02) = 0.028% HG2 GLN 102 - HB3 ASP- 36 5.000% * 0.0244% (0.24 1.0 1.00 0.02 0.02) = 0.024% HG2 PRO 104 - HB3 ASP- 36 5.000% * 0.0219% (0.21 1.0 1.00 0.02 0.02) = 0.022% HB3 PRO 104 - HB3 ASP- 36 5.000% * 0.0202% (0.20 1.0 1.00 0.02 0.02) = 0.020% HB VAL 99 - HB3 ASP- 36 5.000% * 0.0193% (0.19 1.0 1.00 0.02 0.02) = 0.019% HB VAL 47 - HB3 ASP- 36 5.000% * 0.0104% (0.10 1.0 1.00 0.02 0.02) = 0.010% HB3 GLU- 75 - HB3 ASP- 36 5.000% * 0.0103% (0.10 1.0 1.00 0.02 0.02) = 0.010% HB3 LYS+ 78 - HB3 ASP- 36 5.000% * 0.0070% (0.07 1.0 1.00 0.02 0.02) = 0.007% HG2 MET 126 - HB3 ASP- 36 5.000% * 0.0070% (0.07 1.0 1.00 0.02 0.02) = 0.007% Peak 1734 (2.17, 2.17, 41.26 ppm): 1 diagonal assignment: * HB2 ASP- 82 - HB2 ASP- 82 (0.74) kept Peak 1735 (1.92, 1.92, 41.31 ppm): 2 diagonal assignments: * HB ILE 29 - HB ILE 29 (0.98) kept HB2 LEU 23 - HB2 LEU 23 (0.47) kept Peak 1736 (0.95, 1.92, 41.22 ppm): 20 chemical-shift based assignments, quality = 0.913, support = 4.68, residual support = 59.4: * O QG2 ILE 29 - HB ILE 29 5.000% * 95.7753% (0.93 10.0 4.83 61.33) = 95.775% kept QD1 LEU 17 - HB ILE 29 5.000% * 3.6343% (0.50 1.0 1.41 17.13) = 3.634% kept QG2 VAL 73 - HB ILE 29 5.000% * 0.0943% (0.92 1.0 0.02 0.02) = 0.094% QG2 VAL 62 - HB ILE 29 5.000% * 0.0876% (0.85 1.0 0.02 0.02) = 0.088% QG2 VAL 99 - HB ILE 29 5.000% * 0.0876% (0.85 1.0 0.02 0.02) = 0.088% QG1 VAL 105 - HB ILE 29 5.000% * 0.0553% (0.54 1.0 0.02 0.38) = 0.055% QG2 VAL 105 - HB ILE 29 5.000% * 0.0476% (0.46 1.0 0.02 0.38) = 0.048% QG2 ILE 29 - HB2 LEU 23 5.000% * 0.0268% (0.26 1.0 0.02 14.54) = 0.027% QG2 VAL 73 - HB2 LEU 23 5.000% * 0.0264% (0.26 1.0 0.02 0.02) = 0.026% QG2 VAL 62 - HB2 LEU 23 5.000% * 0.0245% (0.24 1.0 0.02 0.02) = 0.024% QG2 VAL 99 - HB2 LEU 23 5.000% * 0.0245% (0.24 1.0 0.02 13.87) = 0.024% HG12 ILE 68 - HB ILE 29 5.000% * 0.0244% (0.24 1.0 0.02 0.02) = 0.024% HG3 LYS+ 110 - HB ILE 29 5.000% * 0.0193% (0.19 1.0 0.02 0.02) = 0.019% QG1 VAL 105 - HB2 LEU 23 5.000% * 0.0155% (0.15 1.0 0.02 0.12) = 0.015% QD1 LEU 17 - HB2 LEU 23 5.000% * 0.0144% (0.14 1.0 0.02 0.13) = 0.014% QG2 VAL 105 - HB2 LEU 23 5.000% * 0.0133% (0.13 1.0 0.02 0.12) = 0.013% QG2 VAL 80 - HB ILE 29 5.000% * 0.0132% (0.13 1.0 0.02 0.02) = 0.013% HG12 ILE 68 - HB2 LEU 23 5.000% * 0.0068% (0.07 1.0 0.02 0.02) = 0.007% HG3 LYS+ 110 - HB2 LEU 23 5.000% * 0.0054% (0.05 1.0 0.02 0.02) = 0.005% QG2 VAL 80 - HB2 LEU 23 5.000% * 0.0037% (0.04 1.0 0.02 0.02) = 0.004% Peak 1738 (2.97, 2.66, 40.91 ppm): 8 chemical-shift based assignments, quality = 0.438, support = 0.0617, residual support = 0.0298: HB2 PHE 21 - HB3 ASP- 82 12.500% * 32.3031% (0.25 0.12 0.02) = 32.303% kept HB2 PHE 21 - HB3 ASP- 36 12.500% * 18.6616% (0.88 0.02 0.02) = 18.662% kept HE3 LYS+ 113 - HB3 ASP- 36 12.500% * 13.0778% (0.62 0.02 0.02) = 13.078% kept HE2 LYS+ 117 - HB3 ASP- 36 12.500% * 12.2616% (0.58 0.02 0.02) = 12.262% kept HE3 LYS+ 55 - HB3 ASP- 82 12.500% * 9.7460% (0.09 0.10 0.12) = 9.746% kept HE3 LYS+ 55 - HB3 ASP- 36 12.500% * 6.8958% (0.33 0.02 0.02) = 6.896% kept HE3 LYS+ 113 - HB3 ASP- 82 12.500% * 3.6407% (0.17 0.02 0.02) = 3.641% kept HE2 LYS+ 117 - HB3 ASP- 82 12.500% * 3.4134% (0.16 0.02 0.02) = 3.413% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 1739 (1.85, 1.67, 40.74 ppm): 12 chemical-shift based assignments, quality = 0.759, support = 0.411, residual support = 0.6: T HB3 LYS+ 60 - HB ILE 100 8.333% * 71.5568% (0.80 10.00 0.49 0.02) = 71.557% kept T HB2 LYS+ 66 - HB ILE 100 8.333% * 14.1391% (0.72 10.00 0.11 4.12) = 14.139% kept HD2 PRO 59 - HB ILE 100 8.333% * 5.3007% (0.62 1.00 0.47 0.02) = 5.301% kept HB2 PRO 59 - HB ILE 100 8.333% * 3.8738% (0.46 1.00 0.46 0.02) = 3.874% kept T HB3 LYS+ 72 - HB ILE 100 8.333% * 2.8911% (0.79 10.00 0.02 0.02) = 2.891% kept HB VAL 94 - HB ILE 100 8.333% * 1.6502% (0.65 1.00 0.14 0.02) = 1.650% kept HB2 PRO 104 - HB ILE 100 8.333% * 0.2847% (0.78 1.00 0.02 0.02) = 0.285% HB3 ARG+ 84 - HB ILE 100 8.333% * 0.0820% (0.22 1.00 0.02 0.02) = 0.082% HD3 PRO 52 - HB ILE 100 8.333% * 0.0735% (0.20 1.00 0.02 0.02) = 0.074% HD3 LYS+ 117 - HB ILE 100 8.333% * 0.0517% (0.14 1.00 0.02 0.02) = 0.052% HG2 PRO 112 - HB ILE 100 8.333% * 0.0509% (0.14 1.00 0.02 0.02) = 0.051% HG3 LYS+ 108 - HB ILE 100 8.333% * 0.0455% (0.12 1.00 0.02 0.02) = 0.046% Peak 1742 (9.26, 1.67, 40.65 ppm): 1 chemical-shift based assignment, quality = 0.764, support = 4.21, residual support = 68.3: * O HN ILE 100 - HB ILE 100 100.000% *100.0000% (0.76 10.0 4.21 68.30) = 100.000% kept Peak 1746 (1.67, 1.67, 40.70 ppm): 1 diagonal assignment: * HB ILE 100 - HB ILE 100 (0.89) kept Peak 1747 (1.40, 1.67, 40.67 ppm): 15 chemical-shift based assignments, quality = 0.937, support = 4.07, residual support = 66.3: * O HG13 ILE 100 - HB ILE 100 6.667% * 96.8153% (0.94 10.0 4.19 68.30) = 96.815% kept HG LEU 67 - HB ILE 100 6.667% * 2.4597% (0.94 1.0 0.51 8.65) = 2.460% kept HG13 ILE 68 - HB ILE 100 6.667% * 0.2127% (0.39 1.0 0.11 0.93) = 0.213% QB ALA 93 - HB ILE 100 6.667% * 0.0968% (0.94 1.0 0.02 0.02) = 0.097% QB ALA 37 - HB ILE 100 6.667% * 0.0894% (0.87 1.0 0.02 0.02) = 0.089% HD3 LYS+ 20 - HB ILE 100 6.667% * 0.0809% (0.79 1.0 0.02 0.02) = 0.081% HD3 LYS+ 44 - HB ILE 100 6.667% * 0.0509% (0.50 1.0 0.02 0.02) = 0.051% QB ALA 91 - HB ILE 100 6.667% * 0.0398% (0.39 1.0 0.02 0.02) = 0.040% QG2 THR 38 - HB ILE 100 6.667% * 0.0330% (0.32 1.0 0.02 0.02) = 0.033% QG2 THR 39 - HB ILE 100 6.667% * 0.0241% (0.24 1.0 0.02 0.02) = 0.024% HD3 LYS+ 113 - HB ILE 100 6.667% * 0.0241% (0.24 1.0 0.02 0.02) = 0.024% HG3 LYS+ 55 - HB ILE 100 6.667% * 0.0216% (0.21 1.0 0.02 0.02) = 0.022% HG3 ARG+ 22 - HB ILE 100 6.667% * 0.0216% (0.21 1.0 0.02 0.02) = 0.022% HG3 LYS+ 113 - HB ILE 100 6.667% * 0.0170% (0.17 1.0 0.02 0.02) = 0.017% HG2 LYS+ 78 - HB ILE 100 6.667% * 0.0131% (0.13 1.0 0.02 0.02) = 0.013% Peak 1748 (1.22, 1.66, 40.74 ppm): 3 chemical-shift based assignments, quality = 0.808, support = 3.07, residual support = 51.8: * O HG12 ILE 100 - HB ILE 100 33.333% * 75.3978% (0.83 10.0 1.00 3.84 68.30) = 75.398% kept T HB3 ARG+ 22 - HB ILE 100 33.333% * 20.7625% (0.75 1.0 10.00 0.61 0.02) = 20.763% kept HB2 LEU 67 - HB ILE 100 33.333% * 3.8397% (0.64 1.0 1.00 1.33 8.65) = 3.840% kept Peak 1749 (0.86, 1.67, 40.67 ppm): 7 chemical-shift based assignments, quality = 0.818, support = 4.53, residual support = 67.1: * O T QG2 ILE 100 - HB ILE 100 14.286% * 98.1942% (0.82 10.0 10.00 4.61 68.30) = 98.194% kept QG2 VAL 13 - HB ILE 100 14.286% * 1.5759% (0.65 1.0 1.00 0.41 0.14) = 1.576% kept QD1 LEU 90 - HB ILE 100 14.286% * 0.1015% (0.85 1.0 1.00 0.02 0.02) = 0.102% HG2 LYS+ 117 - HB ILE 100 14.286% * 0.0465% (0.39 1.0 1.00 0.02 0.02) = 0.047% QG2 VAL 125 - HB ILE 100 14.286% * 0.0315% (0.26 1.0 1.00 0.02 0.02) = 0.031% QD1 ILE 29 - HB ILE 100 14.286% * 0.0252% (0.21 1.0 1.00 0.02 0.02) = 0.025% QG1 VAL 13 - HB ILE 100 14.286% * 0.0252% (0.21 1.0 1.00 0.02 0.14) = 0.025% Peak 1750 (4.60, 3.10, 40.11 ppm): 3 chemical-shift based assignments, quality = 0.751, support = 2.31, residual support = 23.9: * O HA ASP- 25 - HB3 ASP- 25 33.333% * 99.9154% (0.75 10.0 2.31 23.93) = 99.915% kept HA LYS+ 72 - HB3 ASP- 25 33.333% * 0.0648% (0.49 1.0 0.02 0.02) = 0.065% HA LYS+ 78 - HB3 ASP- 25 33.333% * 0.0198% (0.15 1.0 0.02 0.02) = 0.020% Peak 1751 (4.60, 2.62, 40.12 ppm): 3 chemical-shift based assignments, quality = 0.802, support = 2.31, residual support = 23.9: * O HA ASP- 25 - HB2 ASP- 25 33.333% * 99.9278% (0.80 10.0 2.31 23.93) = 99.928% kept HA LYS+ 72 - HB2 ASP- 25 33.333% * 0.0567% (0.46 1.0 0.02 0.02) = 0.057% HA LYS+ 78 - HB2 ASP- 25 33.333% * 0.0155% (0.12 1.0 0.02 0.02) = 0.015% Peak 1753 (2.63, 3.10, 40.14 ppm): 6 chemical-shift based assignments, quality = 0.755, support = 1.98, residual support = 23.6: * O T HB2 ASP- 25 - HB3 ASP- 25 16.667% * 98.4969% (0.76 10.0 10.00 2.00 23.93) = 98.497% kept HB3 ASP- 82 - HB3 ASP- 25 16.667% * 1.3164% (0.35 1.0 1.00 0.58 0.02) = 1.316% kept HE3 LYS+ 20 - HB3 ASP- 25 16.667% * 0.0879% (0.68 1.0 1.00 0.02 0.02) = 0.088% HB2 PHE 34 - HB3 ASP- 25 16.667% * 0.0375% (0.29 1.0 1.00 0.02 0.02) = 0.037% HB3 ASP- 36 - HB3 ASP- 25 16.667% * 0.0339% (0.26 1.0 1.00 0.02 0.02) = 0.034% HG2 MET 118 - HB3 ASP- 25 16.667% * 0.0274% (0.21 1.0 1.00 0.02 0.02) = 0.027% Peak 1754 (3.11, 3.11, 39.97 ppm): 1 diagonal assignment: * HB3 ASP- 25 - HB3 ASP- 25 (0.33) kept Peak 1755 (3.11, 2.62, 40.08 ppm): 5 chemical-shift based assignments, quality = 0.686, support = 2.0, residual support = 23.9: * O T HB3 ASP- 25 - HB2 ASP- 25 20.000% * 99.8230% (0.69 10.0 10.00 2.00 23.93) = 99.823% kept HA VAL 47 - HB2 ASP- 25 20.000% * 0.0490% (0.34 1.0 1.00 0.02 0.02) = 0.049% HE3 LYS+ 72 - HB2 ASP- 25 20.000% * 0.0452% (0.31 1.0 1.00 0.02 0.02) = 0.045% HE3 LYS+ 117 - HB2 ASP- 25 20.000% * 0.0414% (0.28 1.0 1.00 0.02 0.02) = 0.041% HE3 LYS+ 108 - HB2 ASP- 25 20.000% * 0.0414% (0.28 1.0 1.00 0.02 0.02) = 0.041% Peak 1756 (2.99, 2.98, 39.88 ppm): 1 diagonal assignment: * HB2 PHE 21 - HB2 PHE 21 (0.29) kept Peak 1757 (2.76, 2.98, 39.80 ppm): 1 chemical-shift based assignment, quality = 0.257, support = 0.103, residual support = 0.103: HB2 ASN 119 - HB2 PHE 21 100.000% *100.0000% (0.26 0.10 0.10) = 100.000% kept Reference assignment not found: HB3 PHE 21 - HB2 PHE 21 Not enough support, support cutoff is 0.27 Peak unassigned. Peak 1758 (0.95, 2.97, 39.90 ppm): 10 chemical-shift based assignments, quality = 0.298, support = 1.99, residual support = 17.1: QG2 ILE 29 - HB2 PHE 21 10.000% * 59.0575% (0.33 2.92 27.92) = 59.058% kept QG1 VAL 105 - HB2 PHE 21 10.000% * 12.4615% (0.21 0.95 0.27) = 12.461% kept * QG2 VAL 99 - HB2 PHE 21 10.000% * 10.5332% (0.28 0.62 5.39) = 10.533% kept QG2 VAL 62 - HB2 PHE 21 10.000% * 10.3709% (0.31 0.54 0.26) = 10.371% kept QG2 VAL 105 - HB2 PHE 21 10.000% * 4.9677% (0.19 0.43 0.27) = 4.968% kept QG2 VAL 73 - HB2 PHE 21 10.000% * 1.6887% (0.33 0.08 0.02) = 1.689% kept HG12 ILE 68 - HB2 PHE 21 10.000% * 0.5021% (0.10 0.08 0.02) = 0.502% QD1 LEU 17 - HB2 PHE 21 10.000% * 0.2462% (0.20 0.02 0.02) = 0.246% HG3 LYS+ 110 - HB2 PHE 21 10.000% * 0.1012% (0.08 0.02 0.02) = 0.101% QG2 VAL 80 - HB2 PHE 21 10.000% * 0.0711% (0.06 0.02 0.02) = 0.071% Peak 1759 (0.95, 2.74, 39.91 ppm): 9 chemical-shift based assignments, quality = 0.214, support = 1.88, residual support = 15.7: QG2 ILE 29 - HB3 PHE 21 11.111% * 52.7975% (0.24 2.83 27.92) = 52.798% kept * QG2 VAL 99 - HB3 PHE 21 11.111% * 16.0845% (0.24 0.86 5.39) = 16.085% kept QG2 VAL 62 - HB3 PHE 21 11.111% * 15.3309% (0.21 0.93 0.26) = 15.331% kept QG2 VAL 105 - HB3 PHE 21 11.111% * 7.0145% (0.10 0.87 0.27) = 7.015% kept QG1 VAL 105 - HB3 PHE 21 11.111% * 6.1081% (0.12 0.64 0.27) = 6.108% kept QG2 VAL 73 - HB3 PHE 21 11.111% * 1.5282% (0.23 0.08 0.02) = 1.528% kept HG12 ILE 68 - HB3 PHE 21 11.111% * 0.8985% (0.05 0.23 0.02) = 0.898% QD1 LEU 17 - HB3 PHE 21 11.111% * 0.1768% (0.11 0.02 0.02) = 0.177% HG3 LYS+ 110 - HB3 PHE 21 11.111% * 0.0609% (0.04 0.02 0.02) = 0.061% Peak 1760 (2.99, 2.74, 39.84 ppm): 4 chemical-shift based assignments, quality = 0.261, support = 2.27, residual support = 25.2: * O HB2 PHE 21 - HB3 PHE 21 25.000% * 99.5809% (0.26 10.0 2.28 25.27) = 99.581% kept HE3 LYS+ 55 - HB3 PHE 21 25.000% * 0.1421% (0.37 1.0 0.02 0.02) = 0.142% HE2 LYS+ 117 - HB3 PHE 21 25.000% * 0.1399% (0.37 1.0 0.02 0.02) = 0.140% HE3 LYS+ 113 - HB3 PHE 21 25.000% * 0.1371% (0.36 1.0 0.02 0.02) = 0.137% Peak 1762 (3.15, 3.15, 39.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1763 (3.15, 2.89, 39.20 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1764 (2.91, 3.15, 39.27 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1765 (8.23, 4.37, 39.27 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1766 (8.24, 1.74, 38.80 ppm): 9 chemical-shift based assignments, quality = 0.73, support = 3.68, residual support = 15.3: * HN SER 49 - HB ILE 48 11.111% * 51.9323% (0.68 5.90 28.98) = 51.932% kept HN LEU 67 - HB ILE 48 11.111% * 16.2634% (0.91 1.37 0.17) = 16.263% kept HN ASP- 115 - HB ILE 48 11.111% * 15.5930% (0.75 1.59 0.62) = 15.593% kept HN GLY 58 - HB ILE 48 11.111% * 12.2581% (0.82 1.15 1.16) = 12.258% kept HN THR 106 - HB ILE 48 11.111% * 1.3833% (0.82 0.13 0.02) = 1.383% kept HN LYS+ 81 - HB ILE 48 11.111% * 0.9349% (0.91 0.08 0.25) = 0.935% HN VAL 94 - HB ILE 48 11.111% * 0.9186% (0.20 0.36 0.02) = 0.919% HN VAL 105 - HB ILE 48 11.111% * 0.4652% (0.17 0.21 0.02) = 0.465% HN GLU- 12 - HB ILE 48 11.111% * 0.2512% (0.97 0.02 0.02) = 0.251% Peak 1767 (8.20, 2.80, 38.93 ppm): 18 chemical-shift based assignments, quality = 0.344, support = 0.677, residual support = 0.78: HN ALA 33 - HB2 ASN 119 5.556% * 38.7061% (0.63 0.43 0.02) = 38.706% kept HN GLN 16 - HB2 ASN 119 5.556% * 30.8378% (0.17 1.30 1.76) = 30.838% kept HN GLN 16 - HB3 ASN 119 5.556% * 12.8903% (0.12 0.74 1.76) = 12.890% kept HN GLU- 45 - HB3 ASN 89 5.556% * 6.3663% (0.21 0.21 0.02) = 6.366% kept HN GLU- 45 - HB2 ASN 119 5.556% * 1.3835% (0.48 0.02 0.02) = 1.384% kept HN ALA 33 - HB3 ASN 119 5.556% * 1.3153% (0.46 0.02 0.02) = 1.315% kept HN ALA 11 - HB2 ASN 119 5.556% * 1.2325% (0.43 0.02 0.02) = 1.233% kept HN GLU- 45 - HB3 ASN 119 5.556% * 1.0097% (0.35 0.02 0.02) = 1.010% kept HN VAL 105 - HB2 ASN 119 5.556% * 0.9274% (0.32 0.02 0.02) = 0.927% HN ALA 11 - HB3 ASN 119 5.556% * 0.8995% (0.31 0.02 0.02) = 0.899% HN VAL 94 - HB2 ASN 119 5.556% * 0.8542% (0.30 0.02 0.02) = 0.854% HN ALA 33 - HB3 ASN 89 5.556% * 0.7757% (0.27 0.02 0.02) = 0.776% HN VAL 105 - HB3 ASN 119 5.556% * 0.6768% (0.24 0.02 0.02) = 0.677% HN VAL 94 - HB3 ASN 119 5.556% * 0.6234% (0.22 0.02 0.02) = 0.623% HN ALA 11 - HB3 ASN 89 5.556% * 0.5304% (0.18 0.02 0.02) = 0.530% HN VAL 105 - HB3 ASN 89 5.556% * 0.3991% (0.14 0.02 0.02) = 0.399% HN VAL 94 - HB3 ASN 89 5.556% * 0.3676% (0.13 0.02 0.02) = 0.368% HN GLN 16 - HB3 ASN 89 5.556% * 0.2045% (0.07 0.02 0.02) = 0.204% Peak 1768 (7.64, 2.80, 38.93 ppm): 12 chemical-shift based assignments, quality = 0.361, support = 1.01, residual support = 3.33: * O HD21 ASN 89 - HB3 ASN 89 8.333% * 73.2531% (0.29 10.0 1.00 3.97) = 73.253% kept HD21 ASN 89 - HB3 ASN 119 8.333% * 17.7559% (0.54 1.0 1.30 1.62) = 17.756% kept HD21 ASN 89 - HB2 ASN 119 8.333% * 8.3847% (0.60 1.0 0.55 1.62) = 8.385% kept HD21 ASN 57 - HB2 ASN 119 8.333% * 0.1475% (0.29 1.0 0.02 0.02) = 0.147% HD21 ASN 57 - HB3 ASN 119 8.333% * 0.1328% (0.26 1.0 0.02 0.02) = 0.133% HD21 ASN 57 - HB3 ASN 89 8.333% * 0.0715% (0.14 1.0 0.02 0.02) = 0.071% HN TYR 83 - HB2 ASN 119 8.333% * 0.0600% (0.12 1.0 0.02 0.02) = 0.060% HN TYR 83 - HB3 ASN 119 8.333% * 0.0540% (0.11 1.0 0.02 0.02) = 0.054% HN ASP- 25 - HB2 ASN 119 8.333% * 0.0467% (0.09 1.0 0.02 0.02) = 0.047% HN ASP- 25 - HB3 ASN 119 8.333% * 0.0421% (0.08 1.0 0.02 0.02) = 0.042% HN TYR 83 - HB3 ASN 89 8.333% * 0.0291% (0.06 1.0 0.02 0.02) = 0.029% HN ASP- 25 - HB3 ASN 89 8.333% * 0.0227% (0.05 1.0 0.02 0.02) = 0.023% Peak 1769 (7.07, 2.33, 39.09 ppm): 2 chemical-shift based assignments, quality = 0.304, support = 2.0, residual support = 39.8: * O QD TYR 83 - HB2 TYR 83 50.000% * 99.9745% (0.30 10.0 2.00 39.83) = 99.975% kept QE PHE 21 - HB2 TYR 83 50.000% * 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 = 0.554, support = 1.14, residual support = 4.03: * O HD21 ASN 119 - HB2 ASN 119 11.111% * 56.8085% (0.70 10.0 1.00 4.43) = 56.808% kept O HD21 ASN 119 - HB3 ASN 119 11.111% * 33.1204% (0.27 10.0 1.50 4.43) = 33.120% kept QD PHE 21 - HB2 ASN 119 11.111% * 5.5987% (0.81 1.0 0.85 0.10) = 5.599% kept HD22 ASN 15 - HB2 ASN 119 11.111% * 2.2725% (0.75 1.0 0.37 0.95) = 2.273% kept HD22 ASN 15 - HB3 ASN 119 11.111% * 2.0680% (0.29 1.0 0.87 0.95) = 2.068% kept QD PHE 21 - HB3 ASN 119 11.111% * 0.0510% (0.31 1.0 0.02 0.10) = 0.051% QD PHE 21 - HB3 ASN 89 11.111% * 0.0289% (0.18 1.0 0.02 0.02) = 0.029% HD22 ASN 15 - HB3 ASN 89 11.111% * 0.0269% (0.16 1.0 0.02 0.44) = 0.027% HD21 ASN 119 - HB3 ASN 89 11.111% * 0.0250% (0.15 1.0 0.02 1.62) = 0.025% Peak 1771 (4.72, 2.80, 38.92 ppm): 18 chemical-shift based assignments, quality = 0.498, support = 0.556, residual support = 0.468: HA LYS+ 20 - HB2 ASN 119 5.556% * 33.7130% (0.78 0.64 0.12) = 33.713% kept HA GLN 16 - HB2 ASN 119 5.556% * 15.0549% (0.24 0.93 1.76) = 15.055% kept HA THR 39 - HB2 ASN 119 5.556% * 12.3840% (0.59 0.31 0.02) = 12.384% kept HA GLN 16 - HB3 ASN 119 5.556% * 8.2554% (0.12 1.06 1.76) = 8.255% kept HA2 GLY 30 - HB2 ASN 119 5.556% * 8.2146% (0.65 0.19 0.02) = 8.215% kept HA LYS+ 20 - HB3 ASN 119 5.556% * 8.1850% (0.37 0.33 0.12) = 8.185% kept HA THR 39 - HB3 ASN 119 5.556% * 5.9382% (0.29 0.31 0.02) = 5.938% kept HA2 GLY 30 - HB3 ASN 119 5.556% * 5.2782% (0.31 0.25 0.02) = 5.278% kept HA THR 61 - HB2 ASN 119 5.556% * 0.6372% (0.47 0.02 0.02) = 0.637% HA VAL 99 - HB2 ASN 119 5.556% * 0.4710% (0.35 0.02 0.02) = 0.471% HA LYS+ 20 - HB3 ASN 89 5.556% * 0.3368% (0.25 0.02 0.02) = 0.337% HA THR 61 - HB3 ASN 119 5.556% * 0.3055% (0.23 0.02 0.02) = 0.306% HA2 GLY 30 - HB3 ASN 89 5.556% * 0.2820% (0.21 0.02 0.02) = 0.282% HA THR 39 - HB3 ASN 89 5.556% * 0.2580% (0.19 0.02 0.02) = 0.258% HA VAL 99 - HB3 ASN 119 5.556% * 0.2259% (0.17 0.02 0.02) = 0.226% HA THR 61 - HB3 ASN 89 5.556% * 0.2048% (0.15 0.02 0.02) = 0.205% HA VAL 99 - HB3 ASN 89 5.556% * 0.1514% (0.11 0.02 0.02) = 0.151% HA GLN 16 - HB3 ASN 89 5.556% * 0.1042% (0.08 0.02 0.02) = 0.104% Peak 1772 (3.35, 3.35, 39.08 ppm): 1 diagonal assignment: * HB3 TYR 83 - HB3 TYR 83 (0.40) kept Peak 1773 (3.35, 2.33, 39.07 ppm): 1 chemical-shift based assignment, quality = 0.396, support = 2.0, residual support = 39.8: * O T HB3 TYR 83 - HB2 TYR 83 100.000% *100.0000% (0.40 10.0 10.00 2.00 39.83) = 100.000% kept Peak 1779 (2.81, 2.75, 39.03 ppm): 1 diagonal assignment: * HB2 ASN 119 - HB2 ASN 119 (0.08) kept Peak 1781 (2.79, 2.82, 39.01 ppm): 2 diagonal assignments: * HB2 ASN 119 - HB2 ASN 119 (0.21) kept HB3 ASN 89 - HB3 ASN 89 (0.06) kept Peak 1786 (2.33, 3.35, 39.10 ppm): 7 chemical-shift based assignments, quality = 0.453, support = 1.97, residual support = 39.1: * O T HB2 TYR 83 - HB3 TYR 83 14.286% * 98.1504% (0.45 10.0 10.00 2.00 39.83) = 98.150% kept HG2 PRO 112 - HB3 TYR 83 14.286% * 1.6284% (0.40 1.0 1.00 0.38 0.02) = 1.628% kept HB3 PRO 86 - HB3 TYR 83 14.286% * 0.0802% (0.37 1.0 1.00 0.02 0.02) = 0.080% HG3 GLU- 56 - HB3 TYR 83 14.286% * 0.0802% (0.37 1.0 1.00 0.02 0.02) = 0.080% HB2 GLU- 64 - HB3 TYR 83 14.286% * 0.0278% (0.13 1.0 1.00 0.02 0.02) = 0.028% HG3 GLU- 50 - HB3 TYR 83 14.286% * 0.0175% (0.08 1.0 1.00 0.02 0.02) = 0.018% HG2 GLU- 64 - HB3 TYR 83 14.286% * 0.0155% (0.07 1.0 1.00 0.02 0.02) = 0.015% Peak 1787 (2.33, 2.33, 39.10 ppm): 1 diagonal assignment: * HB2 TYR 83 - HB2 TYR 83 (0.47) kept Peak 1788 (1.91, 1.90, 38.95 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1790 (0.39, 1.74, 38.81 ppm): 2 chemical-shift based assignments, quality = 0.969, support = 5.54, residual support = 149.8: O T QD1 ILE 48 - HB ILE 48 50.000% * 50.0000% (0.97 10.0 10.00 5.84 149.82) = 50.000% kept * O HG12 ILE 48 - HB ILE 48 50.000% * 50.0000% (0.97 10.0 1.00 5.25 149.82) = 50.000% kept Peak 1791 (7.31, 1.74, 38.80 ppm): 7 chemical-shift based assignments, quality = 0.688, support = 5.62, residual support = 111.5: * O HN ILE 48 - HB ILE 48 14.286% * 69.2005% (0.66 10.0 6.14 149.82) = 69.200% kept HN VAL 47 - HB ILE 48 14.286% * 22.4973% (0.77 1.0 5.58 34.45) = 22.497% kept QD PHE 34 - HB ILE 48 14.286% * 6.3915% (0.70 1.0 1.75 1.37) = 6.392% kept HN ARG+ 84 - HB ILE 48 14.286% * 1.0469% (0.81 1.0 0.25 0.02) = 1.047% kept HZ2 TRP 51 - HB ILE 48 14.286% * 0.8078% (0.27 1.0 0.58 0.02) = 0.808% QE PHE 34 - HB ILE 48 14.286% * 0.0280% (0.27 1.0 0.02 1.37) = 0.028% HZ PHE 34 - HB ILE 48 14.286% * 0.0280% (0.27 1.0 0.02 1.37) = 0.028% Peak 1792 (2.99, 2.98, 38.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1795 (1.80, 1.80, 38.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1798 (1.47, 1.80, 38.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1799 (0.82, 1.80, 38.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1800 (0.73, 1.74, 38.76 ppm): 10 chemical-shift based assignments, quality = 0.687, support = 6.09, residual support = 129.9: * O QG2 ILE 48 - HB ILE 48 10.000% * 86.7139% (0.70 10.0 6.91 149.82) = 86.714% kept HG3 LYS+ 44 - HB ILE 48 10.000% * 4.9208% (0.62 1.0 1.27 0.51) = 4.921% kept QD1 ILE 68 - HB ILE 48 10.000% * 2.3173% (0.91 1.0 0.41 0.02) = 2.317% kept QG2 THR 96 - HB ILE 48 10.000% * 1.7874% (0.40 1.0 0.72 0.02) = 1.787% kept HG3 LYS+ 66 - HB ILE 48 10.000% * 1.7031% (0.62 1.0 0.44 0.02) = 1.703% kept HG LEU 74 - HB ILE 48 10.000% * 1.5322% (0.87 1.0 0.28 0.02) = 1.532% kept QG2 VAL 65 - HB ILE 48 10.000% * 0.4750% (0.87 1.0 0.09 1.26) = 0.475% QG2 ILE 101 - HB ILE 48 10.000% * 0.4044% (0.62 1.0 0.10 0.14) = 0.404% QG1 VAL 40 - HB ILE 48 10.000% * 0.1160% (0.93 1.0 0.02 0.02) = 0.116% QG1 VAL 65 - HB ILE 48 10.000% * 0.0300% (0.24 1.0 0.02 1.26) = 0.030% Peak 1801 (7.42, 2.06, 37.59 ppm): 2 chemical-shift based assignments, quality = 0.127, support = 4.74, residual support = 44.5: * HN GLU- 64 - HG3 GLU- 64 50.000% * 77.3190% (0.11 5.86 57.10) = 77.319% kept HN THR 61 - HG3 GLU- 64 50.000% * 22.6810% (0.20 0.93 1.68) = 22.681% kept Peak 1802 (4.27, 2.28, 37.56 ppm): 19 chemical-shift based assignments, quality = 0.352, support = 4.57, residual support = 55.0: * O HA GLU- 64 - HG2 GLU- 64 5.263% * 96.2834% (0.35 10.0 4.74 57.10) = 96.283% kept HA VAL 94 - HG2 GLU- 64 5.263% * 2.4958% (0.42 1.0 0.44 0.02) = 2.496% kept HA ARG+ 84 - HG2 GLU- 64 5.263% * 0.1150% (0.42 1.0 0.02 0.02) = 0.115% HA SER 85 - HG2 GLU- 64 5.263% * 0.1150% (0.42 1.0 0.02 0.02) = 0.115% HA PRO 52 - HG2 GLU- 64 5.263% * 0.1150% (0.42 1.0 0.02 0.02) = 0.115% HA GLU- 56 - HG2 GLU- 64 5.263% * 0.1090% (0.40 1.0 0.02 0.02) = 0.109% HA VAL 122 - HG2 GLU- 64 5.263% * 0.1034% (0.38 1.0 0.02 0.02) = 0.103% HA LEU 90 - HG2 GLU- 64 5.263% * 0.0963% (0.35 1.0 0.02 0.02) = 0.096% HA GLU- 75 - HG2 GLU- 64 5.263% * 0.0923% (0.34 1.0 0.02 0.02) = 0.092% HB3 CYS 121 - HG2 GLU- 64 5.263% * 0.0746% (0.27 1.0 0.02 0.02) = 0.075% HA THR 106 - HG2 GLU- 64 5.263% * 0.0606% (0.22 1.0 0.02 0.02) = 0.061% HA CYS 121 - HG2 GLU- 64 5.263% * 0.0561% (0.21 1.0 0.02 0.02) = 0.056% HA GLU- 107 - HG2 GLU- 64 5.263% * 0.0561% (0.21 1.0 0.02 0.02) = 0.056% HA ASN 119 - HG2 GLU- 64 5.263% * 0.0561% (0.21 1.0 0.02 0.02) = 0.056% HA ASN 76 - HG2 GLU- 64 5.263% * 0.0517% (0.19 1.0 0.02 0.02) = 0.052% HA ALA 11 - HG2 GLU- 64 5.263% * 0.0433% (0.16 1.0 0.02 0.02) = 0.043% HA ASP- 36 - HG2 GLU- 64 5.263% * 0.0320% (0.12 1.0 0.02 0.02) = 0.032% HA PRO 59 - HG2 GLU- 64 5.263% * 0.0228% (0.08 1.0 0.02 0.02) = 0.023% HB3 SER 49 - HG2 GLU- 64 5.263% * 0.0213% (0.08 1.0 0.02 0.80) = 0.021% Peak 1803 (4.27, 2.06, 37.52 ppm): 22 chemical-shift based assignments, quality = 0.283, support = 3.54, residual support = 56.4: * O HA GLU- 64 - HG3 GLU- 64 4.545% * 98.7880% (0.29 10.0 3.58 57.10) = 98.788% kept HA GLU- 56 - HG3 GLU- 64 4.545% * 0.1024% (0.30 1.0 0.02 0.02) = 0.102% HA GLU- 75 - HG3 GLU- 64 4.545% * 0.0968% (0.28 1.0 0.02 0.02) = 0.097% HA ARG+ 84 - HG3 GLU- 64 4.545% * 0.0945% (0.27 1.0 0.02 0.02) = 0.094% HA SER 85 - HG3 GLU- 64 4.545% * 0.0945% (0.27 1.0 0.02 0.02) = 0.094% HA PRO 52 - HG3 GLU- 64 4.545% * 0.0945% (0.27 1.0 0.02 0.02) = 0.094% HA VAL 94 - HG3 GLU- 64 4.545% * 0.0918% (0.27 1.0 0.02 0.02) = 0.092% HA VAL 122 - HG3 GLU- 64 4.545% * 0.0743% (0.22 1.0 0.02 0.02) = 0.074% HA ASN 119 - HG3 GLU- 64 4.545% * 0.0703% (0.20 1.0 0.02 0.02) = 0.070% HA GLU- 107 - HG3 GLU- 64 4.545% * 0.0703% (0.20 1.0 0.02 0.02) = 0.070% HA LEU 90 - HG3 GLU- 64 4.545% * 0.0662% (0.19 1.0 0.02 0.02) = 0.066% HA ASN 76 - HG3 GLU- 64 4.545% * 0.0662% (0.19 1.0 0.02 0.02) = 0.066% HA ALA 11 - HG3 GLU- 64 4.545% * 0.0580% (0.17 1.0 0.02 0.02) = 0.058% HB3 CYS 121 - HG3 GLU- 64 4.545% * 0.0459% (0.13 1.0 0.02 0.02) = 0.046% HA THR 106 - HG3 GLU- 64 4.545% * 0.0349% (0.10 1.0 0.02 0.02) = 0.035% HA PRO 59 - HG3 GLU- 64 4.545% * 0.0349% (0.10 1.0 0.02 0.02) = 0.035% HA CYS 121 - HG3 GLU- 64 4.545% * 0.0316% (0.09 1.0 0.02 0.02) = 0.032% HB3 SER 49 - HG3 GLU- 64 4.545% * 0.0216% (0.06 1.0 0.02 0.80) = 0.022% HA GLU- 10 - HG3 GLU- 64 4.545% * 0.0158% (0.05 1.0 0.02 0.02) = 0.016% HA GLU- 54 - HG3 GLU- 64 4.545% * 0.0158% (0.05 1.0 0.02 0.02) = 0.016% HA ASP- 36 - HG3 GLU- 64 4.545% * 0.0158% (0.05 1.0 0.02 0.02) = 0.016% HA LYS+ 108 - HG3 GLU- 64 4.545% * 0.0158% (0.05 1.0 0.02 0.02) = 0.016% Peak 1804 (2.29, 2.05, 37.57 ppm): 8 chemical-shift based assignments, quality = 0.295, support = 2.26, residual support = 48.0: * O T HG2 GLU- 64 - HG3 GLU- 64 12.500% * 84.1241% (0.28 10.0 10.00 2.63 57.10) = 84.124% kept T HG2 PRO 112 - HG3 GLU- 64 12.500% * 14.9990% (0.39 1.0 10.00 0.26 0.02) = 14.999% kept T HG3 GLU- 75 - HG3 GLU- 64 12.500% * 0.5035% (0.17 1.0 10.00 0.02 0.02) = 0.503% HB2 LYS+ 44 - HG3 GLU- 64 12.500% * 0.1158% (0.39 1.0 1.00 0.02 0.02) = 0.116% HB3 PRO 116 - HG3 GLU- 64 12.500% * 0.0936% (0.31 1.0 1.00 0.02 0.02) = 0.094% HB3 PRO 112 - HG3 GLU- 64 12.500% * 0.0719% (0.24 1.0 1.00 0.02 0.02) = 0.072% HB3 LYS+ 117 - HG3 GLU- 64 12.500% * 0.0503% (0.17 1.0 1.00 0.02 0.02) = 0.050% HB VAL 80 - HG3 GLU- 64 12.500% * 0.0418% (0.14 1.0 1.00 0.02 0.02) = 0.042% Peak 1805 (2.03, 2.28, 37.66 ppm): 16 chemical-shift based assignments, quality = 0.474, support = 3.36, residual support = 56.5: O T HG3 GLU- 64 - HG2 GLU- 64 6.250% * 50.3801% (0.49 10.0 10.00 2.63 57.10) = 50.380% kept O HB3 GLU- 64 - HG2 GLU- 64 6.250% * 48.6203% (0.47 10.0 1.00 4.18 57.10) = 48.620% kept T HG2 PRO 116 - HG2 GLU- 64 6.250% * 0.3658% (0.35 1.0 10.00 0.02 0.02) = 0.366% T HG3 PRO 86 - HG2 GLU- 64 6.250% * 0.2452% (0.24 1.0 10.00 0.02 0.02) = 0.245% HB3 GLU- 54 - HG2 GLU- 64 6.250% * 0.0503% (0.49 1.0 1.00 0.02 0.02) = 0.050% HB3 GLU- 10 - HG2 GLU- 64 6.250% * 0.0486% (0.47 1.0 1.00 0.02 0.02) = 0.049% HB3 PRO 31 - HG2 GLU- 64 6.250% * 0.0465% (0.45 1.0 1.00 0.02 0.02) = 0.047% HB3 LYS+ 110 - HG2 GLU- 64 6.250% * 0.0437% (0.42 1.0 1.00 0.02 0.02) = 0.044% HB3 GLU- 107 - HG2 GLU- 64 6.250% * 0.0385% (0.37 1.0 1.00 0.02 0.02) = 0.039% HG2 PRO 112 - HG2 GLU- 64 6.250% * 0.0315% (0.30 1.0 1.00 0.02 0.02) = 0.031% HB3 GLU- 75 - HG2 GLU- 64 6.250% * 0.0256% (0.25 1.0 1.00 0.02 0.02) = 0.026% HB2 GLU- 18 - HG2 GLU- 64 6.250% * 0.0245% (0.24 1.0 1.00 0.02 0.02) = 0.025% HG3 PRO 112 - HG2 GLU- 64 6.250% * 0.0226% (0.22 1.0 1.00 0.02 0.02) = 0.023% HB2 GLU- 45 - HG2 GLU- 64 6.250% * 0.0189% (0.18 1.0 1.00 0.02 0.02) = 0.019% HB3 MET 118 - HG2 GLU- 64 6.250% * 0.0189% (0.18 1.0 1.00 0.02 0.02) = 0.019% HB2 HIS+ 14 - HG2 GLU- 64 6.250% * 0.0189% (0.18 1.0 1.00 0.02 0.02) = 0.019% Reference assignment not found: HG3 GLU- 64 - HG3 GLU- 64 Peak 1806 (2.03, 2.06, 37.58 ppm): 1 diagonal assignment: * HG3 GLU- 64 - HG3 GLU- 64 (0.32) kept Peak 1807 (0.36, 4.33, 37.62 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1808 (7.64, 2.89, 37.38 ppm): 3 chemical-shift based assignments, quality = 0.26, support = 1.86, residual support = 19.2: * O HD21 ASN 57 - HB3 ASN 57 33.333% * 99.6388% (0.26 10.0 1.87 19.31) = 99.639% kept HD21 ASN 89 - HB3 ASN 57 33.333% * 0.2821% (0.69 1.0 0.02 0.02) = 0.282% HN TYR 83 - HB3 ASN 57 33.333% * 0.0791% (0.19 1.0 0.02 0.02) = 0.079% Peak 1809 (4.40, 2.90, 37.38 ppm): 14 chemical-shift based assignments, quality = 0.977, support = 2.71, residual support = 19.2: * O HA ASN 57 - HB3 ASN 57 7.143% * 99.2046% (0.99 10.0 2.73 19.31) = 99.205% kept HA THR 95 - HB3 ASN 57 7.143% * 0.0990% (0.98 1.0 0.02 0.02) = 0.099% HA PRO 104 - HB3 ASN 57 7.143% * 0.0957% (0.95 1.0 0.02 0.02) = 0.096% HA PRO 112 - HB3 ASN 57 7.143% * 0.0829% (0.82 1.0 0.02 0.02) = 0.083% HA SER 88 - HB3 ASN 57 7.143% * 0.0794% (0.79 1.0 0.02 0.02) = 0.079% HA PRO 116 - HB3 ASN 57 7.143% * 0.0758% (0.75 1.0 0.02 0.02) = 0.076% HA ALA 91 - HB3 ASN 57 7.143% * 0.0681% (0.68 1.0 0.02 0.02) = 0.068% HA PRO 86 - HB3 ASN 57 7.143% * 0.0681% (0.68 1.0 0.02 0.02) = 0.068% HA HIS+ 14 - HB3 ASN 57 7.143% * 0.0522% (0.52 1.0 0.02 0.02) = 0.052% HA SER 27 - HB3 ASN 57 7.143% * 0.0445% (0.44 1.0 0.02 0.02) = 0.044% HA ALA 37 - HB3 ASN 57 7.143% * 0.0408% (0.41 1.0 0.02 0.02) = 0.041% HA LYS+ 60 - HB3 ASN 57 7.143% * 0.0306% (0.30 1.0 0.02 0.02) = 0.031% HA LYS+ 66 - HB3 ASN 57 7.143% * 0.0306% (0.30 1.0 0.02 0.02) = 0.031% HA TRP 51 - HB3 ASN 57 7.143% * 0.0276% (0.27 1.0 0.02 0.02) = 0.028% Peak 1810 (2.90, 2.90, 37.37 ppm): 1 diagonal assignment: * HB3 ASN 57 - HB3 ASN 57 (0.94) kept Peak 1812 (8.50, 2.22, 37.05 ppm): 16 chemical-shift based assignments, quality = 0.467, support = 3.77, residual support = 48.9: * HN GLU- 18 - HG3 GLU- 18 6.250% * 90.8535% (0.48 4.12 53.83) = 90.853% kept HN LYS+ 113 - HG3 GLU- 18 6.250% * 7.4498% (0.37 0.44 0.02) = 7.450% kept HN GLY 92 - HG3 GLU- 18 6.250% * 0.6285% (0.13 0.10 0.02) = 0.629% HN GLU- 10 - HG3 GLU- 18 6.250% * 0.6229% (0.68 0.02 0.02) = 0.623% HN GLU- 10 - HG3 GLU- 109 6.250% * 0.1240% (0.14 0.02 0.02) = 0.124% HN GLU- 18 - HG3 GLU- 109 6.250% * 0.0879% (0.10 0.02 0.02) = 0.088% HN LYS+ 113 - HG3 GLU- 109 6.250% * 0.0677% (0.07 0.02 0.02) = 0.068% HN GLU- 10 - HG3 GLU- 107 6.250% * 0.0298% (0.03 0.02 0.02) = 0.030% HN GLU- 10 - HG3 GLU- 54 6.250% * 0.0278% (0.03 0.02 0.02) = 0.028% HN GLY 92 - HG3 GLU- 109 6.250% * 0.0244% (0.03 0.02 0.02) = 0.024% HN GLU- 18 - HG3 GLU- 107 6.250% * 0.0211% (0.02 0.02 0.02) = 0.021% HN GLU- 18 - HG3 GLU- 54 6.250% * 0.0197% (0.02 0.02 0.02) = 0.020% HN LYS+ 113 - HG3 GLU- 107 6.250% * 0.0163% (0.02 0.02 0.02) = 0.016% HN LYS+ 113 - HG3 GLU- 54 6.250% * 0.0152% (0.02 0.02 0.02) = 0.015% HN GLY 92 - HG3 GLU- 107 6.250% * 0.0059% (0.01 0.02 0.02) = 0.006% HN GLY 92 - HG3 GLU- 54 6.250% * 0.0055% (0.01 0.02 0.02) = 0.005% Peak 1814 (8.22, 2.46, 36.88 ppm): 10 chemical-shift based assignments, quality = 0.722, support = 3.25, residual support = 35.3: * HN GLU- 45 - HG3 GLU- 45 10.000% * 46.3630% (0.68 5.41 73.84) = 46.363% kept HN SER 49 - HG3 GLU- 45 10.000% * 19.0295% (0.86 1.76 4.72) = 19.030% kept HN ALA 11 - HG3 GLU- 45 10.000% * 17.3795% (0.75 1.82 0.88) = 17.380% kept HN VAL 105 - HG3 GLU- 45 10.000% * 6.9686% (0.89 0.62 0.32) = 6.969% kept HN LEU 67 - HG3 GLU- 45 10.000% * 3.7126% (0.60 0.49 0.02) = 3.713% kept HN LYS+ 81 - HG3 GLU- 45 10.000% * 2.9213% (0.60 0.39 0.23) = 2.921% kept HN GLU- 12 - HG3 GLU- 45 10.000% * 2.4716% (0.48 0.41 0.02) = 2.472% kept HN GLY 58 - HG3 GLU- 45 10.000% * 0.8901% (0.72 0.10 0.02) = 0.890% HN VAL 94 - HG3 GLU- 45 10.000% * 0.2302% (0.91 0.02 0.02) = 0.230% HN THR 106 - HG3 GLU- 45 10.000% * 0.0337% (0.13 0.02 0.02) = 0.034% Peak 1815 (8.23, 2.13, 36.88 ppm): 11 chemical-shift based assignments, quality = 0.719, support = 2.82, residual support = 24.2: HN SER 49 - HG2 GLU- 45 9.091% * 31.2013% (0.97 2.64 4.72) = 31.201% kept * HN GLU- 45 - HG2 GLU- 45 9.091% * 30.6086% (0.48 5.21 73.84) = 30.609% kept HN ALA 11 - HG2 GLU- 45 9.091% * 11.4494% (0.56 1.68 0.88) = 11.449% kept HN LYS+ 81 - HG2 GLU- 45 9.091% * 10.9812% (0.80 1.14 0.23) = 10.981% kept HN VAL 105 - HG2 GLU- 45 9.091% * 6.1633% (0.72 0.70 0.32) = 6.163% kept HN LEU 67 - HG2 GLU- 45 9.091% * 4.7448% (0.80 0.49 0.02) = 4.745% kept HN GLU- 12 - HG2 GLU- 45 9.091% * 3.4949% (0.68 0.42 0.02) = 3.495% kept HN GLY 58 - HG2 GLU- 45 9.091% * 1.0642% (0.89 0.10 0.02) = 1.064% kept HN VAL 94 - HG2 GLU- 45 9.091% * 0.1845% (0.76 0.02 0.02) = 0.184% HN THR 106 - HG2 GLU- 45 9.091% * 0.0602% (0.25 0.02 0.02) = 0.060% HN ASP- 115 - HG2 GLU- 45 9.091% * 0.0478% (0.20 0.02 0.02) = 0.048% Peak 1816 (5.43, 4.31, 36.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1817 (4.80, 2.21, 36.97 ppm): 8 chemical-shift based assignments, quality = 0.541, support = 3.47, residual support = 53.6: * O HA GLU- 18 - HG3 GLU- 18 12.500% * 99.5433% (0.54 10.0 3.49 53.83) = 99.543% kept HA LEU 23 - HG3 GLU- 18 12.500% * 0.1508% (0.82 1.0 0.02 0.02) = 0.151% HB THR 39 - HG3 GLU- 18 12.500% * 0.0933% (0.51 1.0 0.02 0.02) = 0.093% HA ASN 15 - HG3 GLU- 18 12.500% * 0.0633% (0.35 1.0 0.02 0.02) = 0.063% HA LEU 23 - HG3 GLU- 109 12.500% * 0.0553% (0.30 1.0 0.02 0.02) = 0.055% HA GLU- 18 - HG3 GLU- 109 12.500% * 0.0365% (0.20 1.0 0.02 0.02) = 0.037% HB THR 39 - HG3 GLU- 109 12.500% * 0.0342% (0.19 1.0 0.02 0.02) = 0.034% HA ASN 15 - HG3 GLU- 109 12.500% * 0.0232% (0.13 1.0 0.02 0.02) = 0.023% Peak 1818 (4.80, 1.89, 37.06 ppm): 4 chemical-shift based assignments, quality = 0.632, support = 4.79, residual support = 53.7: * O HA GLU- 18 - HG2 GLU- 18 25.000% * 99.6921% (0.63 10.0 4.80 53.83) = 99.692% kept HA LEU 23 - HG2 GLU- 18 25.000% * 0.1511% (0.96 1.0 0.02 0.02) = 0.151% HB THR 39 - HG2 GLU- 18 25.000% * 0.0935% (0.59 1.0 0.02 0.02) = 0.093% HA ASN 15 - HG2 GLU- 18 25.000% * 0.0634% (0.40 1.0 0.02 0.02) = 0.063% Peak 1819 (3.87, 2.13, 36.90 ppm): 10 chemical-shift based assignments, quality = 0.981, support = 3.66, residual support = 73.3: * O HA GLU- 45 - HG2 GLU- 45 10.000% * 99.3115% (0.99 10.0 3.69 73.84) = 99.311% kept HB3 SER 27 - HG2 GLU- 45 10.000% * 0.1000% (0.99 1.0 0.02 0.02) = 0.100% HB3 SER 77 - HG2 GLU- 45 10.000% * 0.0948% (0.94 1.0 0.02 0.02) = 0.095% HA2 GLY 114 - HG2 GLU- 45 10.000% * 0.0948% (0.94 1.0 0.02 0.02) = 0.095% HB2 SER 85 - HG2 GLU- 45 10.000% * 0.0925% (0.92 1.0 0.02 0.02) = 0.092% HB3 SER 88 - HG2 GLU- 45 10.000% * 0.0899% (0.89 1.0 0.02 0.21) = 0.090% HD3 PRO 35 - HG2 GLU- 45 10.000% * 0.0728% (0.72 1.0 0.02 0.02) = 0.073% HD2 PRO 116 - HG2 GLU- 45 10.000% * 0.0648% (0.64 1.0 0.02 0.02) = 0.065% HD2 PRO 86 - HG2 GLU- 45 10.000% * 0.0567% (0.56 1.0 0.02 0.02) = 0.057% HA LYS+ 117 - HG2 GLU- 45 10.000% * 0.0223% (0.22 1.0 0.02 0.02) = 0.022% Peak 1820 (2.46, 2.13, 36.97 ppm): 2 chemical-shift based assignments, quality = 0.846, support = 3.31, residual support = 68.4: * O T HG3 GLU- 45 - HG2 GLU- 45 50.000% * 92.5509% (0.88 10.0 10.00 3.55 73.84) = 92.551% kept T HG2 PRO 112 - HG2 GLU- 45 50.000% * 7.4491% (0.46 1.0 10.00 0.31 0.28) = 7.449% kept Peak 1821 (2.22, 1.89, 37.10 ppm): 14 chemical-shift based assignments, quality = 0.878, support = 1.81, residual support = 30.6: * O HG3 GLU- 18 - HG2 GLU- 18 7.143% * 56.4187% (0.92 10.0 1.00 2.76 53.83) = 56.419% kept T HG3 GLN 102 - HG2 GLU- 18 7.143% * 18.4268% (0.85 1.0 10.00 0.71 0.77) = 18.427% kept T HG3 MET 97 - HG2 GLU- 18 7.143% * 13.0241% (0.98 1.0 10.00 0.44 0.02) = 13.024% kept T HG3 GLN 16 - HG2 GLU- 18 7.143% * 4.9886% (0.27 1.0 10.00 0.60 1.50) = 4.989% kept HG2 PRO 112 - HG2 GLU- 18 7.143% * 2.8581% (0.98 1.0 1.00 0.96 0.12) = 2.858% kept T HG3 MET 126 - HG2 GLU- 18 7.143% * 2.7896% (0.96 1.0 10.00 0.10 0.02) = 2.790% kept T HG2 MET 126 - HG2 GLU- 18 7.143% * 1.2404% (0.40 1.0 10.00 0.10 0.02) = 1.240% kept HA1 GLY 58 - HG2 GLU- 18 7.143% * 0.0596% (0.98 1.0 1.00 0.02 0.02) = 0.060% HB2 GLU- 50 - HG2 GLU- 18 7.143% * 0.0585% (0.96 1.0 1.00 0.02 0.02) = 0.058% HG3 GLU- 109 - HG2 GLU- 18 7.143% * 0.0456% (0.75 1.0 1.00 0.02 0.02) = 0.046% HB2 PRO 52 - HG2 GLU- 18 7.143% * 0.0456% (0.75 1.0 1.00 0.02 0.02) = 0.046% HB3 GLU- 45 - HG2 GLU- 18 7.143% * 0.0203% (0.33 1.0 1.00 0.02 0.02) = 0.020% HG3 GLU- 10 - HG2 GLU- 18 7.143% * 0.0149% (0.24 1.0 1.00 0.02 0.02) = 0.015% HB3 ASN 15 - HG2 GLU- 18 7.143% * 0.0092% (0.15 1.0 1.00 0.02 0.02) = 0.009% Peak 1823 (1.89, 1.89, 37.09 ppm): 1 diagonal assignment: * HG2 GLU- 18 - HG2 GLU- 18 (0.94) kept Peak 1824 (0.96, 2.13, 36.88 ppm): 7 chemical-shift based assignments, quality = 0.778, support = 0.758, residual support = 0.703: QG2 VAL 99 - HG2 GLU- 45 14.286% * 25.6243% (0.99 0.75 0.58) = 25.624% kept QG2 VAL 73 - HG2 GLU- 45 14.286% * 25.1142% (0.80 0.92 1.63) = 25.114% kept QG2 ILE 29 - HG2 GLU- 45 14.286% * 21.1017% (0.83 0.74 0.15) = 21.102% kept * QG2 VAL 62 - HG2 GLU- 45 14.286% * 16.9789% (0.68 0.72 0.50) = 16.979% kept QG2 VAL 105 - HG2 GLU- 45 14.286% * 6.8306% (0.28 0.72 0.32) = 6.831% kept QG1 VAL 105 - HG2 GLU- 45 14.286% * 2.6230% (0.34 0.22 0.32) = 2.623% kept QD1 LEU 17 - HG2 GLU- 45 14.286% * 1.7272% (0.31 0.16 0.02) = 1.727% kept Peak 1825 (9.09, 2.27, 36.54 ppm): 8 chemical-shift based assignments, quality = 0.197, support = 3.49, residual support = 16.8: * HN GLU- 54 - HG3 GLU- 54 12.500% * 90.5759% (0.20 3.84 18.51) = 90.576% kept HN LYS+ 66 - HG3 GLU- 54 12.500% * 5.9844% (0.25 0.20 0.02) = 5.984% kept HN LYS+ 66 - HG3 GLU- 75 12.500% * 1.1162% (0.46 0.02 0.02) = 1.116% kept HN GLU- 54 - HG3 GLU- 75 12.500% * 0.8607% (0.36 0.02 0.02) = 0.861% HN LYS+ 66 - HG3 GLU- 107 12.500% * 0.5887% (0.24 0.02 0.02) = 0.589% HN GLU- 54 - HG3 GLU- 107 12.500% * 0.4539% (0.19 0.02 0.02) = 0.454% HN LYS+ 66 - HG3 GLU- 10 12.500% * 0.2372% (0.10 0.02 0.02) = 0.237% HN GLU- 54 - HG3 GLU- 10 12.500% * 0.1829% (0.08 0.02 0.02) = 0.183% Peak 1826 (8.96, 1.37, 36.77 ppm): 6 chemical-shift based assignments, quality = 0.796, support = 3.14, residual support = 13.7: HN MET 97 - HB3 LYS+ 20 16.667% * 39.1248% (0.98 4.34 7.95) = 39.125% kept HN ILE 19 - HB3 LYS+ 20 16.667% * 21.4797% (0.72 3.26 45.32) = 21.480% kept HN LEU 17 - HB3 LYS+ 20 16.667% * 11.8199% (0.97 1.33 1.09) = 11.820% kept * HN PHE 21 - HB3 LYS+ 20 16.667% * 11.7917% (0.44 2.90 4.33) = 11.792% kept HN THR 96 - HB3 LYS+ 20 16.667% * 9.6879% (0.56 1.88 1.78) = 9.688% kept HN ARG+ 22 - HB3 LYS+ 20 16.667% * 6.0960% (0.64 1.04 0.12) = 6.096% kept Peak 1827 (8.36, 2.23, 36.64 ppm): 20 chemical-shift based assignments, quality = 0.756, support = 1.84, residual support = 5.37: * HN GLU- 109 - HG3 GLU- 109 5.000% * 37.4153% (0.91 1.82 6.66) = 37.415% kept HN LYS+ 108 - HG3 GLU- 109 5.000% * 36.0758% (0.93 1.72 4.63) = 36.076% kept HN LYS+ 108 - HG3 GLU- 107 5.000% * 20.3143% (0.35 2.57 5.96) = 20.314% kept HN GLU- 109 - HG3 GLU- 107 5.000% * 3.4438% (0.34 0.44 0.02) = 3.444% kept HN ALA 103 - HG3 GLU- 109 5.000% * 0.4259% (0.94 0.02 0.02) = 0.426% HN GLY 71 - HG3 GLU- 109 5.000% * 0.3155% (0.70 0.02 0.02) = 0.315% HN ALA 103 - HG3 GLU- 10 5.000% * 0.2159% (0.48 0.02 0.02) = 0.216% HN LYS+ 108 - HG3 GLU- 10 5.000% * 0.2126% (0.47 0.02 0.02) = 0.213% HN GLU- 109 - HG3 GLU- 10 5.000% * 0.2084% (0.46 0.02 0.02) = 0.208% HN GLU- 50 - HG3 GLU- 109 5.000% * 0.1948% (0.43 0.02 0.02) = 0.195% HN ALA 103 - HG3 GLU- 107 5.000% * 0.1606% (0.35 0.02 0.02) = 0.161% HN GLY 71 - HG3 GLU- 10 5.000% * 0.1599% (0.35 0.02 0.02) = 0.160% HN ALA 103 - HG3 GLU- 54 5.000% * 0.1365% (0.30 0.02 0.02) = 0.136% HN LYS+ 108 - HG3 GLU- 54 5.000% * 0.1344% (0.30 0.02 0.02) = 0.134% HN GLU- 109 - HG3 GLU- 54 5.000% * 0.1317% (0.29 0.02 0.02) = 0.132% HN GLY 71 - HG3 GLU- 107 5.000% * 0.1190% (0.26 0.02 0.02) = 0.119% HN GLY 71 - HG3 GLU- 54 5.000% * 0.1011% (0.22 0.02 0.02) = 0.101% HN GLU- 50 - HG3 GLU- 10 5.000% * 0.0987% (0.22 0.02 0.02) = 0.099% HN GLU- 50 - HG3 GLU- 107 5.000% * 0.0735% (0.16 0.02 0.02) = 0.073% HN GLU- 50 - HG3 GLU- 54 5.000% * 0.0624% (0.14 0.02 0.02) = 0.062% Peak 1828 (8.34, 2.34, 36.71 ppm): 16 chemical-shift based assignments, quality = 0.44, support = 3.11, residual support = 12.5: * HN GLU- 50 - HG3 GLU- 50 6.250% * 54.9668% (0.14 5.28 22.41) = 54.967% kept HN GLU- 50 - HG3 GLU- 56 6.250% * 36.8041% (0.90 0.56 0.47) = 36.804% kept HN ASN 76 - HG3 GLU- 56 6.250% * 2.8928% (0.39 0.10 0.02) = 2.893% kept HN GLU- 109 - HG3 GLU- 56 6.250% * 1.1649% (0.80 0.02 0.02) = 1.165% kept HN ALA 103 - HG3 GLU- 56 6.250% * 1.0658% (0.73 0.02 0.02) = 1.066% kept HN GLY 114 - HG3 GLU- 56 6.250% * 0.7337% (0.50 0.02 0.02) = 0.734% HN LYS+ 108 - HG3 GLU- 56 6.250% * 0.6788% (0.47 0.02 0.02) = 0.679% HN ASN 76 - HG3 GLU- 50 6.250% * 0.5088% (0.06 0.11 0.02) = 0.509% HN GLY 71 - HG3 GLU- 56 6.250% * 0.3105% (0.21 0.02 0.02) = 0.310% HN VAL 99 - HG3 GLU- 56 6.250% * 0.2152% (0.15 0.02 0.02) = 0.215% HN GLU- 109 - HG3 GLU- 50 6.250% * 0.1840% (0.13 0.02 0.02) = 0.184% HN ALA 103 - HG3 GLU- 50 6.250% * 0.1684% (0.12 0.02 0.02) = 0.168% HN GLY 114 - HG3 GLU- 50 6.250% * 0.1159% (0.08 0.02 0.21) = 0.116% HN LYS+ 108 - HG3 GLU- 50 6.250% * 0.1072% (0.07 0.02 0.02) = 0.107% HN GLY 71 - HG3 GLU- 50 6.250% * 0.0490% (0.03 0.02 0.02) = 0.049% HN VAL 99 - HG3 GLU- 50 6.250% * 0.0340% (0.02 0.02 0.02) = 0.034% Peak 1829 (4.74, 1.37, 36.77 ppm): 4 chemical-shift based assignments, quality = 0.645, support = 2.77, residual support = 32.3: * O HA LYS+ 20 - HB3 LYS+ 20 25.000% * 93.6428% (0.67 10.0 2.86 34.46) = 93.643% kept HA2 GLY 30 - HB3 LYS+ 20 25.000% * 4.2367% (0.36 1.0 1.66 0.16) = 4.237% kept HA THR 39 - HB3 LYS+ 20 25.000% * 2.0935% (0.30 1.0 1.00 0.50) = 2.093% kept HA THR 61 - HB3 LYS+ 20 25.000% * 0.0270% (0.19 1.0 0.02 0.12) = 0.027% Peak 1830 (4.53, 4.30, 36.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1832 (4.46, 2.33, 36.73 ppm): 16 chemical-shift based assignments, quality = 0.281, support = 2.01, residual support = 16.7: * O HA GLU- 50 - HG3 GLU- 50 6.250% * 74.1482% (0.12 10.0 2.42 22.41) = 74.148% kept HA GLU- 50 - HG3 GLU- 56 6.250% * 23.6293% (0.82 1.0 0.90 0.47) = 23.629% kept HA MET 118 - HG3 GLU- 56 6.250% * 0.4733% (0.74 1.0 0.02 0.02) = 0.473% HA GLN 102 - HG3 GLU- 56 6.250% * 0.3832% (0.60 1.0 0.02 0.02) = 0.383% HA ILE 100 - HG3 GLU- 56 6.250% * 0.3832% (0.60 1.0 0.02 0.02) = 0.383% HA MET 126 - HG3 GLU- 56 6.250% * 0.2777% (0.44 1.0 0.02 0.02) = 0.278% HA LYS+ 32 - HG3 GLU- 56 6.250% * 0.1800% (0.28 1.0 0.02 0.02) = 0.180% HB THR 24 - HG3 GLU- 56 6.250% * 0.1316% (0.21 1.0 0.02 0.02) = 0.132% HA LYS+ 111 - HG3 GLU- 56 6.250% * 0.1175% (0.18 1.0 0.02 0.02) = 0.117% HA MET 118 - HG3 GLU- 50 6.250% * 0.0671% (0.11 1.0 0.02 0.02) = 0.067% HA GLN 102 - HG3 GLU- 50 6.250% * 0.0543% (0.09 1.0 0.02 0.02) = 0.054% HA ILE 100 - HG3 GLU- 50 6.250% * 0.0543% (0.09 1.0 0.02 1.00) = 0.054% HA MET 126 - HG3 GLU- 50 6.250% * 0.0394% (0.06 1.0 0.02 0.02) = 0.039% HA LYS+ 32 - HG3 GLU- 50 6.250% * 0.0255% (0.04 1.0 0.02 0.02) = 0.026% HB THR 24 - HG3 GLU- 50 6.250% * 0.0187% (0.03 1.0 0.02 0.02) = 0.019% HA LYS+ 111 - HG3 GLU- 50 6.250% * 0.0167% (0.03 1.0 0.02 0.02) = 0.017% Peak 1835 (2.45, 2.46, 36.81 ppm): 1 diagonal assignment: * HG3 GLU- 45 - HG3 GLU- 45 (0.83) kept Peak 1836 (2.34, 2.33, 36.60 ppm): 1 diagonal assignment: HG3 GLU- 56 - HG3 GLU- 56 (0.71) kept Reference assignment not found: HG3 GLU- 50 - HG3 GLU- 50 Peak 1838 (2.13, 2.46, 36.81 ppm): 10 chemical-shift based assignments, quality = 0.9, support = 3.35, residual support = 68.9: * O T HG2 GLU- 45 - HG3 GLU- 45 10.000% * 93.3214% (0.91 10.0 10.00 3.55 73.84) = 93.321% kept HB VAL 105 - HG3 GLU- 45 10.000% * 2.6534% (0.84 1.0 1.00 0.61 0.32) = 2.653% kept HB3 GLU- 75 - HG3 GLU- 45 10.000% * 2.4113% (0.77 1.0 1.00 0.61 0.11) = 2.411% kept HG2 PRO 112 - HG3 GLU- 45 10.000% * 1.2851% (0.82 1.0 1.00 0.31 0.28) = 1.285% kept HB2 ASP- 28 - HG3 GLU- 45 10.000% * 0.0839% (0.82 1.0 1.00 0.02 0.02) = 0.084% HB2 GLU- 56 - HG3 GLU- 45 10.000% * 0.0679% (0.66 1.0 1.00 0.02 0.02) = 0.068% HB VAL 87 - HG3 GLU- 45 10.000% * 0.0642% (0.63 1.0 1.00 0.02 1.57) = 0.064% HB3 LYS+ 78 - HG3 GLU- 45 10.000% * 0.0419% (0.41 1.0 1.00 0.02 0.02) = 0.042% HB3 LEU 43 - HG3 GLU- 45 10.000% * 0.0419% (0.41 1.0 1.00 0.02 0.02) = 0.042% HB VAL 47 - HG3 GLU- 45 10.000% * 0.0289% (0.28 1.0 1.00 0.02 0.19) = 0.029% Peak 1843 (1.37, 1.37, 36.76 ppm): 1 diagonal assignment: * HB3 LYS+ 20 - HB3 LYS+ 20 (0.94) kept Peak 1846 (1.05, 1.37, 36.76 ppm): 1 chemical-shift based assignment, quality = 0.746, support = 4.22, residual support = 34.5: * O HG3 LYS+ 20 - HB3 LYS+ 20 100.000% *100.0000% (0.75 10.0 4.22 34.46) = 100.000% kept Peak 1847 (0.96, 2.46, 36.82 ppm): 7 chemical-shift based assignments, quality = 0.552, support = 0.75, residual support = 0.709: QG2 VAL 99 - HG3 GLU- 45 14.286% * 29.1573% (0.88 0.64 0.58) = 29.157% kept QG2 VAL 73 - HG3 GLU- 45 14.286% * 25.2064% (0.53 0.93 1.63) = 25.206% kept QG2 ILE 29 - HG3 GLU- 45 14.286% * 16.1841% (0.56 0.56 0.15) = 16.184% kept * QG2 VAL 62 - HG3 GLU- 45 14.286% * 10.7368% (0.42 0.50 0.50) = 10.737% kept QG1 VAL 105 - HG3 GLU- 45 14.286% * 10.0080% (0.16 1.19 0.32) = 10.008% kept QG2 VAL 105 - HG3 GLU- 45 14.286% * 6.0650% (0.13 0.93 0.32) = 6.065% kept QD1 LEU 17 - HG3 GLU- 45 14.286% * 2.6425% (0.14 0.36 0.02) = 2.642% kept Peak 1849 (0.69, 1.37, 36.75 ppm): 9 chemical-shift based assignments, quality = 0.872, support = 2.08, residual support = 14.4: T QG2 VAL 94 - HB3 LYS+ 20 11.111% * 53.8404% (0.98 10.00 1.58 4.01) = 53.840% kept * T QG2 THR 96 - HB3 LYS+ 20 11.111% * 18.7817% (0.48 10.00 1.13 1.78) = 18.782% kept QD1 ILE 19 - HB3 LYS+ 20 11.111% * 14.1309% (0.98 1.00 4.14 45.32) = 14.131% kept HG12 ILE 19 - HB3 LYS+ 20 11.111% * 12.0833% (0.97 1.00 3.57 45.32) = 12.083% kept QG1 VAL 62 - HB3 LYS+ 20 11.111% * 0.9216% (0.59 1.00 0.44 0.66) = 0.922% QG2 ILE 68 - HB3 LYS+ 20 11.111% * 0.0682% (0.98 1.00 0.02 0.02) = 0.068% QG2 ILE 48 - HB3 LYS+ 20 11.111% * 0.0682% (0.98 1.00 0.02 0.02) = 0.068% QG2 ILE 101 - HB3 LYS+ 20 11.111% * 0.0588% (0.84 1.00 0.02 0.02) = 0.059% QG1 VAL 65 - HB3 LYS+ 20 11.111% * 0.0470% (0.67 1.00 0.02 0.02) = 0.047% Peak 1850 (8.82, 1.59, 36.42 ppm): 3 chemical-shift based assignments, quality = 0.945, support = 2.52, residual support = 38.0: * O HN LYS+ 32 - HB3 LYS+ 32 33.333% * 99.8076% (0.95 10.0 2.52 38.07) = 99.808% kept HN LYS+ 60 - HB3 LYS+ 32 33.333% * 0.0972% (0.92 1.0 0.02 0.16) = 0.097% HN ASN 57 - HB3 LYS+ 32 33.333% * 0.0953% (0.90 1.0 0.02 0.02) = 0.095% Peak 1851 (8.76, 2.33, 36.49 ppm): 6 chemical-shift based assignments, quality = 0.276, support = 2.13, residual support = 11.7: HN GLU- 56 - HG3 GLU- 56 16.667% * 38.1031% (0.14 4.18 29.00) = 38.103% kept HN PHE 34 - HG3 GLU- 56 16.667% * 26.0460% (0.46 0.90 0.96) = 26.046% kept HN VAL 62 - HG3 GLU- 56 16.667% * 15.7412% (0.46 0.54 0.02) = 15.741% kept HN THR 95 - HG3 GLU- 56 16.667% * 12.6772% (0.16 1.26 2.82) = 12.677% kept HN SER 69 - HG3 GLU- 56 16.667% * 5.7469% (0.09 0.98 0.92) = 5.747% kept HN ILE 101 - HG3 GLU- 56 16.667% * 1.6856% (0.16 0.17 1.14) = 1.686% kept Peak 1852 (8.75, 2.06, 36.20 ppm): 5 chemical-shift based assignments, quality = 0.632, support = 5.41, residual support = 105.3: * O HN ILE 101 - HB ILE 101 20.000% * 81.5504% (0.61 10.0 6.34 128.96) = 81.550% kept HN VAL 62 - HB ILE 101 20.000% * 7.2765% (0.87 1.0 1.25 0.80) = 7.276% kept HN GLU- 56 - HB ILE 101 20.000% * 6.3893% (0.57 1.0 1.67 1.14) = 6.389% kept HN PHE 34 - HB ILE 101 20.000% * 4.7668% (0.72 1.0 0.99 0.41) = 4.767% kept HN THR 95 - HB ILE 101 20.000% * 0.0171% (0.13 1.0 0.02 0.02) = 0.017% Peak 1853 (8.44, 2.26, 36.43 ppm): 30 chemical-shift based assignments, quality = 0.453, support = 2.42, residual support = 22.1: HN LEU 74 - HG3 GLU- 75 3.333% * 55.8030% (0.62 2.98 27.89) = 55.803% kept HN ARG+ 53 - HG3 GLU- 54 3.333% * 17.8622% (0.31 1.93 31.86) = 17.862% kept HN GLU- 107 - HG3 GLU- 107 3.333% * 13.5600% (0.16 2.80 6.21) = 13.560% kept HN GLU- 107 - HG3 GLU- 75 3.333% * 2.8247% (0.26 0.36 0.02) = 2.825% kept HN CYS 123 - HG3 GLU- 54 3.333% * 2.7496% (0.29 0.31 0.30) = 2.750% kept HN LEU 74 - HG3 GLU- 54 3.333% * 1.9520% (0.36 0.18 0.02) = 1.952% kept HN GLY 92 - HG3 GLU- 75 3.333% * 1.3312% (0.14 0.32 0.02) = 1.331% kept HN LEU 74 - HG3 GLU- 107 3.333% * 1.0887% (0.39 0.09 0.72) = 1.089% kept HN LEU 74 - HG3 GLU- 10 3.333% * 0.3263% (0.54 0.02 0.02) = 0.326% HN ARG+ 53 - HG3 GLU- 75 3.333% * 0.3187% (0.53 0.02 0.02) = 0.319% HN CYS 123 - HG3 GLU- 75 3.333% * 0.3028% (0.50 0.02 0.02) = 0.303% HN ARG+ 53 - HG3 GLU- 10 3.333% * 0.2781% (0.46 0.02 0.02) = 0.278% HN CYS 123 - HG3 GLU- 10 3.333% * 0.2642% (0.44 0.02 0.02) = 0.264% HN ARG+ 53 - HG3 GLU- 107 3.333% * 0.1969% (0.33 0.02 0.02) = 0.197% HN CYS 123 - HG3 GLU- 107 3.333% * 0.1871% (0.31 0.02 0.02) = 0.187% HN GLU- 107 - HG3 GLU- 10 3.333% * 0.1366% (0.23 0.02 0.02) = 0.137% HN LYS+ 117 - HG3 GLU- 75 3.333% * 0.1159% (0.19 0.02 0.02) = 0.116% HN LYS+ 117 - HG3 GLU- 10 3.333% * 0.1012% (0.17 0.02 0.02) = 0.101% HN GLU- 107 - HG3 GLU- 54 3.333% * 0.0907% (0.15 0.02 0.02) = 0.091% HN GLY 92 - HG3 GLU- 10 3.333% * 0.0720% (0.12 0.02 0.02) = 0.072% HN LYS+ 117 - HG3 GLU- 107 3.333% * 0.0716% (0.12 0.02 0.02) = 0.072% HN LYS+ 117 - HG3 GLU- 54 3.333% * 0.0672% (0.11 0.02 0.02) = 0.067% HN LEU 74 - HG3 GLU- 109 3.333% * 0.0556% (0.09 0.02 0.02) = 0.056% HN GLY 92 - HG3 GLU- 107 3.333% * 0.0510% (0.08 0.02 0.02) = 0.051% HN GLY 92 - HG3 GLU- 54 3.333% * 0.0478% (0.08 0.02 0.02) = 0.048% HN ARG+ 53 - HG3 GLU- 109 3.333% * 0.0474% (0.08 0.02 0.02) = 0.047% HN CYS 123 - HG3 GLU- 109 3.333% * 0.0450% (0.07 0.02 0.02) = 0.045% HN GLU- 107 - HG3 GLU- 109 3.333% * 0.0233% (0.04 0.02 0.02) = 0.023% HN LYS+ 117 - HG3 GLU- 109 3.333% * 0.0172% (0.03 0.02 0.02) = 0.017% HN GLY 92 - HG3 GLU- 109 3.333% * 0.0123% (0.02 0.02 0.02) = 0.012% Peak 1854 (8.20, 1.59, 36.43 ppm): 7 chemical-shift based assignments, quality = 0.806, support = 4.01, residual support = 16.6: * HN ALA 33 - HB3 LYS+ 32 14.286% * 97.1969% (0.83 4.12 17.04) = 97.197% kept HN SER 49 - HB3 LYS+ 32 14.286% * 1.2011% (0.13 0.33 0.02) = 1.201% kept HN GLU- 45 - HB3 LYS+ 32 14.286% * 0.4540% (0.80 0.02 0.02) = 0.454% HN ALA 11 - HB3 LYS+ 32 14.286% * 0.4154% (0.73 0.02 0.02) = 0.415% HN VAL 105 - HB3 LYS+ 32 14.286% * 0.3297% (0.58 0.02 0.02) = 0.330% HN VAL 94 - HB3 LYS+ 32 14.286% * 0.3077% (0.54 0.02 0.02) = 0.308% HN GLN 16 - HB3 LYS+ 32 14.286% * 0.0952% (0.17 0.02 0.02) = 0.095% Peak 1855 (7.35, 1.59, 36.42 ppm): 5 chemical-shift based assignments, quality = 0.526, support = 2.49, residual support = 7.03: * QE PHE 34 - HB3 LYS+ 32 20.000% * 36.8128% (0.55 3.39 9.22) = 36.813% kept HZ PHE 34 - HB3 LYS+ 32 20.000% * 27.6753% (0.55 2.55 9.22) = 27.675% kept HZ2 TRP 51 - HB3 LYS+ 32 20.000% * 16.1714% (0.55 1.49 1.46) = 16.171% kept HE22 GLN 102 - HB3 LYS+ 32 20.000% * 11.9267% (0.55 1.10 1.39) = 11.927% kept QD PHE 34 - HB3 LYS+ 32 20.000% * 7.4138% (0.17 2.21 9.22) = 7.414% kept Peak 1856 (4.49, 1.59, 36.43 ppm): 9 chemical-shift based assignments, quality = 0.914, support = 4.26, residual support = 37.9: * O HA LYS+ 32 - HB3 LYS+ 32 11.111% * 99.4934% (0.92 10.0 4.28 38.07) = 99.493% kept HA SER 77 - HB3 LYS+ 32 11.111% * 0.0967% (0.89 1.0 0.02 0.02) = 0.097% HA CYS 123 - HB3 LYS+ 32 11.111% * 0.0967% (0.89 1.0 0.02 0.02) = 0.097% HA MET 126 - HB3 LYS+ 32 11.111% * 0.0824% (0.76 1.0 0.02 0.02) = 0.082% HA GLN 102 - HB3 LYS+ 32 11.111% * 0.0610% (0.56 1.0 0.02 1.39) = 0.061% HA ILE 100 - HB3 LYS+ 32 11.111% * 0.0610% (0.56 1.0 0.02 0.02) = 0.061% HB THR 79 - HB3 LYS+ 32 11.111% * 0.0610% (0.56 1.0 0.02 0.02) = 0.061% HA LYS+ 55 - HB3 LYS+ 32 11.111% * 0.0333% (0.31 1.0 0.02 1.22) = 0.033% HA GLU- 50 - HB3 LYS+ 32 11.111% * 0.0146% (0.13 1.0 0.02 0.02) = 0.015% Peak 1857 (4.24, 2.24, 36.46 ppm): 80 chemical-shift based assignments, quality = 0.545, support = 2.06, residual support = 9.15: O HA GLU- 10 - HG3 GLU- 10 1.250% * 36.3836% (0.96 10.0 1.00 2.31 9.88) = 36.384% kept T HA LYS+ 108 - HG3 GLU- 107 1.250% * 13.4458% (0.42 1.0 10.00 1.71 5.96) = 13.446% kept T HA LYS+ 108 - HG3 GLU- 109 1.250% * 12.5274% (0.33 1.0 10.00 2.44 4.63) = 12.527% kept O HA GLU- 54 - HG3 GLU- 54 1.250% * 11.8888% (0.36 10.0 1.00 1.74 18.51) = 11.889% kept O HA GLU- 109 - HG3 GLU- 109 1.250% * 10.1207% (0.27 10.0 1.00 2.03 6.66) = 10.121% kept O T HA GLU- 107 - HG3 GLU- 107 1.250% * 7.7045% (0.20 10.0 10.00 2.19 6.21) = 7.705% kept O T HA GLU- 75 - HG3 GLU- 75 1.250% * 3.1885% (0.08 10.0 10.00 2.62 24.21) = 3.188% kept HA ALA 11 - HG3 GLU- 10 1.250% * 1.4970% (0.59 1.0 1.00 1.34 2.95) = 1.497% kept T HA ALA 42 - HG3 GLU- 10 1.250% * 0.3598% (0.95 1.0 10.00 0.02 0.02) = 0.360% T HB3 SER 49 - HG3 GLU- 10 1.250% * 0.1569% (0.42 1.0 10.00 0.02 0.02) = 0.157% T HA GLU- 10 - HG3 GLU- 107 1.250% * 0.1569% (0.42 1.0 10.00 0.02 0.02) = 0.157% T HA LYS+ 108 - HG3 GLU- 75 1.250% * 0.1419% (0.38 1.0 10.00 0.02 0.02) = 0.142% T HA GLU- 10 - HG3 GLU- 75 1.250% * 0.1419% (0.38 1.0 10.00 0.02 0.02) = 0.142% T HA LYS+ 108 - HG3 GLU- 54 1.250% * 0.1368% (0.36 1.0 10.00 0.02 0.02) = 0.137% T HA GLU- 10 - HG3 GLU- 54 1.250% * 0.1368% (0.36 1.0 10.00 0.02 0.02) = 0.137% T HA GLU- 10 - HG3 GLU- 109 1.250% * 0.1253% (0.33 1.0 10.00 0.02 0.02) = 0.125% T HA ALA 42 - HG3 GLU- 109 1.250% * 0.1239% (0.33 1.0 10.00 0.02 0.02) = 0.124% T HA ASN 76 - HG3 GLU- 107 1.250% * 0.0833% (0.22 1.0 10.00 0.02 0.02) = 0.083% T HA ASN 119 - HG3 GLU- 107 1.250% * 0.0770% (0.20 1.0 10.00 0.02 0.02) = 0.077% T HA GLU- 12 - HG3 GLU- 107 1.250% * 0.0770% (0.20 1.0 10.00 0.02 0.02) = 0.077% T HA ASN 76 - HG3 GLU- 75 1.250% * 0.0753% (0.20 1.0 10.00 0.02 0.02) = 0.075% T HA ASN 76 - HG3 GLU- 54 1.250% * 0.0726% (0.19 1.0 10.00 0.02 0.02) = 0.073% T HA GLU- 12 - HG3 GLU- 75 1.250% * 0.0697% (0.18 1.0 10.00 0.02 0.02) = 0.070% T HA GLU- 107 - HG3 GLU- 75 1.250% * 0.0697% (0.18 1.0 10.00 0.02 0.02) = 0.070% T HA ASN 119 - HG3 GLU- 75 1.250% * 0.0697% (0.18 1.0 10.00 0.02 0.02) = 0.070% T HB3 SER 49 - HG3 GLU- 107 1.250% * 0.0677% (0.18 1.0 10.00 0.02 0.02) = 0.068% T HA GLU- 107 - HG3 GLU- 54 1.250% * 0.0672% (0.18 1.0 10.00 0.02 0.02) = 0.067% T HA GLU- 12 - HG3 GLU- 54 1.250% * 0.0672% (0.18 1.0 10.00 0.02 0.02) = 0.067% T HA ASN 119 - HG3 GLU- 54 1.250% * 0.0672% (0.18 1.0 10.00 0.02 0.02) = 0.067% T HA GLU- 12 - HG3 GLU- 109 1.250% * 0.0615% (0.16 1.0 10.00 0.02 0.02) = 0.062% T HA GLU- 107 - HG3 GLU- 109 1.250% * 0.0615% (0.16 1.0 10.00 0.02 0.02) = 0.062% T HB3 SER 49 - HG3 GLU- 109 1.250% * 0.0540% (0.14 1.0 10.00 0.02 0.02) = 0.054% HA LYS+ 108 - HG3 GLU- 10 1.250% * 0.0364% (0.96 1.0 1.00 0.02 0.02) = 0.036% HA GLU- 54 - HG3 GLU- 10 1.250% * 0.0364% (0.96 1.0 1.00 0.02 0.02) = 0.036% T HA GLU- 75 - HG3 GLU- 107 1.250% * 0.0352% (0.09 1.0 10.00 0.02 0.02) = 0.035% HA SER 49 - HG3 GLU- 10 1.250% * 0.0347% (0.92 1.0 1.00 0.02 0.02) = 0.035% T HA GLU- 64 - HG3 GLU- 107 1.250% * 0.0313% (0.08 1.0 10.00 0.02 0.02) = 0.031% T HA GLU- 75 - HG3 GLU- 54 1.250% * 0.0307% (0.08 1.0 10.00 0.02 0.02) = 0.031% HA PRO 59 - HG3 GLU- 10 1.250% * 0.0307% (0.81 1.0 1.00 0.02 0.02) = 0.031% HA GLU- 109 - HG3 GLU- 10 1.250% * 0.0294% (0.78 1.0 1.00 0.02 0.02) = 0.029% T HA GLU- 64 - HG3 GLU- 75 1.250% * 0.0283% (0.07 1.0 10.00 0.02 0.02) = 0.028% T HA GLU- 64 - HG3 GLU- 54 1.250% * 0.0273% (0.07 1.0 10.00 0.02 0.02) = 0.027% HA ASN 76 - HG3 GLU- 10 1.250% * 0.0193% (0.51 1.0 1.00 0.02 0.02) = 0.019% HA GLU- 12 - HG3 GLU- 10 1.250% * 0.0179% (0.47 1.0 1.00 0.02 0.02) = 0.018% HA GLU- 107 - HG3 GLU- 10 1.250% * 0.0179% (0.47 1.0 1.00 0.02 0.02) = 0.018% HA ASN 119 - HG3 GLU- 10 1.250% * 0.0179% (0.47 1.0 1.00 0.02 0.02) = 0.018% T HA ASP- 82 - HG3 GLU- 109 1.250% * 0.0171% (0.05 1.0 10.00 0.02 0.02) = 0.017% HA GLU- 54 - HG3 GLU- 107 1.250% * 0.0157% (0.42 1.0 1.00 0.02 0.02) = 0.016% HA ALA 42 - HG3 GLU- 107 1.250% * 0.0155% (0.41 1.0 1.00 0.02 0.02) = 0.016% HA SER 49 - HG3 GLU- 107 1.250% * 0.0150% (0.40 1.0 1.00 0.02 0.02) = 0.015% HA GLU- 54 - HG3 GLU- 75 1.250% * 0.0142% (0.38 1.0 1.00 0.02 0.02) = 0.014% HA ALA 42 - HG3 GLU- 75 1.250% * 0.0140% (0.37 1.0 1.00 0.02 0.02) = 0.014% HA SER 49 - HG3 GLU- 75 1.250% * 0.0135% (0.36 1.0 1.00 0.02 0.02) = 0.014% HA ALA 42 - HG3 GLU- 54 1.250% * 0.0135% (0.36 1.0 1.00 0.02 0.02) = 0.014% HA PRO 59 - HG3 GLU- 107 1.250% * 0.0132% (0.35 1.0 1.00 0.02 0.02) = 0.013% HA SER 49 - HG3 GLU- 54 1.250% * 0.0131% (0.35 1.0 1.00 0.02 0.02) = 0.013% HA GLU- 109 - HG3 GLU- 107 1.250% * 0.0127% (0.34 1.0 1.00 0.02 0.02) = 0.013% HA GLU- 54 - HG3 GLU- 109 1.250% * 0.0125% (0.33 1.0 1.00 0.02 0.02) = 0.013% HA PRO 59 - HG3 GLU- 75 1.250% * 0.0120% (0.32 1.0 1.00 0.02 0.22) = 0.012% HA SER 49 - HG3 GLU- 109 1.250% * 0.0120% (0.32 1.0 1.00 0.02 0.02) = 0.012% HA PRO 59 - HG3 GLU- 54 1.250% * 0.0115% (0.30 1.0 1.00 0.02 0.02) = 0.012% HA GLU- 109 - HG3 GLU- 75 1.250% * 0.0115% (0.30 1.0 1.00 0.02 0.02) = 0.011% HA GLU- 109 - HG3 GLU- 54 1.250% * 0.0110% (0.29 1.0 1.00 0.02 0.02) = 0.011% HA PRO 59 - HG3 GLU- 109 1.250% * 0.0106% (0.28 1.0 1.00 0.02 0.02) = 0.011% HA ALA 11 - HG3 GLU- 107 1.250% * 0.0096% (0.25 1.0 1.00 0.02 0.02) = 0.010% HA ALA 11 - HG3 GLU- 75 1.250% * 0.0087% (0.23 1.0 1.00 0.02 0.02) = 0.009% HA ALA 11 - HG3 GLU- 54 1.250% * 0.0084% (0.22 1.0 1.00 0.02 0.02) = 0.008% HA GLU- 75 - HG3 GLU- 10 1.250% * 0.0082% (0.22 1.0 1.00 0.02 0.02) = 0.008% HA ALA 11 - HG3 GLU- 109 1.250% * 0.0077% (0.20 1.0 1.00 0.02 0.02) = 0.008% HA GLU- 64 - HG3 GLU- 10 1.250% * 0.0073% (0.19 1.0 1.00 0.02 0.02) = 0.007% HA ASN 76 - HG3 GLU- 109 1.250% * 0.0066% (0.18 1.0 1.00 0.02 0.02) = 0.007% HA ASN 119 - HG3 GLU- 109 1.250% * 0.0062% (0.16 1.0 1.00 0.02 0.02) = 0.006% HB3 SER 49 - HG3 GLU- 75 1.250% * 0.0061% (0.16 1.0 1.00 0.02 0.02) = 0.006% HB3 SER 49 - HG3 GLU- 54 1.250% * 0.0059% (0.16 1.0 1.00 0.02 0.02) = 0.006% HA ASP- 82 - HG3 GLU- 10 1.250% * 0.0050% (0.13 1.0 1.00 0.02 0.02) = 0.005% HA GLU- 75 - HG3 GLU- 109 1.250% * 0.0028% (0.07 1.0 1.00 0.02 0.02) = 0.003% HA GLU- 64 - HG3 GLU- 109 1.250% * 0.0025% (0.07 1.0 1.00 0.02 0.02) = 0.003% HA ASP- 82 - HG3 GLU- 107 1.250% * 0.0021% (0.06 1.0 1.00 0.02 0.02) = 0.002% HA ASP- 82 - HG3 GLU- 75 1.250% * 0.0019% (0.05 1.0 1.00 0.02 0.02) = 0.002% HA ASP- 82 - HG3 GLU- 54 1.250% * 0.0019% (0.05 1.0 1.00 0.02 0.62) = 0.002% Peak 1874 (2.24, 2.24, 36.44 ppm): 5 diagonal assignments: * HG3 GLU- 10 - HG3 GLU- 10 (0.99) kept HG3 GLU- 107 - HG3 GLU- 107 (0.21) kept HG3 GLU- 109 - HG3 GLU- 109 (0.20) kept HG3 GLU- 54 - HG3 GLU- 54 (0.15) kept HG3 GLU- 75 - HG3 GLU- 75 (0.05) kept Peak 1879 (2.01, 2.25, 36.44 ppm): 80 chemical-shift based assignments, quality = 0.449, support = 2.01, residual support = 10.5: * O HB3 GLU- 10 - HG3 GLU- 10 1.250% * 46.2571% (0.66 10.0 1.00 2.47 9.88) = 46.257% kept O T HB3 GLU- 107 - HG3 GLU- 107 1.250% * 25.9772% (0.37 10.0 10.00 2.11 6.21) = 25.977% kept O HB3 GLU- 54 - HG3 GLU- 54 1.250% * 10.6149% (0.20 10.0 1.00 1.52 18.51) = 10.615% kept O T HB3 GLU- 75 - HG3 GLU- 75 1.250% * 9.8031% (0.14 10.0 10.00 1.48 24.21) = 9.803% kept T HB3 GLU- 107 - HG3 GLU- 75 1.250% * 3.9828% (0.37 1.0 10.00 0.30 0.02) = 3.983% kept T HB2 HIS+ 14 - HG3 GLU- 75 1.250% * 0.2750% (0.39 1.0 10.00 0.02 0.13) = 0.275% T HB2 HIS+ 14 - HG3 GLU- 107 1.250% * 0.2716% (0.39 1.0 10.00 0.02 0.02) = 0.272% T HB2 HIS+ 14 - HG3 GLU- 54 1.250% * 0.2379% (0.34 1.0 10.00 0.02 0.02) = 0.238% T HB3 GLU- 107 - HG3 GLU- 54 1.250% * 0.2276% (0.32 1.0 10.00 0.02 0.02) = 0.228% T HB3 GLU- 10 - HG3 GLU- 75 1.250% * 0.1957% (0.28 1.0 10.00 0.02 0.02) = 0.196% T HB3 GLU- 10 - HG3 GLU- 107 1.250% * 0.1933% (0.27 1.0 10.00 0.02 0.02) = 0.193% T HB3 GLU- 10 - HG3 GLU- 54 1.250% * 0.1693% (0.24 1.0 10.00 0.02 0.02) = 0.169% T HG3 GLU- 64 - HG3 GLU- 75 1.250% * 0.1499% (0.21 1.0 10.00 0.02 0.02) = 0.150% T HB3 GLU- 75 - HG3 GLU- 107 1.250% * 0.0968% (0.14 1.0 10.00 0.02 0.02) = 0.097% T HB3 GLU- 75 - HG3 GLU- 54 1.250% * 0.0848% (0.12 1.0 10.00 0.02 0.02) = 0.085% HB2 GLU- 18 - HG3 GLU- 10 1.250% * 0.0672% (0.95 1.0 1.00 0.02 0.02) = 0.067% HG3 PRO 112 - HG3 GLU- 10 1.250% * 0.0667% (0.95 1.0 1.00 0.02 0.02) = 0.067% HB2 HIS+ 14 - HG3 GLU- 10 1.250% * 0.0650% (0.92 1.0 1.00 0.02 0.02) = 0.065% HB3 MET 118 - HG3 GLU- 10 1.250% * 0.0650% (0.92 1.0 1.00 0.02 0.02) = 0.065% HG2 PRO 116 - HG3 GLU- 10 1.250% * 0.0637% (0.90 1.0 1.00 0.02 0.02) = 0.064% HB3 GLU- 107 - HG3 GLU- 10 1.250% * 0.0622% (0.88 1.0 1.00 0.02 0.02) = 0.062% HB3 PRO 31 - HG3 GLU- 10 1.250% * 0.0515% (0.73 1.0 1.00 0.02 0.02) = 0.051% HB3 GLU- 64 - HG3 GLU- 10 1.250% * 0.0463% (0.66 1.0 1.00 0.02 0.02) = 0.046% HG2 PRO 112 - HG3 GLU- 10 1.250% * 0.0386% (0.55 1.0 1.00 0.02 0.02) = 0.039% HB3 GLU- 54 - HG3 GLU- 10 1.250% * 0.0381% (0.54 1.0 1.00 0.02 0.02) = 0.038% HG3 GLU- 64 - HG3 GLU- 10 1.250% * 0.0354% (0.50 1.0 1.00 0.02 0.02) = 0.035% HB2 GLU- 18 - HG3 GLU- 75 1.250% * 0.0284% (0.40 1.0 1.00 0.02 0.02) = 0.028% HG3 PRO 112 - HG3 GLU- 75 1.250% * 0.0282% (0.40 1.0 1.00 0.02 0.30) = 0.028% HB2 GLU- 18 - HG3 GLU- 107 1.250% * 0.0281% (0.40 1.0 1.00 0.02 0.02) = 0.028% HG3 PRO 112 - HG3 GLU- 107 1.250% * 0.0279% (0.40 1.0 1.00 0.02 0.02) = 0.028% HB3 MET 118 - HG3 GLU- 75 1.250% * 0.0275% (0.39 1.0 1.00 0.02 0.02) = 0.028% HB3 MET 118 - HG3 GLU- 107 1.250% * 0.0272% (0.39 1.0 1.00 0.02 0.02) = 0.027% HG2 PRO 116 - HG3 GLU- 75 1.250% * 0.0270% (0.38 1.0 1.00 0.02 0.02) = 0.027% HG2 PRO 116 - HG3 GLU- 107 1.250% * 0.0266% (0.38 1.0 1.00 0.02 0.02) = 0.027% HB2 GLU- 18 - HG3 GLU- 54 1.250% * 0.0246% (0.35 1.0 1.00 0.02 0.02) = 0.025% HG3 PRO 112 - HG3 GLU- 54 1.250% * 0.0244% (0.35 1.0 1.00 0.02 0.12) = 0.024% HB3 MET 118 - HG3 GLU- 54 1.250% * 0.0238% (0.34 1.0 1.00 0.02 0.02) = 0.024% HG2 PRO 116 - HG3 GLU- 54 1.250% * 0.0233% (0.33 1.0 1.00 0.02 0.02) = 0.023% HB3 GLU- 75 - HG3 GLU- 10 1.250% * 0.0232% (0.33 1.0 1.00 0.02 0.02) = 0.023% HB3 PRO 31 - HG3 GLU- 75 1.250% * 0.0218% (0.31 1.0 1.00 0.02 0.02) = 0.022% HB3 PRO 31 - HG3 GLU- 107 1.250% * 0.0215% (0.30 1.0 1.00 0.02 0.02) = 0.022% HB3 GLU- 64 - HG3 GLU- 75 1.250% * 0.0196% (0.28 1.0 1.00 0.02 0.02) = 0.020% HB3 GLU- 64 - HG3 GLU- 107 1.250% * 0.0193% (0.27 1.0 1.00 0.02 0.02) = 0.019% HB2 GLU- 18 - HG3 GLU- 109 1.250% * 0.0193% (0.27 1.0 1.00 0.02 0.02) = 0.019% HG3 PRO 112 - HG3 GLU- 109 1.250% * 0.0192% (0.27 1.0 1.00 0.02 0.02) = 0.019% HB3 PRO 31 - HG3 GLU- 54 1.250% * 0.0188% (0.27 1.0 1.00 0.02 0.02) = 0.019% HB3 MET 118 - HG3 GLU- 109 1.250% * 0.0187% (0.26 1.0 1.00 0.02 0.02) = 0.019% HB2 HIS+ 14 - HG3 GLU- 109 1.250% * 0.0187% (0.26 1.0 1.00 0.02 0.02) = 0.019% HG2 PRO 116 - HG3 GLU- 109 1.250% * 0.0183% (0.26 1.0 1.00 0.02 0.02) = 0.018% HB3 GLU- 107 - HG3 GLU- 109 1.250% * 0.0179% (0.25 1.0 1.00 0.02 0.02) = 0.018% HB3 GLU- 64 - HG3 GLU- 54 1.250% * 0.0169% (0.24 1.0 1.00 0.02 0.02) = 0.017% HB2 LYS+ 108 - HG3 GLU- 10 1.250% * 0.0168% (0.24 1.0 1.00 0.02 0.02) = 0.017% HB3 LYS+ 110 - HG3 GLU- 10 1.250% * 0.0168% (0.24 1.0 1.00 0.02 0.02) = 0.017% HG2 PRO 112 - HG3 GLU- 75 1.250% * 0.0163% (0.23 1.0 1.00 0.02 0.30) = 0.016% HB3 GLU- 54 - HG3 GLU- 75 1.250% * 0.0161% (0.23 1.0 1.00 0.02 0.02) = 0.016% HG2 PRO 112 - HG3 GLU- 107 1.250% * 0.0161% (0.23 1.0 1.00 0.02 0.02) = 0.016% HB3 GLU- 54 - HG3 GLU- 107 1.250% * 0.0159% (0.23 1.0 1.00 0.02 0.02) = 0.016% HG3 GLU- 64 - HG3 GLU- 107 1.250% * 0.0148% (0.21 1.0 1.00 0.02 0.02) = 0.015% HB3 PRO 31 - HG3 GLU- 109 1.250% * 0.0148% (0.21 1.0 1.00 0.02 0.02) = 0.015% HG2 PRO 112 - HG3 GLU- 54 1.250% * 0.0141% (0.20 1.0 1.00 0.02 0.12) = 0.014% HB3 GLU- 64 - HG3 GLU- 109 1.250% * 0.0133% (0.19 1.0 1.00 0.02 0.02) = 0.013% HB3 GLU- 10 - HG3 GLU- 109 1.250% * 0.0133% (0.19 1.0 1.00 0.02 0.02) = 0.013% HG3 GLU- 64 - HG3 GLU- 54 1.250% * 0.0130% (0.18 1.0 1.00 0.02 0.02) = 0.013% HG2 PRO 112 - HG3 GLU- 109 1.250% * 0.0111% (0.16 1.0 1.00 0.02 0.02) = 0.011% HB3 GLU- 54 - HG3 GLU- 109 1.250% * 0.0109% (0.16 1.0 1.00 0.02 0.02) = 0.011% HG3 GLU- 64 - HG3 GLU- 109 1.250% * 0.0102% (0.14 1.0 1.00 0.02 0.02) = 0.010% HB2 PRO 86 - HG3 GLU- 10 1.250% * 0.0091% (0.13 1.0 1.00 0.02 0.02) = 0.009% HB2 LYS+ 108 - HG3 GLU- 75 1.250% * 0.0071% (0.10 1.0 1.00 0.02 0.02) = 0.007% HB3 LYS+ 110 - HG3 GLU- 75 1.250% * 0.0071% (0.10 1.0 1.00 0.02 0.02) = 0.007% HB2 LYS+ 108 - HG3 GLU- 107 1.250% * 0.0070% (0.10 1.0 1.00 0.02 5.96) = 0.007% HB3 LYS+ 110 - HG3 GLU- 107 1.250% * 0.0070% (0.10 1.0 1.00 0.02 0.02) = 0.007% HB3 GLU- 75 - HG3 GLU- 109 1.250% * 0.0067% (0.09 1.0 1.00 0.02 0.02) = 0.007% HB2 LYS+ 108 - HG3 GLU- 54 1.250% * 0.0061% (0.09 1.0 1.00 0.02 0.02) = 0.006% HB3 LYS+ 110 - HG3 GLU- 54 1.250% * 0.0061% (0.09 1.0 1.00 0.02 0.02) = 0.006% HB2 LYS+ 108 - HG3 GLU- 109 1.250% * 0.0048% (0.07 1.0 1.00 0.02 4.63) = 0.005% HB3 LYS+ 110 - HG3 GLU- 109 1.250% * 0.0048% (0.07 1.0 1.00 0.02 5.21) = 0.005% HB2 PRO 86 - HG3 GLU- 75 1.250% * 0.0039% (0.05 1.0 1.00 0.02 0.02) = 0.004% HB2 PRO 86 - HG3 GLU- 107 1.250% * 0.0038% (0.05 1.0 1.00 0.02 0.02) = 0.004% HB2 PRO 86 - HG3 GLU- 54 1.250% * 0.0033% (0.05 1.0 1.00 0.02 0.02) = 0.003% HB2 PRO 86 - HG3 GLU- 109 1.250% * 0.0026% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 1882 (1.59, 1.59, 36.44 ppm): 1 diagonal assignment: * HB3 LYS+ 32 - HB3 LYS+ 32 (0.97) kept Peak 1891 (0.56, 2.08, 36.16 ppm): 3 chemical-shift based assignments, quality = 0.861, support = 5.57, residual support = 128.9: * O T QD1 ILE 101 - HB ILE 101 33.333% * 99.9416% (0.86 10.0 10.00 5.57 128.96) = 99.942% kept QG2 VAL 122 - HB ILE 101 33.333% * 0.0353% (0.30 1.0 1.00 0.02 0.02) = 0.035% QD1 LEU 23 - HB ILE 101 33.333% * 0.0231% (0.20 1.0 1.00 0.02 0.51) = 0.023% Peak 1894 (2.07, 2.06, 36.16 ppm): 1 diagonal assignment: * HB ILE 101 - HB ILE 101 (0.71) kept Peak 1895 (1.63, 2.06, 36.09 ppm): 10 chemical-shift based assignments, quality = 0.752, support = 4.4, residual support = 128.1: * O HG12 ILE 101 - HB ILE 101 10.000% * 99.3643% (0.76 10.0 4.43 128.96) = 99.364% kept HG LEU 23 - HB ILE 101 10.000% * 0.0994% (0.76 1.0 0.02 0.51) = 0.099% HB ILE 68 - HB ILE 101 10.000% * 0.0987% (0.75 1.0 0.02 0.10) = 0.099% HG LEU 43 - HB ILE 101 10.000% * 0.0987% (0.75 1.0 0.02 0.02) = 0.099% HB VAL 122 - HB ILE 101 10.000% * 0.0987% (0.75 1.0 0.02 0.02) = 0.099% HG3 LYS+ 78 - HB ILE 101 10.000% * 0.0832% (0.63 1.0 0.02 0.02) = 0.083% HG2 ARG+ 22 - HB ILE 101 10.000% * 0.0524% (0.40 1.0 0.02 3.69) = 0.052% HG2 LYS+ 110 - HB ILE 101 10.000% * 0.0485% (0.37 1.0 0.02 0.77) = 0.048% HB3 PRO 52 - HB ILE 101 10.000% * 0.0340% (0.26 1.0 0.02 0.02) = 0.034% HD3 LYS+ 32 - HB ILE 101 10.000% * 0.0222% (0.17 1.0 0.02 1.03) = 0.022% Peak 1896 (1.28, 2.07, 36.14 ppm): 6 chemical-shift based assignments, quality = 0.887, support = 4.37, residual support = 127.3: * O HG13 ILE 101 - HB ILE 101 16.667% * 98.6661% (0.89 10.0 4.43 128.96) = 98.666% kept HG2 LYS+ 32 - HB ILE 101 16.667% * 1.0226% (0.58 1.0 0.32 1.03) = 1.023% kept HG2 LYS+ 81 - HB ILE 101 16.667% * 0.0961% (0.87 1.0 0.02 0.02) = 0.096% HB3 LEU 74 - HB ILE 101 16.667% * 0.0831% (0.75 1.0 0.02 0.02) = 0.083% HB2 LYS+ 55 - HB ILE 101 16.667% * 0.0797% (0.72 1.0 0.02 0.02) = 0.080% QB ALA 103 - HB ILE 101 16.667% * 0.0524% (0.47 1.0 0.02 0.02) = 0.052% Peak 1897 (0.72, 2.07, 36.17 ppm): 11 chemical-shift based assignments, quality = 0.767, support = 5.77, residual support = 116.5: * O QG2 ILE 101 - HB ILE 101 9.091% * 90.2059% (0.77 10.0 6.33 128.96) = 90.206% kept QG2 ILE 48 - HB ILE 101 9.091% * 2.6406% (0.76 1.0 0.60 0.14) = 2.641% kept QG2 VAL 65 - HB ILE 101 9.091% * 2.4981% (0.57 1.0 0.75 5.65) = 2.498% kept QG1 VAL 40 - HB ILE 101 9.091% * 2.4281% (0.68 1.0 0.61 0.59) = 2.428% kept HG LEU 74 - HB ILE 101 9.091% * 1.9224% (0.94 1.0 0.35 0.02) = 1.922% kept QG2 THR 96 - HB ILE 101 9.091% * 0.0798% (0.68 1.0 0.02 0.02) = 0.080% QD1 ILE 68 - HB ILE 101 9.091% * 0.0754% (0.65 1.0 0.02 0.10) = 0.075% QG1 VAL 65 - HB ILE 101 9.091% * 0.0578% (0.50 1.0 0.02 5.65) = 0.058% HG3 LYS+ 44 - HB ILE 101 9.091% * 0.0375% (0.32 1.0 0.02 0.02) = 0.037% HG3 LYS+ 66 - HB ILE 101 9.091% * 0.0375% (0.32 1.0 0.02 9.40) = 0.037% QD1 ILE 19 - HB ILE 101 9.091% * 0.0169% (0.15 1.0 0.02 0.02) = 0.017% Peak 1898 (4.98, 1.96, 35.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1899 (1.99, 1.96, 35.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1909 (2.23, 2.25, 35.02 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1911 (8.83, 1.85, 34.49 ppm): 9 chemical-shift based assignments, quality = 0.745, support = 4.98, residual support = 43.4: * O HN LYS+ 60 - HB3 LYS+ 60 11.111% * 95.9529% (0.75 10.0 5.15 45.24) = 95.953% kept HN LYS+ 32 - HB3 LYS+ 60 11.111% * 3.6828% (0.58 1.0 1.00 0.16) = 3.683% kept HN LYS+ 60 - HB2 LYS+ 66 11.111% * 0.1090% (0.86 1.0 0.02 0.02) = 0.109% HN LYS+ 32 - HB2 LYS+ 66 11.111% * 0.0835% (0.66 1.0 0.02 0.02) = 0.083% HN ASN 57 - HB2 LYS+ 66 11.111% * 0.0688% (0.54 1.0 0.02 0.02) = 0.069% HN ASN 57 - HB3 LYS+ 60 11.111% * 0.0606% (0.48 1.0 0.02 0.02) = 0.061% HN LYS+ 60 - HB3 LYS+ 72 11.111% * 0.0177% (0.14 1.0 0.02 0.02) = 0.018% HN LYS+ 32 - HB3 LYS+ 72 11.111% * 0.0136% (0.11 1.0 0.02 0.02) = 0.014% HN ASN 57 - HB3 LYS+ 72 11.111% * 0.0112% (0.09 1.0 0.02 0.02) = 0.011% Peak 1912 (4.43, 1.66, 34.55 ppm): 18 chemical-shift based assignments, quality = 0.608, support = 3.83, residual support = 30.2: * O HA LYS+ 66 - HB3 LYS+ 66 5.556% * 98.8044% (0.62 10.0 3.87 30.59) = 98.804% kept HA LYS+ 111 - HB3 LYS+ 66 5.556% * 0.1438% (0.90 1.0 0.02 0.02) = 0.144% HB THR 24 - HB3 LYS+ 66 5.556% * 0.1435% (0.89 1.0 0.02 0.02) = 0.144% HA LYS+ 111 - HB3 MET 97 5.556% * 0.1366% (0.85 1.0 0.02 0.02) = 0.137% HB THR 24 - HB3 MET 97 5.556% * 0.1363% (0.85 1.0 0.02 0.02) = 0.136% HA LYS+ 66 - HB3 MET 97 5.556% * 0.0938% (0.58 1.0 0.02 0.02) = 0.094% HA MET 118 - HB3 LYS+ 66 5.556% * 0.0645% (0.40 1.0 0.02 0.02) = 0.064% HA HIS+ 14 - HB3 LYS+ 66 5.556% * 0.0645% (0.40 1.0 0.02 0.02) = 0.064% HA MET 118 - HB3 MET 97 5.556% * 0.0613% (0.38 1.0 0.02 0.02) = 0.061% HA HIS+ 14 - HB3 MET 97 5.556% * 0.0613% (0.38 1.0 0.02 0.02) = 0.061% HA PRO 86 - HB3 LYS+ 66 5.556% * 0.0444% (0.28 1.0 0.02 0.02) = 0.044% HA PRO 86 - HB3 MET 97 5.556% * 0.0422% (0.26 1.0 0.02 0.02) = 0.042% HA GLU- 50 - HB3 LYS+ 66 5.556% * 0.0400% (0.25 1.0 0.02 0.02) = 0.040% HA GLU- 50 - HB3 MET 97 5.556% * 0.0380% (0.24 1.0 0.02 0.02) = 0.038% HA PRO 116 - HB3 LYS+ 66 5.556% * 0.0359% (0.22 1.0 0.02 0.02) = 0.036% HA PRO 116 - HB3 MET 97 5.556% * 0.0341% (0.21 1.0 0.02 0.02) = 0.034% HA PRO 112 - HB3 LYS+ 66 5.556% * 0.0285% (0.18 1.0 0.02 0.02) = 0.028% HA PRO 112 - HB3 MET 97 5.556% * 0.0270% (0.17 1.0 0.02 0.02) = 0.027% Peak 1913 (4.37, 1.85, 34.50 ppm): 18 chemical-shift based assignments, quality = 0.784, support = 3.74, residual support = 39.2: * O T HA LYS+ 60 - HB3 LYS+ 60 5.556% * 81.6041% (0.80 10.0 10.00 3.97 45.24) = 81.604% kept HB THR 61 - HB3 LYS+ 60 5.556% * 14.9353% (0.87 1.0 1.00 3.39 15.13) = 14.935% kept T HA TRP 51 - HB2 LYS+ 66 5.556% * 0.9239% (0.91 1.0 10.00 0.02 0.02) = 0.924% T HA LYS+ 60 - HB2 LYS+ 66 5.556% * 0.9016% (0.89 1.0 10.00 0.02 0.02) = 0.902% T HA TRP 51 - HB3 LYS+ 60 5.556% * 0.8362% (0.82 1.0 10.00 0.02 0.02) = 0.836% HB THR 61 - HB2 LYS+ 66 5.556% * 0.0975% (0.96 1.0 1.00 0.02 0.02) = 0.097% HA2 GLY 26 - HB2 LYS+ 66 5.556% * 0.0943% (0.93 1.0 1.00 0.02 0.02) = 0.094% HA2 GLY 26 - HB3 LYS+ 60 5.556% * 0.0853% (0.84 1.0 1.00 0.02 0.02) = 0.085% HA ALA 37 - HB2 LYS+ 66 5.556% * 0.0816% (0.80 1.0 1.00 0.02 0.02) = 0.082% HA SER 27 - HB2 LYS+ 66 5.556% * 0.0782% (0.77 1.0 1.00 0.02 0.02) = 0.078% HA ALA 37 - HB3 LYS+ 60 5.556% * 0.0738% (0.73 1.0 1.00 0.02 0.02) = 0.074% HA SER 27 - HB3 LYS+ 60 5.556% * 0.0708% (0.70 1.0 1.00 0.02 0.02) = 0.071% HA ALA 91 - HB2 LYS+ 66 5.556% * 0.0553% (0.54 1.0 1.00 0.02 0.02) = 0.055% HA ALA 91 - HB3 LYS+ 60 5.556% * 0.0500% (0.49 1.0 1.00 0.02 0.02) = 0.050% HA SER 88 - HB2 LYS+ 66 5.556% * 0.0438% (0.43 1.0 1.00 0.02 0.02) = 0.044% HA SER 88 - HB3 LYS+ 60 5.556% * 0.0396% (0.39 1.0 1.00 0.02 0.02) = 0.040% HA ASN 57 - HB2 LYS+ 66 5.556% * 0.0151% (0.15 1.0 1.00 0.02 0.02) = 0.015% HA ASN 57 - HB3 LYS+ 60 5.556% * 0.0136% (0.13 1.0 1.00 0.02 0.02) = 0.014% Peak 1914 (2.24, 1.67, 34.43 ppm): 32 chemical-shift based assignments, quality = 0.365, support = 1.98, residual support = 10.5: * O T HG3 MET 97 - HB3 MET 97 3.125% * 82.5990% (0.32 10.0 10.00 2.38 12.71) = 82.599% kept T HG3 GLN 16 - HB3 MET 97 3.125% * 2.4001% (0.94 1.0 10.00 0.02 0.96) = 2.400% kept T HG3 GLN 16 - HB3 LYS+ 66 3.125% * 2.3373% (0.92 1.0 10.00 0.02 0.02) = 2.337% kept HG3 GLU- 18 - HB3 MET 97 3.125% * 1.9547% (0.50 1.0 1.00 0.31 0.02) = 1.955% kept T HG3 GLN 102 - HB3 MET 97 3.125% * 1.5665% (0.62 1.0 10.00 0.02 0.02) = 1.566% kept T HG3 GLN 102 - HB3 LYS+ 66 3.125% * 1.5255% (0.60 1.0 10.00 0.02 0.02) = 1.526% kept HB3 GLU- 45 - HB3 LYS+ 66 3.125% * 1.2840% (0.93 1.0 1.00 0.11 0.02) = 1.284% kept HG2 PRO 112 - HB3 LYS+ 66 3.125% * 1.2659% (0.92 1.0 1.00 0.11 0.02) = 1.266% kept T HG3 MET 97 - HB3 LYS+ 66 3.125% * 0.8044% (0.32 1.0 10.00 0.02 0.02) = 0.804% T HG3 MET 126 - HB3 MET 97 3.125% * 0.6038% (0.24 1.0 10.00 0.02 0.02) = 0.604% T HG3 MET 126 - HB3 LYS+ 66 3.125% * 0.5880% (0.23 1.0 10.00 0.02 0.02) = 0.588% HB3 GLU- 45 - HB3 MET 97 3.125% * 0.2421% (0.95 1.0 1.00 0.02 0.02) = 0.242% HG2 PRO 112 - HB3 MET 97 3.125% * 0.2413% (0.95 1.0 1.00 0.02 0.02) = 0.241% HG3 GLU- 10 - HB3 MET 97 3.125% * 0.2374% (0.93 1.0 1.00 0.02 0.02) = 0.237% HG3 GLU- 10 - HB3 LYS+ 66 3.125% * 0.2311% (0.91 1.0 1.00 0.02 0.02) = 0.231% HB3 ASN 15 - HB3 MET 97 3.125% * 0.2172% (0.85 1.0 1.00 0.02 0.02) = 0.217% HB3 ASN 15 - HB3 LYS+ 66 3.125% * 0.2115% (0.83 1.0 1.00 0.02 0.02) = 0.211% HG3 GLU- 109 - HB3 MET 97 3.125% * 0.1851% (0.73 1.0 1.00 0.02 0.02) = 0.185% HB2 PRO 52 - HB3 MET 97 3.125% * 0.1851% (0.73 1.0 1.00 0.02 0.02) = 0.185% HG3 GLU- 109 - HB3 LYS+ 66 3.125% * 0.1802% (0.71 1.0 1.00 0.02 0.02) = 0.180% HB2 PRO 52 - HB3 LYS+ 66 3.125% * 0.1802% (0.71 1.0 1.00 0.02 0.12) = 0.180% HG3 GLU- 18 - HB3 LYS+ 66 3.125% * 0.1241% (0.49 1.0 1.00 0.02 0.02) = 0.124% HG3 GLU- 107 - HB3 MET 97 3.125% * 0.1086% (0.43 1.0 1.00 0.02 0.02) = 0.109% HB2 GLU- 50 - HB3 MET 97 3.125% * 0.1086% (0.43 1.0 1.00 0.02 0.02) = 0.109% HG3 GLU- 107 - HB3 LYS+ 66 3.125% * 0.1057% (0.42 1.0 1.00 0.02 0.02) = 0.106% HB2 GLU- 50 - HB3 LYS+ 66 3.125% * 0.1057% (0.42 1.0 1.00 0.02 0.02) = 0.106% HG3 GLU- 54 - HB3 MET 97 3.125% * 0.0909% (0.36 1.0 1.00 0.02 0.02) = 0.091% HG3 GLU- 54 - HB3 LYS+ 66 3.125% * 0.0885% (0.35 1.0 1.00 0.02 0.02) = 0.089% HA1 GLY 58 - HB3 MET 97 3.125% * 0.0826% (0.32 1.0 1.00 0.02 0.02) = 0.083% HA1 GLY 58 - HB3 LYS+ 66 3.125% * 0.0804% (0.32 1.0 1.00 0.02 0.02) = 0.080% HB VAL 80 - HB3 MET 97 3.125% * 0.0328% (0.13 1.0 1.00 0.02 0.02) = 0.033% HB VAL 80 - HB3 LYS+ 66 3.125% * 0.0319% (0.13 1.0 1.00 0.02 0.02) = 0.032% Peak 1915 (2.14, 2.36, 34.32 ppm): 11 chemical-shift based assignments, quality = 0.277, support = 3.62, residual support = 31.5: O HB3 LYS+ 78 - HB2 LYS+ 78 9.091% * 75.1335% (0.26 10.0 1.00 4.66 41.77) = 75.133% kept T HB2 ASP- 28 - HB2 LYS+ 78 9.091% * 24.0577% (0.34 1.0 10.00 0.49 0.47) = 24.058% kept HG2 PRO 112 - HB2 LYS+ 78 9.091% * 0.4120% (0.31 1.0 1.00 0.09 0.02) = 0.412% HG2 GLU- 45 - HB2 LYS+ 78 9.091% * 0.0821% (0.28 1.0 1.00 0.02 0.02) = 0.082% HB3 GLU- 75 - HB2 LYS+ 78 9.091% * 0.0753% (0.26 1.0 1.00 0.02 0.02) = 0.075% HB VAL 105 - HB2 LYS+ 78 9.091% * 0.0636% (0.22 1.0 1.00 0.02 0.02) = 0.064% HB VAL 47 - HB2 LYS+ 78 9.091% * 0.0596% (0.21 1.0 1.00 0.02 0.02) = 0.060% HB2 GLU- 56 - HB2 LYS+ 78 9.091% * 0.0404% (0.14 1.0 1.00 0.02 0.02) = 0.040% HB VAL 87 - HB2 LYS+ 78 9.091% * 0.0369% (0.13 1.0 1.00 0.02 0.02) = 0.037% HG2 PRO 104 - HB2 LYS+ 78 9.091% * 0.0195% (0.07 1.0 1.00 0.02 0.02) = 0.019% HB3 LEU 43 - HB2 LYS+ 78 9.091% * 0.0195% (0.07 1.0 1.00 0.02 0.02) = 0.019% Peak 1916 (1.68, 1.85, 34.48 ppm): 27 chemical-shift based assignments, quality = 0.292, support = 3.08, residual support = 27.1: * O T HB3 LYS+ 66 - HB2 LYS+ 66 3.704% * 88.5666% (0.30 10.0 10.00 3.46 30.59) = 88.567% kept HB3 MET 126 - HB3 LYS+ 60 3.704% * 3.3546% (0.47 1.0 1.00 0.49 0.02) = 3.355% kept T HB3 MET 97 - HB2 LYS+ 66 3.704% * 1.2638% (0.43 1.0 10.00 0.02 0.02) = 1.264% kept T HB3 MET 97 - HB3 LYS+ 60 3.704% * 1.1765% (0.40 1.0 10.00 0.02 0.02) = 1.177% kept T HB ILE 100 - HB2 LYS+ 66 3.704% * 0.9745% (0.33 1.0 10.00 0.02 4.12) = 0.974% T HB ILE 100 - HB3 LYS+ 60 3.704% * 0.9072% (0.31 1.0 10.00 0.02 0.02) = 0.907% T HB3 LYS+ 66 - HB3 LYS+ 60 3.704% * 0.8245% (0.28 1.0 10.00 0.02 0.02) = 0.825% HG13 ILE 19 - HB2 LYS+ 66 3.704% * 0.2591% (0.88 1.0 1.00 0.02 0.02) = 0.259% HD3 LYS+ 55 - HB2 LYS+ 66 3.704% * 0.2573% (0.87 1.0 1.00 0.02 0.02) = 0.257% T HB3 MET 97 - HB3 LYS+ 72 3.704% * 0.2516% (0.09 1.0 10.00 0.02 0.02) = 0.252% HG2 PRO 52 - HB2 LYS+ 66 3.704% * 0.2456% (0.83 1.0 1.00 0.02 0.12) = 0.246% HG13 ILE 19 - HB3 LYS+ 60 3.704% * 0.2412% (0.82 1.0 1.00 0.02 0.42) = 0.241% HD3 LYS+ 55 - HB3 LYS+ 60 3.704% * 0.2396% (0.81 1.0 1.00 0.02 0.02) = 0.240% HG2 PRO 52 - HB3 LYS+ 60 3.704% * 0.2286% (0.78 1.0 1.00 0.02 0.02) = 0.229% T HB ILE 100 - HB3 LYS+ 72 3.704% * 0.1940% (0.07 1.0 10.00 0.02 0.02) = 0.194% HB3 LYS+ 81 - HB2 LYS+ 66 3.704% * 0.1885% (0.64 1.0 1.00 0.02 0.02) = 0.189% T HB3 LYS+ 66 - HB3 LYS+ 72 3.704% * 0.1763% (0.06 1.0 10.00 0.02 0.02) = 0.176% HB3 LYS+ 81 - HB3 LYS+ 60 3.704% * 0.1755% (0.60 1.0 1.00 0.02 0.13) = 0.176% HB3 MET 126 - HB2 LYS+ 66 3.704% * 0.1470% (0.50 1.0 1.00 0.02 0.02) = 0.147% HG13 ILE 19 - HB3 LYS+ 72 3.704% * 0.0516% (0.18 1.0 1.00 0.02 0.02) = 0.052% HG3 ARG+ 84 - HB2 LYS+ 66 3.704% * 0.0514% (0.17 1.0 1.00 0.02 0.02) = 0.051% HD3 LYS+ 55 - HB3 LYS+ 72 3.704% * 0.0512% (0.17 1.0 1.00 0.02 0.02) = 0.051% HG2 PRO 52 - HB3 LYS+ 72 3.704% * 0.0489% (0.17 1.0 1.00 0.02 0.02) = 0.049% HG3 ARG+ 84 - HB3 LYS+ 60 3.704% * 0.0478% (0.16 1.0 1.00 0.02 0.02) = 0.048% HB3 LYS+ 81 - HB3 LYS+ 72 3.704% * 0.0375% (0.13 1.0 1.00 0.02 0.23) = 0.038% HB3 MET 126 - HB3 LYS+ 72 3.704% * 0.0293% (0.10 1.0 1.00 0.02 0.02) = 0.029% HG3 ARG+ 84 - HB3 LYS+ 72 3.704% * 0.0102% (0.03 1.0 1.00 0.02 0.02) = 0.010% Peak 1917 (1.67, 1.66, 34.47 ppm): 2 diagonal assignments: * HB3 MET 97 - HB3 MET 97 (0.81) kept HB3 LYS+ 66 - HB3 LYS+ 66 (0.79) kept Peak 1919 (1.11, 1.85, 34.53 ppm): 10 chemical-shift based assignments, quality = 0.708, support = 1.88, residual support = 11.4: * QG2 THR 61 - HB3 LYS+ 60 10.000% * 74.8121% (0.78 2.32 15.13) = 74.812% kept QG2 THR 79 - HB3 LYS+ 60 10.000% * 13.5503% (0.81 0.40 0.02) = 13.550% kept QG2 THR 95 - HB2 LYS+ 66 10.000% * 6.8067% (0.13 1.23 0.90) = 6.807% kept QG2 THR 95 - HB3 LYS+ 60 10.000% * 1.9093% (0.14 0.32 0.02) = 1.909% kept HG3 LYS+ 32 - HB2 LYS+ 66 10.000% * 0.8476% (0.27 0.08 0.02) = 0.848% QG2 THR 79 - HB2 LYS+ 66 10.000% * 0.6232% (0.76 0.02 0.02) = 0.623% QG2 THR 61 - HB2 LYS+ 66 10.000% * 0.6001% (0.73 0.02 0.02) = 0.600% HD3 LYS+ 111 - HB3 LYS+ 60 10.000% * 0.3173% (0.39 0.02 0.02) = 0.317% HD3 LYS+ 111 - HB2 LYS+ 66 10.000% * 0.2953% (0.36 0.02 0.02) = 0.295% HG3 LYS+ 32 - HB3 LYS+ 60 10.000% * 0.2382% (0.29 0.02 0.16) = 0.238% Peak 1922 (8.59, 1.88, 34.05 ppm): 8 chemical-shift based assignments, quality = 0.34, support = 2.85, residual support = 8.67: * HN VAL 73 - HB3 LYS+ 72 12.500% * 50.8709% (0.25 4.73 14.89) = 50.871% kept HN LYS+ 20 - HB VAL 94 12.500% * 27.1719% (0.45 1.37 4.01) = 27.172% kept HN VAL 80 - HB VAL 94 12.500% * 8.4346% (0.47 0.41 0.02) = 8.435% kept HN VAL 73 - HB VAL 94 12.500% * 7.1696% (0.39 0.42 0.02) = 7.170% kept HN THR 39 - HB VAL 94 12.500% * 3.7815% (0.48 0.18 0.02) = 3.782% kept HN VAL 80 - HB3 LYS+ 72 12.500% * 1.2672% (0.29 0.10 0.02) = 1.267% kept HN LYS+ 20 - HB3 LYS+ 72 12.500% * 1.0386% (0.28 0.08 0.02) = 1.039% kept HN THR 39 - HB3 LYS+ 72 12.500% * 0.2657% (0.30 0.02 0.02) = 0.266% Peak 1923 (8.32, 2.18, 33.96 ppm): 36 chemical-shift based assignments, quality = 0.601, support = 2.41, residual support = 20.7: * O HN VAL 99 - HB VAL 99 2.778% * 96.4154% (0.61 10.0 2.49 21.50) = 96.415% kept HN VAL 99 - HG2 GLN 102 2.778% * 2.0090% (0.75 1.0 0.34 0.02) = 2.009% kept HN ASN 76 - HG2 GLN 102 2.778% * 0.1487% (0.94 1.0 0.02 0.02) = 0.149% HN GLY 114 - HG2 GLN 102 2.778% * 0.1477% (0.93 1.0 0.02 0.02) = 0.148% HN ASN 76 - HB VAL 99 2.778% * 0.1201% (0.76 1.0 0.02 0.02) = 0.120% HN GLY 114 - HB VAL 99 2.778% * 0.1193% (0.75 1.0 0.02 0.02) = 0.119% HN ASN 76 - HG2 MET 126 2.778% * 0.1094% (0.69 1.0 0.02 0.02) = 0.109% HN GLY 114 - HG2 MET 126 2.778% * 0.1086% (0.68 1.0 0.02 0.02) = 0.109% HN GLU- 50 - HG2 GLN 102 2.778% * 0.0964% (0.61 1.0 0.02 0.02) = 0.096% HN VAL 99 - HG2 MET 126 2.778% * 0.0878% (0.55 1.0 0.02 0.02) = 0.088% HN GLU- 50 - HB VAL 99 2.778% * 0.0779% (0.49 1.0 0.02 0.02) = 0.078% HN GLU- 50 - HG2 MET 126 2.778% * 0.0709% (0.45 1.0 0.02 0.02) = 0.071% HN ALA 91 - HG2 GLN 102 2.778% * 0.0414% (0.26 1.0 0.02 0.02) = 0.041% HN ASN 76 - HG3 MET 126 2.778% * 0.0370% (0.23 1.0 0.02 0.02) = 0.037% HN GLY 114 - HG3 MET 126 2.778% * 0.0368% (0.23 1.0 0.02 0.02) = 0.037% HN ALA 91 - HB VAL 99 2.778% * 0.0335% (0.21 1.0 0.02 0.02) = 0.033% HN ALA 91 - HG2 MET 126 2.778% * 0.0305% (0.19 1.0 0.02 0.02) = 0.030% HN VAL 99 - HG3 MET 126 2.778% * 0.0297% (0.19 1.0 0.02 0.02) = 0.030% HN GLU- 109 - HG2 GLN 102 2.778% * 0.0261% (0.16 1.0 0.02 0.02) = 0.026% HN GLU- 50 - HG3 MET 126 2.778% * 0.0240% (0.15 1.0 0.02 0.02) = 0.024% HN ASN 76 - HB3 LYS+ 78 2.778% * 0.0222% (0.14 1.0 0.02 0.02) = 0.022% HN ASN 76 - HG3 MET 97 2.778% * 0.0221% (0.14 1.0 0.02 0.02) = 0.022% HN GLY 114 - HB3 LYS+ 78 2.778% * 0.0221% (0.14 1.0 0.02 0.02) = 0.022% HN GLY 114 - HG3 MET 97 2.778% * 0.0220% (0.14 1.0 0.02 0.02) = 0.022% HN GLU- 109 - HB VAL 99 2.778% * 0.0211% (0.13 1.0 0.02 0.02) = 0.021% HN GLU- 109 - HG2 MET 126 2.778% * 0.0192% (0.12 1.0 0.02 0.02) = 0.019% HN VAL 99 - HB3 LYS+ 78 2.778% * 0.0178% (0.11 1.0 0.02 0.02) = 0.018% HN VAL 99 - HG3 MET 97 2.778% * 0.0178% (0.11 1.0 0.02 1.69) = 0.018% HN GLU- 50 - HB3 LYS+ 78 2.778% * 0.0144% (0.09 1.0 0.02 0.02) = 0.014% HN GLU- 50 - HG3 MET 97 2.778% * 0.0144% (0.09 1.0 0.02 0.02) = 0.014% HN ALA 91 - HG3 MET 126 2.778% * 0.0103% (0.06 1.0 0.02 0.02) = 0.010% HN GLU- 109 - HG3 MET 126 2.778% * 0.0065% (0.04 1.0 0.02 0.02) = 0.006% HN ALA 91 - HB3 LYS+ 78 2.778% * 0.0062% (0.04 1.0 0.02 0.11) = 0.006% HN ALA 91 - HG3 MET 97 2.778% * 0.0062% (0.04 1.0 0.02 0.02) = 0.006% HN GLU- 109 - HB3 LYS+ 78 2.778% * 0.0039% (0.02 1.0 0.02 0.02) = 0.004% HN GLU- 109 - HG3 MET 97 2.778% * 0.0039% (0.02 1.0 0.02 0.02) = 0.004% Peak 1924 (8.22, 1.85, 33.99 ppm): 20 chemical-shift based assignments, quality = 0.903, support = 3.67, residual support = 49.0: * O HN VAL 94 - HB VAL 94 5.000% * 91.8247% (0.93 10.0 3.93 53.31) = 91.825% kept HN VAL 105 - HB VAL 94 5.000% * 2.7763% (0.91 1.0 0.62 0.02) = 2.776% kept HN LYS+ 81 - HB3 LYS+ 72 5.000% * 2.3928% (0.44 1.0 1.10 0.23) = 2.393% kept HN GLU- 45 - HB3 LYS+ 72 5.000% * 2.1225% (0.64 1.0 0.67 0.02) = 2.123% kept HN VAL 94 - HB3 LYS+ 72 5.000% * 0.0796% (0.81 1.0 0.02 0.02) = 0.080% HN ALA 11 - HB VAL 94 5.000% * 0.0795% (0.80 1.0 0.02 0.02) = 0.079% HN VAL 105 - HB3 LYS+ 72 5.000% * 0.0781% (0.79 1.0 0.02 0.02) = 0.078% HN SER 49 - HB VAL 94 5.000% * 0.0762% (0.77 1.0 0.02 0.02) = 0.076% HN GLU- 45 - HB VAL 94 5.000% * 0.0727% (0.74 1.0 0.02 0.02) = 0.073% HN ALA 11 - HB3 LYS+ 72 5.000% * 0.0689% (0.70 1.0 0.02 0.02) = 0.069% HN SER 49 - HB3 LYS+ 72 5.000% * 0.0661% (0.67 1.0 0.02 0.02) = 0.066% HN GLY 58 - HB VAL 94 5.000% * 0.0616% (0.62 1.0 0.02 0.02) = 0.062% HN GLY 58 - HB3 LYS+ 72 5.000% * 0.0534% (0.54 1.0 0.02 0.02) = 0.053% HN LYS+ 81 - HB VAL 94 5.000% * 0.0501% (0.51 1.0 0.02 0.28) = 0.050% HN LEU 67 - HB VAL 94 5.000% * 0.0501% (0.51 1.0 0.02 0.02) = 0.050% HN LEU 67 - HB3 LYS+ 72 5.000% * 0.0434% (0.44 1.0 0.02 0.21) = 0.043% HN GLU- 12 - HB VAL 94 5.000% * 0.0391% (0.40 1.0 0.02 0.02) = 0.039% HN GLU- 12 - HB3 LYS+ 72 5.000% * 0.0339% (0.34 1.0 0.02 0.02) = 0.034% HN ALA 33 - HB VAL 94 5.000% * 0.0167% (0.17 1.0 0.02 0.02) = 0.017% HN ALA 33 - HB3 LYS+ 72 5.000% * 0.0145% (0.15 1.0 0.02 0.02) = 0.014% Peak 1925 (7.97, 1.87, 34.08 ppm): 6 chemical-shift based assignments, quality = 0.447, support = 3.17, residual support = 25.7: * O HN LYS+ 72 - HB3 LYS+ 72 16.667% * 99.6550% (0.45 10.0 3.18 25.75) = 99.655% kept HN LYS+ 72 - HB VAL 94 16.667% * 0.1214% (0.55 1.0 0.02 0.02) = 0.121% HN LEU 43 - HB VAL 94 16.667% * 0.1139% (0.51 1.0 0.02 0.02) = 0.114% HN LEU 43 - HB3 LYS+ 72 16.667% * 0.0934% (0.42 1.0 0.02 0.02) = 0.093% HN LYS+ 72 - HB2 LYS+ 66 16.667% * 0.0084% (0.04 1.0 0.02 0.02) = 0.008% HN LEU 43 - HB2 LYS+ 66 16.667% * 0.0079% (0.04 1.0 0.02 0.02) = 0.008% Peak 1926 (4.96, 2.20, 34.06 ppm): 30 chemical-shift based assignments, quality = 0.524, support = 1.97, residual support = 12.4: * O HA MET 97 - HG3 MET 97 3.333% * 76.8940% (0.57 10.0 2.06 12.71) = 76.894% kept HA HIS+ 98 - HB VAL 99 3.333% * 7.5528% (0.57 1.0 1.97 13.22) = 7.553% kept HA HIS+ 98 - HG3 MET 97 3.333% * 5.5696% (0.54 1.0 1.51 3.95) = 5.570% kept HA ILE 101 - HG3 GLN 102 3.333% * 3.5287% (0.16 1.0 3.24 25.73) = 3.529% kept HA ILE 101 - HB VAL 99 3.333% * 1.7511% (0.34 1.0 0.75 2.72) = 1.751% kept HA ILE 101 - HG2 GLN 102 3.333% * 1.6972% (0.18 1.0 1.38 25.73) = 1.697% kept HA MET 97 - HB VAL 99 3.333% * 0.9503% (0.59 1.0 0.24 1.69) = 0.950% HA ALA 33 - HB VAL 99 3.333% * 0.8152% (0.22 1.0 0.55 0.02) = 0.815% HA ALA 33 - HG3 GLN 102 3.333% * 0.2529% (0.10 1.0 0.37 1.77) = 0.253% HA HIS+ 98 - HG2 GLN 102 3.333% * 0.1541% (0.30 1.0 0.08 0.02) = 0.154% HA MET 97 - HG2 MET 126 3.333% * 0.0923% (0.68 1.0 0.02 0.02) = 0.092% HA HIS+ 98 - HG2 MET 126 3.333% * 0.0885% (0.65 1.0 0.02 0.02) = 0.089% HA MET 97 - HG3 MET 126 3.333% * 0.0731% (0.54 1.0 0.02 0.02) = 0.073% HA HIS+ 98 - HG3 MET 126 3.333% * 0.0701% (0.52 1.0 0.02 0.02) = 0.070% HA ILE 101 - HG2 MET 126 3.333% * 0.0538% (0.40 1.0 0.02 0.02) = 0.054% HA ILE 101 - HG3 MET 97 3.333% * 0.0448% (0.33 1.0 0.02 0.02) = 0.045% HA ILE 101 - HG3 MET 126 3.333% * 0.0426% (0.31 1.0 0.02 0.02) = 0.043% HA MET 97 - HG2 GLN 102 3.333% * 0.0421% (0.31 1.0 0.02 0.02) = 0.042% HA MET 97 - HG3 GLN 102 3.333% * 0.0373% (0.28 1.0 0.02 0.02) = 0.037% HA HIS+ 98 - HG3 GLN 102 3.333% * 0.0358% (0.26 1.0 0.02 0.02) = 0.036% HA SER 69 - HG2 MET 126 3.333% * 0.0341% (0.25 1.0 0.02 0.02) = 0.034% HA ALA 33 - HG2 MET 126 3.333% * 0.0341% (0.25 1.0 0.02 0.02) = 0.034% HA SER 69 - HB VAL 99 3.333% * 0.0296% (0.22 1.0 0.02 0.02) = 0.030% HA SER 69 - HG3 MET 97 3.333% * 0.0284% (0.21 1.0 0.02 0.02) = 0.028% HA ALA 33 - HG3 MET 97 3.333% * 0.0284% (0.21 1.0 0.02 0.02) = 0.028% HA SER 69 - HG3 MET 126 3.333% * 0.0270% (0.20 1.0 0.02 0.02) = 0.027% HA ALA 33 - HG3 MET 126 3.333% * 0.0270% (0.20 1.0 0.02 0.02) = 0.027% HA SER 69 - HG2 GLN 102 3.333% * 0.0156% (0.11 1.0 0.02 0.02) = 0.016% HA ALA 33 - HG2 GLN 102 3.333% * 0.0156% (0.11 1.0 0.02 1.77) = 0.016% HA SER 69 - HG3 GLN 102 3.333% * 0.0138% (0.10 1.0 0.02 0.02) = 0.014% Peak 1927 (4.79, 2.18, 34.01 ppm): 24 chemical-shift based assignments, quality = 0.612, support = 1.35, residual support = 8.29: * HA LEU 23 - HB VAL 99 4.167% * 58.2297% (0.69 1.97 13.87) = 58.230% kept HA LEU 23 - HG2 GLN 102 4.167% * 20.9422% (0.62 0.78 0.99) = 20.942% kept HA LEU 23 - HG2 MET 126 4.167% * 6.4353% (0.56 0.27 0.02) = 6.435% kept HA ASN 15 - HG2 GLN 102 4.167% * 6.0382% (0.59 0.24 0.02) = 6.038% kept HA GLU- 18 - HB VAL 99 4.167% * 1.7964% (0.31 0.14 0.02) = 1.796% kept HA LEU 23 - HG3 MET 97 4.167% * 1.2976% (0.16 0.19 0.02) = 1.298% kept HA GLU- 18 - HG3 MET 97 4.167% * 1.2964% (0.07 0.42 0.02) = 1.296% kept HA GLU- 18 - HG2 MET 126 4.167% * 1.0842% (0.25 0.10 0.02) = 1.084% kept HA ASN 15 - HB VAL 99 4.167% * 0.5617% (0.65 0.02 0.02) = 0.562% HA ASN 15 - HG2 MET 126 4.167% * 0.4563% (0.53 0.02 0.02) = 0.456% HA GLU- 18 - HG2 GLN 102 4.167% * 0.2392% (0.28 0.02 0.77) = 0.239% HB THR 39 - HB VAL 99 4.167% * 0.2387% (0.28 0.02 0.02) = 0.239% HB THR 39 - HG2 GLN 102 4.167% * 0.2164% (0.25 0.02 0.02) = 0.216% HB THR 39 - HG2 MET 126 4.167% * 0.1939% (0.22 0.02 0.02) = 0.194% HA LEU 23 - HG3 MET 126 4.167% * 0.1845% (0.21 0.02 0.02) = 0.185% HA ASN 15 - HG3 MET 126 4.167% * 0.1754% (0.20 0.02 0.02) = 0.175% HA ASN 15 - HG3 MET 97 4.167% * 0.1326% (0.15 0.02 0.02) = 0.133% HA LEU 23 - HB3 LYS+ 78 4.167% * 0.0957% (0.11 0.02 0.02) = 0.096% HA ASN 15 - HB3 LYS+ 78 4.167% * 0.0909% (0.11 0.02 0.02) = 0.091% HA GLU- 18 - HG3 MET 126 4.167% * 0.0824% (0.10 0.02 0.02) = 0.082% HB THR 39 - HG3 MET 126 4.167% * 0.0745% (0.09 0.02 0.02) = 0.075% HB THR 39 - HG3 MET 97 4.167% * 0.0564% (0.07 0.02 0.02) = 0.056% HA GLU- 18 - HB3 LYS+ 78 4.167% * 0.0427% (0.05 0.02 0.02) = 0.043% HB THR 39 - HB3 LYS+ 78 4.167% * 0.0387% (0.04 0.02 0.13) = 0.039% Peak 1928 (4.58, 1.87, 34.09 ppm): 9 chemical-shift based assignments, quality = 0.67, support = 2.04, residual support = 25.1: * O HA LYS+ 72 - HB3 LYS+ 72 11.111% * 97.3804% (0.67 10.0 2.08 25.75) = 97.380% kept HA LYS+ 78 - HB VAL 94 11.111% * 2.2985% (0.70 1.0 0.46 0.02) = 2.299% kept HA LYS+ 72 - HB VAL 94 11.111% * 0.1166% (0.80 1.0 0.02 0.02) = 0.117% HA LYS+ 78 - HB3 LYS+ 72 11.111% * 0.0843% (0.58 1.0 0.02 0.02) = 0.084% HA ASP- 25 - HB VAL 94 11.111% * 0.0542% (0.37 1.0 0.02 0.02) = 0.054% HA ASP- 25 - HB3 LYS+ 72 11.111% * 0.0452% (0.31 1.0 0.02 0.02) = 0.045% HA LYS+ 72 - HB2 LYS+ 66 11.111% * 0.0089% (0.06 1.0 0.02 0.02) = 0.009% HA LYS+ 78 - HB2 LYS+ 66 11.111% * 0.0077% (0.05 1.0 0.02 0.02) = 0.008% HA ASP- 25 - HB2 LYS+ 66 11.111% * 0.0041% (0.03 1.0 0.02 0.02) = 0.004% Peak 1929 (1.86, 1.85, 34.10 ppm): 3 diagonal assignments: HB3 LYS+ 72 - HB3 LYS+ 72 (0.94) kept * HB VAL 94 - HB VAL 94 (0.89) kept HB2 LYS+ 66 - HB2 LYS+ 66 (0.09) kept Peak 1933 (0.97, 2.18, 33.97 ppm): 24 chemical-shift based assignments, quality = 0.482, support = 1.82, residual support = 20.9: * O T QG2 VAL 99 - HB VAL 99 4.167% * 97.0352% (0.49 10.0 10.00 1.87 21.50) = 97.035% kept T QG2 VAL 99 - HG2 GLN 102 4.167% * 1.0653% (0.54 1.0 10.00 0.02 0.02) = 1.065% kept T QG2 VAL 99 - HG2 MET 126 4.167% * 0.9216% (0.47 1.0 10.00 0.02 0.02) = 0.922% T QG2 VAL 99 - HG3 MET 126 4.167% * 0.3542% (0.18 1.0 10.00 0.02 0.02) = 0.354% T QG2 VAL 99 - HG3 MET 97 4.167% * 0.2290% (0.12 1.0 10.00 0.02 1.69) = 0.229% QG2 ILE 29 - HG2 GLN 102 4.167% * 0.0438% (0.22 1.0 1.00 0.02 0.02) = 0.044% QG2 ILE 29 - HB VAL 99 4.167% * 0.0399% (0.20 1.0 1.00 0.02 0.02) = 0.040% QG2 VAL 73 - HG2 GLN 102 4.167% * 0.0391% (0.20 1.0 1.00 0.02 0.02) = 0.039% QG2 ILE 29 - HG2 MET 126 4.167% * 0.0379% (0.19 1.0 1.00 0.02 0.02) = 0.038% QG2 VAL 73 - HB VAL 99 4.167% * 0.0356% (0.18 1.0 1.00 0.02 0.02) = 0.036% QG2 VAL 73 - HG2 MET 126 4.167% * 0.0338% (0.17 1.0 1.00 0.02 0.02) = 0.034% QG2 VAL 62 - HG2 GLN 102 4.167% * 0.0271% (0.14 1.0 1.00 0.02 0.02) = 0.027% QG2 VAL 62 - HB VAL 99 4.167% * 0.0247% (0.12 1.0 1.00 0.02 1.04) = 0.025% QG2 VAL 62 - HG2 MET 126 4.167% * 0.0234% (0.12 1.0 1.00 0.02 0.02) = 0.023% QG2 ILE 29 - HG3 MET 126 4.167% * 0.0146% (0.07 1.0 1.00 0.02 0.02) = 0.015% QG2 VAL 99 - HB3 LYS+ 78 4.167% * 0.0143% (0.07 1.0 1.00 0.02 0.02) = 0.014% QG2 VAL 73 - HG3 MET 126 4.167% * 0.0130% (0.07 1.0 1.00 0.02 0.02) = 0.013% QG2 ILE 29 - HG3 MET 97 4.167% * 0.0094% (0.05 1.0 1.00 0.02 0.02) = 0.009% QG2 VAL 62 - HG3 MET 126 4.167% * 0.0090% (0.05 1.0 1.00 0.02 0.02) = 0.009% QG2 VAL 73 - HG3 MET 97 4.167% * 0.0084% (0.04 1.0 1.00 0.02 0.02) = 0.008% QG2 ILE 29 - HB3 LYS+ 78 4.167% * 0.0059% (0.03 1.0 1.00 0.02 0.02) = 0.006% QG2 VAL 62 - HG3 MET 97 4.167% * 0.0058% (0.03 1.0 1.00 0.02 0.02) = 0.006% QG2 VAL 73 - HB3 LYS+ 78 4.167% * 0.0052% (0.03 1.0 1.00 0.02 0.02) = 0.005% QG2 VAL 62 - HB3 LYS+ 78 4.167% * 0.0036% (0.02 1.0 1.00 0.02 0.02) = 0.004% Peak 1934 (0.82, 1.85, 33.98 ppm): 18 chemical-shift based assignments, quality = 0.928, support = 3.88, residual support = 49.1: * O T QG1 VAL 94 - HB VAL 94 5.556% * 91.5073% (0.96 10.0 10.00 4.17 53.31) = 91.507% kept QD2 LEU 17 - HB VAL 94 5.556% * 4.5708% (0.89 1.0 1.00 1.08 7.19) = 4.571% kept QD2 LEU 67 - HB3 LYS+ 72 5.556% * 1.6751% (0.47 1.0 1.00 0.75 0.21) = 1.675% kept T QG1 VAL 94 - HB3 LYS+ 72 5.556% * 0.7890% (0.83 1.0 10.00 0.02 0.02) = 0.789% QG1 VAL 13 - HB VAL 94 5.556% * 0.7571% (0.86 1.0 1.00 0.18 0.02) = 0.757% QD1 ILE 29 - HB VAL 94 5.556% * 0.0821% (0.86 1.0 1.00 0.02 0.02) = 0.082% QD2 LEU 90 - HB VAL 94 5.556% * 0.0764% (0.80 1.0 1.00 0.02 0.02) = 0.076% QD2 LEU 17 - HB3 LYS+ 72 5.556% * 0.0728% (0.76 1.0 1.00 0.02 0.02) = 0.073% QG1 VAL 13 - HB3 LYS+ 72 5.556% * 0.0708% (0.74 1.0 1.00 0.02 0.02) = 0.071% QD1 ILE 29 - HB3 LYS+ 72 5.556% * 0.0708% (0.74 1.0 1.00 0.02 0.02) = 0.071% QD2 LEU 90 - HB3 LYS+ 72 5.556% * 0.0659% (0.69 1.0 1.00 0.02 0.02) = 0.066% HG2 LYS+ 117 - HB VAL 94 5.556% * 0.0629% (0.66 1.0 1.00 0.02 0.02) = 0.063% HG2 LYS+ 117 - HB3 LYS+ 72 5.556% * 0.0542% (0.57 1.0 1.00 0.02 0.02) = 0.054% QD2 LEU 67 - HB VAL 94 5.556% * 0.0518% (0.54 1.0 1.00 0.02 0.02) = 0.052% QG2 VAL 13 - HB VAL 94 5.556% * 0.0376% (0.39 1.0 1.00 0.02 0.02) = 0.038% QG2 VAL 13 - HB3 LYS+ 72 5.556% * 0.0324% (0.34 1.0 1.00 0.02 0.02) = 0.032% QD1 ILE 100 - HB VAL 94 5.556% * 0.0124% (0.13 1.0 1.00 0.02 0.02) = 0.012% QD1 ILE 100 - HB3 LYS+ 72 5.556% * 0.0107% (0.11 1.0 1.00 0.02 0.02) = 0.011% Peak 1935 (0.69, 1.85, 33.99 ppm): 20 chemical-shift based assignments, quality = 0.876, support = 2.85, residual support = 37.7: * O T QG2 VAL 94 - HB VAL 94 5.000% * 70.2549% (0.93 10.0 10.00 3.69 53.31) = 70.255% kept T QG2 THR 96 - HB VAL 94 5.000% * 7.2951% (0.63 1.0 10.00 0.30 0.56) = 7.295% kept QD1 ILE 19 - HB VAL 94 5.000% * 5.3999% (0.96 1.0 1.00 1.48 0.38) = 5.400% kept QG2 ILE 68 - HB3 LYS+ 72 5.000% * 3.7936% (0.80 1.0 1.00 1.25 2.90) = 3.794% kept HG12 ILE 19 - HB VAL 94 5.000% * 3.7656% (0.90 1.0 1.00 1.10 0.38) = 3.766% kept QG2 ILE 101 - HB3 LYS+ 72 5.000% * 3.0924% (0.78 1.0 1.00 1.04 1.16) = 3.092% kept QG2 ILE 48 - HB3 LYS+ 72 5.000% * 2.0535% (0.84 1.0 1.00 0.65 0.13) = 2.053% kept QG2 ILE 48 - HB VAL 94 5.000% * 1.8011% (0.97 1.0 1.00 0.49 0.02) = 1.801% kept QG1 VAL 62 - HB3 LYS+ 72 5.000% * 1.0817% (0.38 1.0 1.00 0.75 0.41) = 1.082% kept T QG2 VAL 94 - HB3 LYS+ 72 5.000% * 0.6083% (0.80 1.0 10.00 0.02 0.02) = 0.608% T QG2 THR 96 - HB3 LYS+ 72 5.000% * 0.4160% (0.55 1.0 10.00 0.02 0.02) = 0.416% QG2 ILE 68 - HB VAL 94 5.000% * 0.0703% (0.93 1.0 1.00 0.02 0.02) = 0.070% QG2 ILE 101 - HB VAL 94 5.000% * 0.0688% (0.91 1.0 1.00 0.02 0.02) = 0.069% QD1 ILE 19 - HB3 LYS+ 72 5.000% * 0.0630% (0.83 1.0 1.00 0.02 0.02) = 0.063% QG1 VAL 65 - HB VAL 94 5.000% * 0.0620% (0.82 1.0 1.00 0.02 0.02) = 0.062% HG12 ILE 19 - HB3 LYS+ 72 5.000% * 0.0594% (0.78 1.0 1.00 0.02 0.02) = 0.059% QG1 VAL 65 - HB3 LYS+ 72 5.000% * 0.0537% (0.71 1.0 1.00 0.02 0.02) = 0.054% QG1 VAL 62 - HB VAL 94 5.000% * 0.0333% (0.44 1.0 1.00 0.02 0.02) = 0.033% HG LEU 74 - HB VAL 94 5.000% * 0.0147% (0.19 1.0 1.00 0.02 0.02) = 0.015% HG LEU 74 - HB3 LYS+ 72 5.000% * 0.0127% (0.17 1.0 1.00 0.02 0.38) = 0.013% Peak 1936 (0.58, 2.18, 34.00 ppm): 28 chemical-shift based assignments, quality = 0.809, support = 2.69, residual support = 8.65: * T QD1 LEU 23 - HB VAL 99 3.571% * 59.7975% (0.87 10.00 3.69 13.87) = 59.798% kept T QD1 LEU 23 - HG2 GLN 102 3.571% * 35.7359% (0.78 10.00 1.33 0.99) = 35.736% kept T QD1 LEU 23 - HG3 MET 126 3.571% * 3.4077% (0.35 10.00 0.28 0.02) = 3.408% kept T QD1 LEU 23 - HG2 MET 126 3.571% * 0.5563% (0.81 10.00 0.02 0.02) = 0.556% T QD1 LEU 23 - HG3 MET 97 3.571% * 0.1808% (0.26 10.00 0.02 0.02) = 0.181% QG2 VAL 122 - HB VAL 99 3.571% * 0.0598% (0.87 1.00 0.02 0.02) = 0.060% QG2 VAL 122 - HG2 MET 126 3.571% * 0.0556% (0.81 1.00 0.02 0.02) = 0.056% QG2 VAL 122 - HG2 GLN 102 3.571% * 0.0539% (0.78 1.00 0.02 0.02) = 0.054% QG2 VAL 122 - HG3 MET 126 3.571% * 0.0243% (0.35 1.00 0.02 0.02) = 0.024% QG2 VAL 122 - HG3 MET 97 3.571% * 0.0181% (0.26 1.00 0.02 0.02) = 0.018% QD1 ILE 101 - HB VAL 99 3.571% * 0.0106% (0.15 1.00 0.02 2.72) = 0.011% QG2 ILE 48 - HB VAL 99 3.571% * 0.0099% (0.14 1.00 0.02 0.20) = 0.010% QD1 ILE 101 - HG2 MET 126 3.571% * 0.0098% (0.14 1.00 0.02 0.02) = 0.010% QD1 ILE 101 - HG2 GLN 102 3.571% * 0.0095% (0.14 1.00 0.02 25.73) = 0.010% QG2 ILE 48 - HG2 MET 126 3.571% * 0.0092% (0.13 1.00 0.02 0.02) = 0.009% QD1 LEU 23 - HG3 GLN 102 3.571% * 0.0089% (0.13 1.00 0.02 0.99) = 0.009% QG2 VAL 122 - HG3 GLN 102 3.571% * 0.0089% (0.13 1.00 0.02 0.02) = 0.009% QG2 ILE 48 - HG2 GLN 102 3.571% * 0.0089% (0.13 1.00 0.02 0.02) = 0.009% QD1 LEU 23 - HB3 LYS+ 78 3.571% * 0.0073% (0.11 1.00 0.02 0.02) = 0.007% QG2 VAL 122 - HB3 LYS+ 78 3.571% * 0.0073% (0.11 1.00 0.02 0.02) = 0.007% QD1 ILE 101 - HG3 MET 126 3.571% * 0.0043% (0.06 1.00 0.02 0.02) = 0.004% QG2 ILE 48 - HG3 MET 126 3.571% * 0.0040% (0.06 1.00 0.02 0.02) = 0.004% QD1 ILE 101 - HG3 MET 97 3.571% * 0.0032% (0.05 1.00 0.02 0.02) = 0.003% QG2 ILE 48 - HG3 MET 97 3.571% * 0.0030% (0.04 1.00 0.02 0.02) = 0.003% QD1 ILE 101 - HG3 GLN 102 3.571% * 0.0016% (0.02 1.00 0.02 25.73) = 0.002% QG2 ILE 48 - HG3 GLN 102 3.571% * 0.0015% (0.02 1.00 0.02 0.02) = 0.001% QD1 ILE 101 - HB3 LYS+ 78 3.571% * 0.0013% (0.02 1.00 0.02 0.02) = 0.001% QG2 ILE 48 - HB3 LYS+ 78 3.571% * 0.0012% (0.02 1.00 0.02 0.02) = 0.001% Peak 1937 (8.93, 2.23, 33.85 ppm): 30 chemical-shift based assignments, quality = 0.268, support = 2.68, residual support = 13.2: HN LEU 17 - HG3 GLN 16 3.333% * 25.9636% (0.23 3.96 18.76) = 25.964% kept * HN GLN 102 - HG3 GLN 102 3.333% * 23.9127% (0.21 3.83 27.62) = 23.913% kept HN THR 96 - HG3 MET 97 3.333% * 19.8104% (0.31 2.20 4.81) = 19.810% kept HN ARG+ 22 - HG3 GLN 102 3.333% * 11.2930% (0.70 0.55 0.11) = 11.293% kept HN MET 97 - HG3 MET 97 3.333% * 5.7343% (0.07 2.91 12.71) = 5.734% kept HN MET 97 - HG3 GLN 16 3.333% * 4.7381% (0.13 1.27 0.96) = 4.738% kept HN ARG+ 22 - HG3 MET 97 3.333% * 2.7206% (0.28 0.33 0.98) = 2.721% kept HN MET 97 - HG3 GLN 102 3.333% * 0.9516% (0.17 0.19 0.02) = 0.952% HN ARG+ 22 - HG2 MET 126 3.333% * 0.5525% (0.21 0.09 0.02) = 0.553% HN PHE 21 - HG3 GLN 102 3.333% * 0.5033% (0.86 0.02 0.02) = 0.503% HN THR 96 - HG3 GLN 102 3.333% * 0.4493% (0.77 0.02 0.02) = 0.449% HN PHE 21 - HG3 MET 126 3.333% * 0.3835% (0.66 0.02 0.02) = 0.383% HN PHE 21 - HG3 GLN 16 3.333% * 0.3814% (0.66 0.02 0.02) = 0.381% HN THR 96 - HG3 MET 126 3.333% * 0.3424% (0.59 0.02 0.02) = 0.342% HN THR 96 - HG3 GLN 16 3.333% * 0.3406% (0.59 0.02 0.02) = 0.341% HN ARG+ 22 - HG3 MET 126 3.333% * 0.3105% (0.53 0.02 0.02) = 0.311% HN ARG+ 22 - HG3 GLN 16 3.333% * 0.3088% (0.53 0.02 0.02) = 0.309% HN PHE 21 - HG3 MET 97 3.333% * 0.2017% (0.35 0.02 1.81) = 0.202% HN LEU 17 - HG3 GLN 102 3.333% * 0.1732% (0.30 0.02 0.02) = 0.173% HN PHE 21 - HG2 MET 126 3.333% * 0.1538% (0.26 0.02 0.02) = 0.154% HN THR 96 - HG2 MET 126 3.333% * 0.1373% (0.24 0.02 0.02) = 0.137% HN LEU 17 - HG3 MET 126 3.333% * 0.1320% (0.23 0.02 0.02) = 0.132% HN GLN 102 - HG3 MET 126 3.333% * 0.0952% (0.16 0.02 0.02) = 0.095% HN GLN 102 - HG3 GLN 16 3.333% * 0.0947% (0.16 0.02 1.71) = 0.095% HN MET 97 - HG3 MET 126 3.333% * 0.0749% (0.13 0.02 0.02) = 0.075% HN LEU 17 - HG3 MET 97 3.333% * 0.0694% (0.12 0.02 0.94) = 0.069% HN LEU 17 - HG2 MET 126 3.333% * 0.0529% (0.09 0.02 0.02) = 0.053% HN GLN 102 - HG3 MET 97 3.333% * 0.0501% (0.09 0.02 0.02) = 0.050% HN GLN 102 - HG2 MET 126 3.333% * 0.0382% (0.07 0.02 0.02) = 0.038% HN MET 97 - HG2 MET 126 3.333% * 0.0300% (0.05 0.02 0.02) = 0.030% Peak 1938 (7.59, 2.01, 33.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HN VAL 65 - HB VAL 65 Peak unassigned. Peak 1939 (4.71, 2.24, 33.89 ppm): 28 chemical-shift based assignments, quality = 0.762, support = 4.35, residual support = 62.7: * O HA GLN 16 - HG3 GLN 16 3.571% * 98.4558% (0.77 10.0 4.42 63.73) = 98.456% kept HA THR 61 - HG3 GLN 16 3.571% * 0.1057% (0.83 1.0 0.02 0.02) = 0.106% HA VAL 99 - HG3 GLN 16 3.571% * 0.1057% (0.83 1.0 0.02 0.02) = 0.106% HA THR 61 - HG3 GLN 102 3.571% * 0.0986% (0.78 1.0 0.02 0.64) = 0.099% HA VAL 99 - HG3 GLN 102 3.571% * 0.0986% (0.78 1.0 0.02 0.02) = 0.099% HA THR 39 - HG3 GLN 16 3.571% * 0.0985% (0.77 1.0 0.02 0.02) = 0.098% HA2 GLY 30 - HG3 GLN 16 3.571% * 0.0925% (0.73 1.0 0.02 0.02) = 0.093% HA THR 39 - HG3 GLN 102 3.571% * 0.0918% (0.72 1.0 0.02 0.02) = 0.092% HA GLN 16 - HG3 GLN 102 3.571% * 0.0918% (0.72 1.0 0.02 1.71) = 0.092% HA2 GLY 30 - HG3 GLN 102 3.571% * 0.0863% (0.68 1.0 0.02 0.02) = 0.086% HA LYS+ 20 - HG3 GLN 16 3.571% * 0.0604% (0.47 1.0 0.02 0.02) = 0.060% HA LYS+ 20 - HG3 GLN 102 3.571% * 0.0563% (0.44 1.0 0.02 0.02) = 0.056% HA THR 61 - HG3 MET 126 3.571% * 0.0563% (0.44 1.0 0.02 0.02) = 0.056% HA VAL 99 - HG3 MET 126 3.571% * 0.0563% (0.44 1.0 0.02 0.02) = 0.056% HA THR 39 - HG3 MET 126 3.571% * 0.0524% (0.41 1.0 0.02 0.02) = 0.052% HA GLN 16 - HG3 MET 126 3.571% * 0.0524% (0.41 1.0 0.02 0.02) = 0.052% HA2 GLY 30 - HG3 MET 126 3.571% * 0.0493% (0.39 1.0 0.02 0.02) = 0.049% HA THR 61 - HG3 MET 97 3.571% * 0.0388% (0.31 1.0 0.02 0.02) = 0.039% HA VAL 99 - HG3 MET 97 3.571% * 0.0388% (0.31 1.0 0.02 1.69) = 0.039% HA THR 39 - HG3 MET 97 3.571% * 0.0362% (0.28 1.0 0.02 0.02) = 0.036% HA GLN 16 - HG3 MET 97 3.571% * 0.0362% (0.28 1.0 0.02 0.96) = 0.036% HA2 GLY 30 - HG3 MET 97 3.571% * 0.0340% (0.27 1.0 0.02 0.02) = 0.034% HA LYS+ 20 - HG3 MET 126 3.571% * 0.0321% (0.25 1.0 0.02 0.02) = 0.032% HA LYS+ 20 - HG3 MET 97 3.571% * 0.0222% (0.17 1.0 0.02 7.95) = 0.022% HA ASN 89 - HG3 GLN 16 3.571% * 0.0187% (0.15 1.0 0.02 0.02) = 0.019% HA ASN 89 - HG3 GLN 102 3.571% * 0.0174% (0.14 1.0 0.02 0.02) = 0.017% HA ASN 89 - HG3 MET 126 3.571% * 0.0099% (0.08 1.0 0.02 0.02) = 0.010% HA ASN 89 - HG3 MET 97 3.571% * 0.0069% (0.05 1.0 0.02 0.02) = 0.007% Peak 1940 (4.69, 2.11, 33.83 ppm): 8 chemical-shift based assignments, quality = 0.335, support = 3.91, residual support = 63.5: O HA GLN 16 - HG2 GLN 16 12.500% * 99.6181% (0.34 10.0 3.93 63.73) = 99.618% kept HA VAL 99 - HG2 GLN 16 12.500% * 0.0834% (0.28 1.0 0.02 0.02) = 0.083% HA ASN 89 - HG2 GLN 16 12.500% * 0.0743% (0.25 1.0 0.02 0.02) = 0.074% HA THR 61 - HG2 GLN 16 12.500% * 0.0650% (0.22 1.0 0.02 0.02) = 0.065% HA THR 39 - HG2 GLN 16 12.500% * 0.0472% (0.16 1.0 0.02 0.02) = 0.047% HA TYR 83 - HG2 GLN 16 12.500% * 0.0472% (0.16 1.0 0.02 0.02) = 0.047% HA2 GLY 30 - HG2 GLN 16 12.500% * 0.0392% (0.13 1.0 0.02 0.02) = 0.039% HA PRO 35 - HG2 GLN 16 12.500% * 0.0256% (0.09 1.0 0.02 0.02) = 0.026% Peak 1944 (2.33, 2.33, 33.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1945 (2.24, 2.24, 33.79 ppm): 4 diagonal assignments: * HG3 GLN 16 - HG3 GLN 16 (0.99) kept HG3 GLN 102 - HG3 GLN 102 (0.38) kept HG3 MET 126 - HG3 MET 126 (0.07) kept HG3 MET 97 - HG3 MET 97 (0.04) kept Peak 1946 (2.21, 2.23, 33.83 ppm): 4 diagonal assignments: * HG3 MET 126 - HG3 MET 126 (0.66) kept HG3 GLN 102 - HG3 GLN 102 (0.57) kept HG3 MET 97 - HG3 MET 97 (0.30) kept HG2 MET 126 - HG2 MET 126 (0.18) kept Peak 1949 (1.91, 2.23, 33.79 ppm): 60 chemical-shift based assignments, quality = 0.583, support = 2.67, residual support = 32.5: * O T HB3 GLN 102 - HG3 GLN 102 1.667% * 59.9201% (0.79 10.0 10.00 3.00 27.62) = 59.920% kept O HB3 GLN 16 - HG3 GLN 16 1.667% * 24.9623% (0.33 10.0 1.00 3.25 63.73) = 24.962% kept T HG2 GLU- 18 - HG3 GLN 102 1.667% * 8.2999% (0.31 1.0 10.00 0.71 0.77) = 8.300% kept T HD3 LYS+ 63 - HG3 GLN 16 1.667% * 0.6636% (0.88 1.0 10.00 0.02 0.02) = 0.664% T HB3 GLN 102 - HG3 GLN 16 1.667% * 0.6419% (0.85 1.0 10.00 0.02 1.71) = 0.642% T HD3 LYS+ 63 - HG3 GLN 102 1.667% * 0.6195% (0.82 1.0 10.00 0.02 0.02) = 0.620% T HB3 ARG+ 53 - HG3 GLN 16 1.667% * 0.5083% (0.67 1.0 10.00 0.02 0.02) = 0.508% T HB3 ARG+ 53 - HG3 GLN 102 1.667% * 0.4745% (0.63 1.0 10.00 0.02 0.02) = 0.475% T HD3 LYS+ 63 - HG3 MET 126 1.667% * 0.3995% (0.53 1.0 10.00 0.02 0.02) = 0.399% T HB3 GLN 102 - HG3 MET 126 1.667% * 0.3864% (0.51 1.0 10.00 0.02 0.02) = 0.386% T HB3 ARG+ 53 - HG3 MET 126 1.667% * 0.3060% (0.40 1.0 10.00 0.02 0.02) = 0.306% T HG2 GLU- 18 - HG3 GLN 16 1.667% * 0.2496% (0.33 1.0 10.00 0.02 1.50) = 0.250% T HB2 GLU- 10 - HG3 GLN 16 1.667% * 0.2269% (0.30 1.0 10.00 0.02 0.02) = 0.227% T HB2 GLU- 10 - HG3 GLN 102 1.667% * 0.2118% (0.28 1.0 10.00 0.02 0.02) = 0.212% T HD3 LYS+ 63 - HG3 MET 97 1.667% * 0.1680% (0.22 1.0 10.00 0.02 0.02) = 0.168% T HB3 GLN 102 - HG3 MET 97 1.667% * 0.1625% (0.22 1.0 10.00 0.02 0.02) = 0.163% T HG2 GLU- 18 - HG3 MET 126 1.667% * 0.1503% (0.20 1.0 10.00 0.02 0.02) = 0.150% T HB2 GLU- 10 - HG3 MET 126 1.667% * 0.1366% (0.18 1.0 10.00 0.02 0.02) = 0.137% T HD3 LYS+ 63 - HG2 MET 126 1.667% * 0.1351% (0.18 1.0 10.00 0.02 0.02) = 0.135% T HB3 GLN 102 - HG2 MET 126 1.667% * 0.1307% (0.17 1.0 10.00 0.02 0.02) = 0.131% T HB3 ARG+ 53 - HG3 MET 97 1.667% * 0.1287% (0.17 1.0 10.00 0.02 0.02) = 0.129% T HB3 ARG+ 53 - HG2 MET 126 1.667% * 0.1035% (0.14 1.0 10.00 0.02 0.02) = 0.104% HB2 PRO 112 - HG3 GLN 16 1.667% * 0.0633% (0.84 1.0 1.00 0.02 0.02) = 0.063% T HG2 GLU- 18 - HG3 MET 97 1.667% * 0.0632% (0.08 1.0 10.00 0.02 0.02) = 0.063% HB2 PRO 112 - HG3 GLN 102 1.667% * 0.0591% (0.78 1.0 1.00 0.02 0.02) = 0.059% HB2 LEU 23 - HG3 GLN 16 1.667% * 0.0577% (0.76 1.0 1.00 0.02 0.02) = 0.058% T HB2 GLU- 10 - HG3 MET 97 1.667% * 0.0574% (0.08 1.0 10.00 0.02 0.02) = 0.057% HB2 LEU 23 - HG3 GLN 102 1.667% * 0.0539% (0.71 1.0 1.00 0.02 0.99) = 0.054% T HG2 GLU- 18 - HG2 MET 126 1.667% * 0.0508% (0.07 1.0 10.00 0.02 0.02) = 0.051% T HB2 GLU- 10 - HG2 MET 126 1.667% * 0.0462% (0.06 1.0 10.00 0.02 0.02) = 0.046% HB ILE 29 - HG3 GLN 16 1.667% * 0.0457% (0.60 1.0 1.00 0.02 0.02) = 0.046% HB ILE 29 - HG3 GLN 102 1.667% * 0.0426% (0.56 1.0 1.00 0.02 0.02) = 0.043% HB3 CYS 123 - HG3 GLN 16 1.667% * 0.0403% (0.53 1.0 1.00 0.02 0.02) = 0.040% HB2 PRO 112 - HG3 MET 126 1.667% * 0.0381% (0.50 1.0 1.00 0.02 0.02) = 0.038% HB3 CYS 123 - HG3 GLN 102 1.667% * 0.0377% (0.50 1.0 1.00 0.02 0.02) = 0.038% HB2 LEU 23 - HG3 MET 126 1.667% * 0.0347% (0.46 1.0 1.00 0.02 0.02) = 0.035% HB ILE 29 - HG3 MET 126 1.667% * 0.0275% (0.36 1.0 1.00 0.02 0.02) = 0.028% HB3 CYS 123 - HG3 MET 126 1.667% * 0.0243% (0.32 1.0 1.00 0.02 0.02) = 0.024% HB3 GLN 16 - HG3 GLN 102 1.667% * 0.0233% (0.31 1.0 1.00 0.02 1.71) = 0.023% HB2 PRO 116 - HG3 GLN 16 1.667% * 0.0227% (0.30 1.0 1.00 0.02 0.02) = 0.023% HB2 PRO 116 - HG3 GLN 102 1.667% * 0.0212% (0.28 1.0 1.00 0.02 0.02) = 0.021% HG2 PRO 112 - HG3 GLN 16 1.667% * 0.0199% (0.26 1.0 1.00 0.02 0.02) = 0.020% HG2 PRO 112 - HG3 GLN 102 1.667% * 0.0186% (0.25 1.0 1.00 0.02 0.02) = 0.019% HB2 PRO 112 - HG3 MET 97 1.667% * 0.0160% (0.21 1.0 1.00 0.02 0.02) = 0.016% HB3 GLN 16 - HG3 MET 126 1.667% * 0.0150% (0.20 1.0 1.00 0.02 0.02) = 0.015% HB2 LEU 23 - HG3 MET 97 1.667% * 0.0146% (0.19 1.0 1.00 0.02 0.02) = 0.015% HB2 PRO 116 - HG3 MET 126 1.667% * 0.0137% (0.18 1.0 1.00 0.02 0.02) = 0.014% HB2 PRO 112 - HG2 MET 126 1.667% * 0.0129% (0.17 1.0 1.00 0.02 0.02) = 0.013% HG2 PRO 112 - HG3 MET 126 1.667% * 0.0120% (0.16 1.0 1.00 0.02 0.02) = 0.012% HB2 LEU 23 - HG2 MET 126 1.667% * 0.0117% (0.16 1.0 1.00 0.02 0.02) = 0.012% HB ILE 29 - HG3 MET 97 1.667% * 0.0116% (0.15 1.0 1.00 0.02 0.02) = 0.012% HB3 CYS 123 - HG3 MET 97 1.667% * 0.0102% (0.14 1.0 1.00 0.02 0.02) = 0.010% HB ILE 29 - HG2 MET 126 1.667% * 0.0093% (0.12 1.0 1.00 0.02 0.02) = 0.009% HB3 CYS 123 - HG2 MET 126 1.667% * 0.0082% (0.11 1.0 1.00 0.02 0.02) = 0.008% HB3 GLN 16 - HG3 MET 97 1.667% * 0.0063% (0.08 1.0 1.00 0.02 0.96) = 0.006% HB2 PRO 116 - HG3 MET 97 1.667% * 0.0057% (0.08 1.0 1.00 0.02 0.02) = 0.006% HB3 GLN 16 - HG2 MET 126 1.667% * 0.0051% (0.07 1.0 1.00 0.02 0.02) = 0.005% HG2 PRO 112 - HG3 MET 97 1.667% * 0.0050% (0.07 1.0 1.00 0.02 0.02) = 0.005% HB2 PRO 116 - HG2 MET 126 1.667% * 0.0046% (0.06 1.0 1.00 0.02 0.02) = 0.005% HG2 PRO 112 - HG2 MET 126 1.667% * 0.0041% (0.05 1.0 1.00 0.02 0.02) = 0.004% Peak 1951 (1.85, 0.68, 33.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1952 (0.73, 2.01, 33.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: QG2 VAL 65 - HB VAL 65 Peak unassigned. Peak 1954 (3.70, 1.67, 33.37 ppm): 3 chemical-shift based assignments, quality = 0.718, support = 3.26, residual support = 40.5: * O T HA LYS+ 81 - HB3 LYS+ 81 33.333% * 78.0206% (0.75 10.0 10.00 3.99 51.84) = 78.021% kept T HB3 SER 69 - HB3 LYS+ 81 33.333% * 21.9000% (0.61 1.0 10.00 0.69 0.43) = 21.900% kept HB2 TRP 51 - HB3 LYS+ 81 33.333% * 0.0794% (0.76 1.0 1.00 0.02 0.02) = 0.079% Peak 1958 (8.35, 1.80, 33.11 ppm): 7 chemical-shift based assignments, quality = 0.735, support = 2.41, residual support = 12.6: * O HN LYS+ 108 - HB3 LYS+ 108 14.286% * 89.3101% (0.72 10.0 2.47 13.55) = 89.310% kept HN GLU- 109 - HB3 LYS+ 108 14.286% * 10.4182% (0.86 1.0 1.95 4.63) = 10.418% kept HN ALA 103 - HB3 LYS+ 108 14.286% * 0.1060% (0.86 1.0 0.02 0.02) = 0.106% HN GLU- 50 - HB3 LYS+ 108 14.286% * 0.0692% (0.56 1.0 0.02 0.02) = 0.069% HN GLY 71 - HB3 LYS+ 108 14.286% * 0.0563% (0.45 1.0 0.02 0.02) = 0.056% HN GLY 114 - HB3 LYS+ 108 14.286% * 0.0238% (0.19 1.0 0.02 0.02) = 0.024% HN ASN 76 - HB3 LYS+ 108 14.286% * 0.0165% (0.13 1.0 0.02 0.02) = 0.016% Peak 1959 (8.33, 1.71, 33.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1960 (8.27, 1.69, 33.19 ppm): 6 chemical-shift based assignments, quality = 0.33, support = 1.11, residual support = 1.42: HN THR 106 - HB3 LYS+ 81 16.667% * 66.0397% (0.35 1.47 2.05) = 66.040% kept HN GLU- 12 - HB3 LYS+ 81 16.667% * 11.8101% (0.10 0.89 0.24) = 11.810% kept HN ASN 89 - HB3 LYS+ 81 16.667% * 8.4352% (0.61 0.11 0.02) = 8.435% kept HN ALA 91 - HB3 LYS+ 81 16.667% * 5.4144% (0.12 0.36 0.52) = 5.414% kept HN ASP- 115 - HB3 LYS+ 81 16.667% * 4.3819% (0.40 0.08 0.02) = 4.382% kept HN ASP- 28 - HB3 LYS+ 81 16.667% * 3.9187% (0.37 0.08 0.02) = 3.919% kept Peak 1961 (8.24, 2.03, 33.03 ppm): 22 chemical-shift based assignments, quality = 0.495, support = 0.194, residual support = 0.239: HN GLU- 12 - HB3 MET 118 4.545% * 32.3886% (0.47 0.32 0.65) = 32.389% kept HN GLU- 45 - HB3 LYS+ 110 4.545% * 16.4348% (0.18 0.42 0.11) = 16.435% kept HN SER 49 - HB3 LYS+ 110 4.545% * 16.3347% (0.79 0.10 0.02) = 16.335% kept HN GLY 58 - HB3 LYS+ 110 4.545% * 3.5442% (0.83 0.02 0.02) = 3.544% kept HN LYS+ 81 - HB3 LYS+ 110 4.545% * 3.5206% (0.82 0.02 0.02) = 3.521% kept HN LEU 67 - HB3 LYS+ 110 4.545% * 3.5206% (0.82 0.02 0.02) = 3.521% kept HN GLU- 12 - HB3 LYS+ 110 4.545% * 3.3601% (0.79 0.02 0.02) = 3.360% kept HN GLY 58 - HB3 MET 118 4.545% * 2.1348% (0.50 0.02 0.02) = 2.135% kept HN LYS+ 81 - HB3 MET 118 4.545% * 2.1206% (0.50 0.02 0.02) = 2.121% kept HN LEU 67 - HB3 MET 118 4.545% * 2.1206% (0.50 0.02 0.02) = 2.121% kept HN SER 49 - HB3 MET 118 4.545% * 2.0239% (0.47 0.02 0.02) = 2.024% kept HN THR 106 - HB3 LYS+ 110 4.545% * 1.8688% (0.44 0.02 0.02) = 1.869% kept HN VAL 94 - HB3 LYS+ 110 4.545% * 1.5925% (0.37 0.02 0.10) = 1.592% kept HN ASP- 115 - HB3 LYS+ 110 4.545% * 1.5925% (0.37 0.02 0.02) = 1.592% kept HN VAL 105 - HB3 LYS+ 110 4.545% * 1.4603% (0.34 0.02 0.02) = 1.460% kept HN THR 106 - HB3 MET 118 4.545% * 1.1256% (0.26 0.02 0.02) = 1.126% kept HN ALA 11 - HB3 LYS+ 110 4.545% * 0.9876% (0.23 0.02 0.02) = 0.988% HN ASP- 115 - HB3 MET 118 4.545% * 0.9592% (0.22 0.02 0.02) = 0.959% HN VAL 94 - HB3 MET 118 4.545% * 0.9592% (0.22 0.02 0.02) = 0.959% HN VAL 105 - HB3 MET 118 4.545% * 0.8796% (0.21 0.02 0.02) = 0.880% HN ALA 11 - HB3 MET 118 4.545% * 0.5949% (0.14 0.02 0.02) = 0.595% HN GLU- 45 - HB3 MET 118 4.545% * 0.4763% (0.11 0.02 0.02) = 0.476% Not enough support, support cutoff is 0.27 Peak unassigned. Peak 1963 (4.26, 1.79, 33.17 ppm): 22 chemical-shift based assignments, quality = 0.402, support = 2.22, residual support = 11.5: * O HA LYS+ 108 - HB3 LYS+ 108 4.545% * 75.5505% (0.29 10.0 2.39 13.55) = 75.551% kept HA GLU- 107 - HB3 LYS+ 108 4.545% * 21.3184% (0.85 1.0 1.94 5.96) = 21.318% kept HA LEU 90 - HB3 LYS+ 108 4.545% * 0.4353% (0.39 1.0 0.09 0.02) = 0.435% HA GLU- 75 - HB3 LYS+ 108 4.545% * 0.2442% (0.94 1.0 0.02 0.02) = 0.244% HA GLU- 64 - HB3 LYS+ 108 4.545% * 0.2426% (0.94 1.0 0.02 0.02) = 0.243% HA GLU- 56 - HB3 LYS+ 108 4.545% * 0.2260% (0.87 1.0 0.02 0.02) = 0.226% HA ASN 119 - HB3 LYS+ 108 4.545% * 0.2195% (0.85 1.0 0.02 0.02) = 0.220% HA ASN 76 - HB3 LYS+ 108 4.545% * 0.2123% (0.82 1.0 0.02 0.02) = 0.212% HA ALA 11 - HB3 LYS+ 108 4.545% * 0.1960% (0.76 1.0 0.02 0.02) = 0.196% HA ARG+ 84 - HB3 LYS+ 108 4.545% * 0.1777% (0.69 1.0 0.02 0.02) = 0.178% HA SER 85 - HB3 LYS+ 108 4.545% * 0.1777% (0.69 1.0 0.02 0.02) = 0.178% HA PRO 52 - HB3 LYS+ 108 4.545% * 0.1777% (0.69 1.0 0.02 0.02) = 0.178% HA VAL 94 - HB3 LYS+ 108 4.545% * 0.1681% (0.65 1.0 0.02 0.02) = 0.168% HA PRO 59 - HB3 LYS+ 108 4.545% * 0.1386% (0.54 1.0 0.02 0.17) = 0.139% HA VAL 122 - HB3 LYS+ 108 4.545% * 0.1191% (0.46 1.0 0.02 0.02) = 0.119% HA GLU- 10 - HB3 LYS+ 108 4.545% * 0.0756% (0.29 1.0 0.02 0.02) = 0.076% HA GLU- 54 - HB3 LYS+ 108 4.545% * 0.0756% (0.29 1.0 0.02 0.02) = 0.076% HB3 CYS 121 - HB3 LYS+ 108 4.545% * 0.0610% (0.24 1.0 0.02 0.02) = 0.061% HB3 SER 49 - HB3 LYS+ 108 4.545% * 0.0603% (0.23 1.0 0.02 0.02) = 0.060% HA THR 106 - HB3 LYS+ 108 4.545% * 0.0429% (0.17 1.0 0.02 0.02) = 0.043% HA ALA 42 - HB3 LYS+ 108 4.545% * 0.0429% (0.17 1.0 0.02 0.02) = 0.043% HA CYS 121 - HB3 LYS+ 108 4.545% * 0.0378% (0.15 1.0 0.02 0.02) = 0.038% Peak 1965 (4.12, 2.03, 33.02 ppm): 18 chemical-shift based assignments, quality = 0.625, support = 1.75, residual support = 13.1: * O T HA LYS+ 110 - HB3 LYS+ 110 5.556% * 82.6324% (0.67 10.0 10.00 2.00 15.91) = 82.632% kept T HB3 SER 49 - HB3 MET 118 5.556% * 15.6640% (0.40 1.0 10.00 0.64 0.02) = 15.664% kept T HB3 SER 49 - HB3 LYS+ 110 5.556% * 1.0150% (0.82 1.0 10.00 0.02 0.02) = 1.015% kept HA ARG+ 53 - HB3 LYS+ 110 5.556% * 0.1043% (0.85 1.0 1.00 0.02 0.02) = 0.104% T HA VAL 87 - HB3 MET 118 5.556% * 0.0807% (0.07 1.0 10.00 0.02 0.02) = 0.081% HA2 GLY 71 - HB3 LYS+ 110 5.556% * 0.0743% (0.60 1.0 1.00 0.02 0.02) = 0.074% HA THR 46 - HB3 LYS+ 110 5.556% * 0.0743% (0.60 1.0 1.00 0.02 0.02) = 0.074% HA ARG+ 53 - HB3 MET 118 5.556% * 0.0504% (0.41 1.0 1.00 0.02 0.02) = 0.050% HB2 SER 88 - HB3 LYS+ 110 5.556% * 0.0485% (0.39 1.0 1.00 0.02 0.02) = 0.048% HA LYS+ 110 - HB3 MET 118 5.556% * 0.0399% (0.32 1.0 1.00 0.02 0.02) = 0.040% HA ALA 70 - HB3 LYS+ 110 5.556% * 0.0369% (0.30 1.0 1.00 0.02 0.02) = 0.037% HA THR 46 - HB3 MET 118 5.556% * 0.0359% (0.29 1.0 1.00 0.02 0.02) = 0.036% HA2 GLY 71 - HB3 MET 118 5.556% * 0.0359% (0.29 1.0 1.00 0.02 0.02) = 0.036% HA LYS+ 63 - HB3 LYS+ 110 5.556% * 0.0334% (0.27 1.0 1.00 0.02 0.02) = 0.033% HB2 SER 88 - HB3 MET 118 5.556% * 0.0234% (0.19 1.0 1.00 0.02 0.02) = 0.023% HA ALA 70 - HB3 MET 118 5.556% * 0.0178% (0.14 1.0 1.00 0.02 0.02) = 0.018% HA VAL 87 - HB3 LYS+ 110 5.556% * 0.0167% (0.14 1.0 1.00 0.02 0.02) = 0.017% HA LYS+ 63 - HB3 MET 118 5.556% * 0.0161% (0.13 1.0 1.00 0.02 0.02) = 0.016% Peak 1972 (2.10, 2.09, 32.97 ppm): 5 diagonal assignments: * HB2 MET 118 - HB2 MET 118 (0.98) kept HB2 LYS+ 110 - HB2 LYS+ 110 (0.80) kept HB VAL 125 - HB VAL 125 (0.27) kept HB VAL 87 - HB VAL 87 (0.21) kept HB VAL 105 - HB VAL 105 (0.05) kept Peak 1974 (2.04, 2.03, 33.01 ppm): 1 diagonal assignment: * HB3 LYS+ 110 - HB3 LYS+ 110 (0.80) kept Peak 1988 (1.78, 1.79, 33.13 ppm): 1 diagonal assignment: * HB3 LYS+ 108 - HB3 LYS+ 108 (0.52) kept Peak 1992 (1.63, 2.03, 32.94 ppm): 20 chemical-shift based assignments, quality = 0.605, support = 1.75, residual support = 7.72: T HG12 ILE 101 - HB3 LYS+ 110 5.000% * 50.0119% (0.89 1.0 10.00 0.73 0.77) = 50.012% kept * O HG2 LYS+ 110 - HB3 LYS+ 110 5.000% * 46.0812% (0.30 10.0 1.00 3.00 15.91) = 46.081% kept HG LEU 43 - HB3 LYS+ 110 5.000% * 2.4265% (0.87 1.0 1.00 0.36 0.11) = 2.427% kept T HG3 ARG+ 84 - HB3 LYS+ 110 5.000% * 0.3324% (0.22 1.0 10.00 0.02 0.02) = 0.332% HG LEU 23 - HB3 LYS+ 110 5.000% * 0.1441% (0.93 1.0 1.00 0.02 0.02) = 0.144% HB ILE 68 - HB3 LYS+ 110 5.000% * 0.1339% (0.87 1.0 1.00 0.02 0.02) = 0.134% HB VAL 122 - HB3 LYS+ 110 5.000% * 0.1339% (0.87 1.0 1.00 0.02 0.02) = 0.134% HG2 ARG+ 22 - HB3 LYS+ 110 5.000% * 0.1084% (0.70 1.0 1.00 0.02 0.02) = 0.108% HG3 LYS+ 78 - HB3 LYS+ 110 5.000% * 0.0966% (0.63 1.0 1.00 0.02 0.02) = 0.097% HG LEU 23 - HB3 MET 118 5.000% * 0.0724% (0.47 1.0 1.00 0.02 0.02) = 0.072% HG12 ILE 101 - HB3 MET 118 5.000% * 0.0693% (0.45 1.0 1.00 0.02 0.02) = 0.069% HB VAL 122 - HB3 MET 118 5.000% * 0.0673% (0.44 1.0 1.00 0.02 0.02) = 0.067% HB ILE 68 - HB3 MET 118 5.000% * 0.0673% (0.44 1.0 1.00 0.02 0.02) = 0.067% HG LEU 43 - HB3 MET 118 5.000% * 0.0673% (0.44 1.0 1.00 0.02 0.02) = 0.067% HG2 ARG+ 22 - HB3 MET 118 5.000% * 0.0545% (0.35 1.0 1.00 0.02 0.02) = 0.055% HG3 LYS+ 78 - HB3 MET 118 5.000% * 0.0486% (0.31 1.0 1.00 0.02 0.02) = 0.049% HB3 PRO 52 - HB3 LYS+ 110 5.000% * 0.0295% (0.19 1.0 1.00 0.02 0.02) = 0.030% HG2 LYS+ 110 - HB3 MET 118 5.000% * 0.0232% (0.15 1.0 1.00 0.02 0.02) = 0.023% HG3 ARG+ 84 - HB3 MET 118 5.000% * 0.0167% (0.11 1.0 1.00 0.02 0.02) = 0.017% HB3 PRO 52 - HB3 MET 118 5.000% * 0.0149% (0.10 1.0 1.00 0.02 0.02) = 0.015% Peak 1997 (0.92, 2.03, 32.99 ppm): 26 chemical-shift based assignments, quality = 0.811, support = 1.9, residual support = 15.6: * O HG3 LYS+ 110 - HB3 LYS+ 110 3.846% * 97.7277% (0.83 10.0 1.93 15.91) = 97.728% kept HG3 LYS+ 117 - HB3 MET 118 3.846% * 1.1617% (0.30 1.0 0.63 0.83) = 1.162% kept QG2 VAL 80 - HB3 LYS+ 110 3.846% * 0.1103% (0.90 1.0 0.02 0.02) = 0.110% HG12 ILE 68 - HB3 LYS+ 110 3.846% * 0.0933% (0.76 1.0 0.02 0.02) = 0.093% HG3 LYS+ 117 - HB3 LYS+ 110 3.846% * 0.0891% (0.73 1.0 0.02 0.02) = 0.089% QD1 LEU 67 - HB3 LYS+ 110 3.846% * 0.0801% (0.65 1.0 0.02 0.02) = 0.080% QG1 VAL 47 - HB3 LYS+ 110 3.846% * 0.0707% (0.58 1.0 0.02 0.02) = 0.071% QG2 VAL 105 - HB3 LYS+ 110 3.846% * 0.0613% (0.50 1.0 0.02 0.02) = 0.061% QG2 VAL 40 - HB3 LYS+ 110 3.846% * 0.0613% (0.50 1.0 0.02 0.02) = 0.061% QG2 VAL 87 - HB3 LYS+ 110 3.846% * 0.0613% (0.50 1.0 0.02 0.02) = 0.061% QD1 LEU 17 - HB3 LYS+ 110 3.846% * 0.0567% (0.46 1.0 0.02 0.02) = 0.057% QG1 VAL 105 - HB3 LYS+ 110 3.846% * 0.0523% (0.43 1.0 0.02 0.02) = 0.052% QG2 VAL 80 - HB3 MET 118 3.846% * 0.0455% (0.37 1.0 0.02 0.02) = 0.045% HG3 LYS+ 110 - HB3 MET 118 3.846% * 0.0417% (0.34 1.0 0.02 0.02) = 0.042% HG12 ILE 68 - HB3 MET 118 3.846% * 0.0385% (0.31 1.0 0.02 0.02) = 0.038% QD1 LEU 67 - HB3 MET 118 3.846% * 0.0330% (0.27 1.0 0.02 0.02) = 0.033% QG1 VAL 47 - HB3 MET 118 3.846% * 0.0292% (0.24 1.0 0.02 0.02) = 0.029% QG1 VAL 80 - HB3 LYS+ 110 3.846% * 0.0260% (0.21 1.0 0.02 0.02) = 0.026% QG2 VAL 105 - HB3 MET 118 3.846% * 0.0253% (0.21 1.0 0.02 0.02) = 0.025% QG2 VAL 40 - HB3 MET 118 3.846% * 0.0253% (0.21 1.0 0.02 0.02) = 0.025% QG2 VAL 87 - HB3 MET 118 3.846% * 0.0253% (0.21 1.0 0.02 0.02) = 0.025% QD1 LEU 17 - HB3 MET 118 3.846% * 0.0234% (0.19 1.0 0.02 0.02) = 0.023% QG1 VAL 105 - HB3 MET 118 3.846% * 0.0216% (0.18 1.0 0.02 0.02) = 0.022% QG2 VAL 62 - HB3 LYS+ 110 3.846% * 0.0204% (0.17 1.0 0.02 0.02) = 0.020% QG1 VAL 80 - HB3 MET 118 3.846% * 0.0107% (0.09 1.0 0.02 0.02) = 0.011% QG2 VAL 62 - HB3 MET 118 3.846% * 0.0084% (0.07 1.0 0.02 0.02) = 0.008% Peak 1999 (4.67, 2.58, 32.91 ppm): 6 chemical-shift based assignments, quality = 0.721, support = 2.95, residual support = 12.6: * O HA PRO 35 - HB3 PRO 35 16.667% * 99.6690% (0.72 10.0 2.96 12.64) = 99.669% kept HA TYR 83 - HB3 PRO 35 16.667% * 0.1139% (0.83 1.0 0.02 0.02) = 0.114% HA ASN 89 - HB3 PRO 35 16.667% * 0.1109% (0.81 1.0 0.02 0.02) = 0.111% HA LYS+ 120 - HB3 PRO 35 16.667% * 0.0651% (0.47 1.0 0.02 0.02) = 0.065% HA GLN 16 - HB3 PRO 35 16.667% * 0.0256% (0.19 1.0 0.02 0.02) = 0.026% HA VAL 99 - HB3 PRO 35 16.667% * 0.0156% (0.11 1.0 0.02 0.02) = 0.016% Peak 2000 (4.53, 1.79, 32.73 ppm): 5 chemical-shift based assignments, quality = 0.259, support = 0.77, residual support = 0.625: HA LYS+ 55 - HB3 LYS+ 63 20.000% * 86.6307% (0.23 0.89 0.72) = 86.631% kept HA ALA 103 - HB3 LYS+ 63 20.000% * 5.5317% (0.64 0.02 0.02) = 5.532% kept HB THR 46 - HB3 LYS+ 63 20.000% * 3.7080% (0.43 0.02 0.02) = 3.708% kept HA LEU 17 - HB3 LYS+ 63 20.000% * 3.2452% (0.37 0.02 0.02) = 3.245% kept HB THR 79 - HB3 LYS+ 63 20.000% * 0.8844% (0.10 0.02 0.02) = 0.884% Peak 2001 (4.00, 1.96, 32.85 ppm): 24 chemical-shift based assignments, quality = 0.499, support = 1.84, residual support = 9.22: O T HA VAL 13 - HB VAL 13 4.167% * 90.0047% (0.48 10.0 10.00 2.00 10.25) = 90.005% kept HA THR 38 - HB2 PRO 35 4.167% * 5.2805% (0.84 1.0 1.00 0.67 0.02) = 5.280% kept HA THR 38 - HB VAL 13 4.167% * 1.7586% (0.69 1.0 1.00 0.27 0.02) = 1.759% kept T HA VAL 13 - HB2 PRO 35 4.167% * 1.0978% (0.59 1.0 10.00 0.02 0.02) = 1.098% kept T HA VAL 13 - HB3 LYS+ 55 4.167% * 0.8668% (0.47 1.0 10.00 0.02 0.02) = 0.867% HB THR 95 - HB2 PRO 35 4.167% * 0.1584% (0.85 1.0 1.00 0.02 0.02) = 0.158% HB THR 95 - HB VAL 13 4.167% * 0.1299% (0.70 1.0 1.00 0.02 0.02) = 0.130% T HA VAL 13 - HB2 LYS+ 108 4.167% * 0.1283% (0.07 1.0 10.00 0.02 0.02) = 0.128% HB THR 95 - HB3 LYS+ 55 4.167% * 0.1251% (0.67 1.0 1.00 0.02 0.02) = 0.125% HA THR 38 - HB3 LYS+ 55 4.167% * 0.1237% (0.67 1.0 1.00 0.02 0.02) = 0.124% HA1 GLY 92 - HB2 PRO 35 4.167% * 0.0778% (0.42 1.0 1.00 0.02 0.02) = 0.078% HA1 GLY 92 - HB VAL 13 4.167% * 0.0638% (0.34 1.0 1.00 0.02 0.02) = 0.064% HA1 GLY 92 - HB3 LYS+ 55 4.167% * 0.0614% (0.33 1.0 1.00 0.02 0.02) = 0.061% HB THR 95 - HB2 LYS+ 108 4.167% * 0.0185% (0.10 1.0 1.00 0.02 0.02) = 0.019% HA THR 38 - HB2 LYS+ 108 4.167% * 0.0183% (0.10 1.0 1.00 0.02 0.02) = 0.018% HB THR 95 - HB2 GLU- 75 4.167% * 0.0160% (0.09 1.0 1.00 0.02 0.02) = 0.016% HA THR 38 - HB2 GLU- 75 4.167% * 0.0158% (0.08 1.0 1.00 0.02 0.02) = 0.016% HA VAL 13 - HB2 GLU- 75 4.167% * 0.0111% (0.06 1.0 1.00 0.02 0.56) = 0.011% HA1 GLY 92 - HB2 LYS+ 108 4.167% * 0.0091% (0.05 1.0 1.00 0.02 0.02) = 0.009% HB THR 95 - HB2 PRO 116 4.167% * 0.0084% (0.05 1.0 1.00 0.02 0.02) = 0.008% HA THR 38 - HB2 PRO 116 4.167% * 0.0083% (0.04 1.0 1.00 0.02 0.02) = 0.008% HA1 GLY 92 - HB2 GLU- 75 4.167% * 0.0078% (0.04 1.0 1.00 0.02 0.02) = 0.008% HA VAL 13 - HB2 PRO 116 4.167% * 0.0058% (0.03 1.0 1.00 0.02 0.02) = 0.006% HA1 GLY 92 - HB2 PRO 116 4.167% * 0.0041% (0.02 1.0 1.00 0.02 0.02) = 0.004% Peak 2019 (1.61, 2.12, 32.96 ppm): 50 chemical-shift based assignments, quality = 0.203, support = 1.78, residual support = 12.2: * O HG2 LYS+ 110 - HB2 LYS+ 110 2.000% * 76.7931% (0.21 10.0 1.00 2.25 15.91) = 76.793% kept T HG LEU 43 - HB2 LYS+ 110 2.000% * 7.5924% (0.14 1.0 10.00 0.30 0.11) = 7.592% kept T HG LEU 43 - HB2 MET 118 2.000% * 3.1288% (0.23 1.0 10.00 0.08 0.02) = 3.129% kept HG12 ILE 101 - HB2 LYS+ 110 2.000% * 2.0520% (0.13 1.0 1.00 0.87 0.77) = 2.052% kept T HG LEU 43 - HB VAL 87 2.000% * 1.9878% (0.55 1.0 10.00 0.02 0.02) = 1.988% kept T HG LEU 43 - HB VAL 105 2.000% * 1.6193% (0.45 1.0 10.00 0.02 0.02) = 1.619% kept HD3 LYS+ 32 - HB2 LYS+ 110 2.000% * 1.2316% (0.17 1.0 1.00 0.40 0.02) = 1.232% kept T HG LEU 43 - HB VAL 125 2.000% * 0.7871% (0.05 1.0 10.00 0.10 0.14) = 0.787% HG2 LYS+ 110 - HB VAL 87 2.000% * 0.3046% (0.84 1.0 1.00 0.02 0.02) = 0.305% HB3 PRO 52 - HB VAL 87 2.000% * 0.2837% (0.78 1.0 1.00 0.02 0.02) = 0.284% HG3 LYS+ 78 - HB VAL 87 2.000% * 0.2756% (0.76 1.0 1.00 0.02 0.02) = 0.276% HG2 LYS+ 110 - HB VAL 105 2.000% * 0.2481% (0.68 1.0 1.00 0.02 0.02) = 0.248% HD3 LYS+ 32 - HB VAL 87 2.000% * 0.2460% (0.68 1.0 1.00 0.02 0.21) = 0.246% HB3 PRO 52 - HB VAL 105 2.000% * 0.2311% (0.64 1.0 1.00 0.02 0.02) = 0.231% HG3 LYS+ 78 - HB VAL 105 2.000% * 0.2245% (0.62 1.0 1.00 0.02 0.02) = 0.224% HD3 LYS+ 32 - HB VAL 105 2.000% * 0.2004% (0.55 1.0 1.00 0.02 0.02) = 0.200% HB VAL 122 - HB VAL 87 2.000% * 0.1988% (0.55 1.0 1.00 0.02 0.02) = 0.199% HB ILE 68 - HB VAL 87 2.000% * 0.1988% (0.55 1.0 1.00 0.02 0.02) = 0.199% HG12 ILE 101 - HB VAL 87 2.000% * 0.1864% (0.51 1.0 1.00 0.02 0.02) = 0.186% HB VAL 122 - HB VAL 105 2.000% * 0.1619% (0.45 1.0 1.00 0.02 0.02) = 0.162% HB ILE 68 - HB VAL 105 2.000% * 0.1619% (0.45 1.0 1.00 0.02 0.60) = 0.162% HG LEU 23 - HB VAL 87 2.000% * 0.1617% (0.45 1.0 1.00 0.02 0.45) = 0.162% HG12 ILE 101 - HB VAL 105 2.000% * 0.1518% (0.42 1.0 1.00 0.02 0.02) = 0.152% HG LEU 23 - HB VAL 105 2.000% * 0.1317% (0.36 1.0 1.00 0.02 0.12) = 0.132% HG2 LYS+ 110 - HB2 MET 118 2.000% * 0.1252% (0.35 1.0 1.00 0.02 0.02) = 0.125% HB3 PRO 52 - HB2 MET 118 2.000% * 0.1166% (0.32 1.0 1.00 0.02 0.02) = 0.117% HG3 LYS+ 78 - HB2 MET 118 2.000% * 0.1133% (0.31 1.0 1.00 0.02 0.02) = 0.113% HD3 LYS+ 32 - HB2 MET 118 2.000% * 0.1011% (0.28 1.0 1.00 0.02 0.02) = 0.101% HB3 LYS+ 32 - HB VAL 87 2.000% * 0.0948% (0.26 1.0 1.00 0.02 0.21) = 0.095% HB VAL 122 - HB2 MET 118 2.000% * 0.0817% (0.23 1.0 1.00 0.02 0.02) = 0.082% HB ILE 68 - HB2 MET 118 2.000% * 0.0817% (0.23 1.0 1.00 0.02 0.02) = 0.082% HB3 LYS+ 32 - HB VAL 105 2.000% * 0.0773% (0.21 1.0 1.00 0.02 0.02) = 0.077% HG12 ILE 101 - HB2 MET 118 2.000% * 0.0766% (0.21 1.0 1.00 0.02 0.02) = 0.077% HB3 PRO 52 - HB2 LYS+ 110 2.000% * 0.0715% (0.20 1.0 1.00 0.02 0.02) = 0.072% HG3 LYS+ 78 - HB2 LYS+ 110 2.000% * 0.0695% (0.19 1.0 1.00 0.02 0.02) = 0.069% HG LEU 23 - HB2 MET 118 2.000% * 0.0665% (0.18 1.0 1.00 0.02 0.02) = 0.066% HB ILE 68 - HB2 LYS+ 110 2.000% * 0.0501% (0.14 1.0 1.00 0.02 0.02) = 0.050% HB VAL 122 - HB2 LYS+ 110 2.000% * 0.0501% (0.14 1.0 1.00 0.02 0.02) = 0.050% HG LEU 23 - HB2 LYS+ 110 2.000% * 0.0408% (0.11 1.0 1.00 0.02 0.02) = 0.041% HB3 LYS+ 32 - HB2 MET 118 2.000% * 0.0390% (0.11 1.0 1.00 0.02 0.02) = 0.039% HG2 LYS+ 110 - HB VAL 125 2.000% * 0.0252% (0.07 1.0 1.00 0.02 0.02) = 0.025% HB3 LYS+ 32 - HB2 LYS+ 110 2.000% * 0.0239% (0.07 1.0 1.00 0.02 0.02) = 0.024% HB3 PRO 52 - HB VAL 125 2.000% * 0.0235% (0.06 1.0 1.00 0.02 0.02) = 0.023% HG3 LYS+ 78 - HB VAL 125 2.000% * 0.0228% (0.06 1.0 1.00 0.02 0.02) = 0.023% HD3 LYS+ 32 - HB VAL 125 2.000% * 0.0203% (0.06 1.0 1.00 0.02 0.02) = 0.020% HB VAL 122 - HB VAL 125 2.000% * 0.0164% (0.05 1.0 1.00 0.02 0.02) = 0.016% HB ILE 68 - HB VAL 125 2.000% * 0.0164% (0.05 1.0 1.00 0.02 0.02) = 0.016% HG12 ILE 101 - HB VAL 125 2.000% * 0.0154% (0.04 1.0 1.00 0.02 0.02) = 0.015% HG LEU 23 - HB VAL 125 2.000% * 0.0134% (0.04 1.0 1.00 0.02 0.02) = 0.013% HB3 LYS+ 32 - HB VAL 125 2.000% * 0.0078% (0.02 1.0 1.00 0.02 0.02) = 0.008% Peak 2020 (1.53, 2.03, 32.90 ppm): 24 chemical-shift based assignments, quality = 0.189, support = 0.24, residual support = 0.185: QB ALA 42 - HB3 LYS+ 110 4.167% * 50.0355% (0.18 0.42 0.34) = 50.036% kept QG2 THR 24 - HB3 LYS+ 110 4.167% * 5.4304% (0.41 0.02 0.02) = 5.430% kept HG13 ILE 29 - HB3 GLU- 75 4.167% * 5.1567% (0.02 0.32 0.02) = 5.157% kept HG13 ILE 29 - HB3 LYS+ 110 4.167% * 4.1317% (0.31 0.02 0.02) = 4.132% kept HG3 LYS+ 72 - HB3 LYS+ 110 4.167% * 4.1317% (0.31 0.02 0.02) = 4.132% kept QG2 THR 24 - HB3 MET 118 4.167% * 3.3360% (0.25 0.02 0.02) = 3.336% kept HB3 LEU 90 - HB3 LYS+ 110 4.167% * 3.0203% (0.23 0.02 0.02) = 3.020% kept HB2 LYS+ 72 - HB3 LYS+ 110 4.167% * 3.0203% (0.23 0.02 0.02) = 3.020% kept QB ALA 42 - HB3 GLU- 75 4.167% * 2.5946% (0.01 0.27 0.02) = 2.595% kept HG3 LYS+ 72 - HB3 MET 118 4.167% * 2.5381% (0.19 0.02 0.02) = 2.538% kept HG13 ILE 29 - HB3 MET 118 4.167% * 2.5381% (0.19 0.02 0.02) = 2.538% kept HG12 ILE 29 - HB3 LYS+ 110 4.167% * 2.3971% (0.18 0.02 0.02) = 2.397% kept HD3 LYS+ 108 - HB3 LYS+ 110 4.167% * 2.1213% (0.16 0.02 0.39) = 2.121% kept HB3 LEU 90 - HB3 MET 118 4.167% * 1.8554% (0.14 0.02 0.02) = 1.855% kept HB2 LYS+ 72 - HB3 MET 118 4.167% * 1.8554% (0.14 0.02 0.02) = 1.855% kept QB ALA 42 - HB3 MET 118 4.167% * 1.4725% (0.11 0.02 0.02) = 1.473% kept HG12 ILE 29 - HB3 MET 118 4.167% * 1.4725% (0.11 0.02 0.02) = 1.473% kept HD3 LYS+ 108 - HB3 MET 118 4.167% * 1.3031% (0.10 0.02 0.02) = 1.303% kept QG2 THR 24 - HB3 GLU- 75 4.167% * 0.4289% (0.03 0.02 0.02) = 0.429% HG3 LYS+ 72 - HB3 GLU- 75 4.167% * 0.3263% (0.02 0.02 0.02) = 0.326% HB3 LEU 90 - HB3 GLU- 75 4.167% * 0.2386% (0.02 0.02 0.39) = 0.239% HB2 LYS+ 72 - HB3 GLU- 75 4.167% * 0.2386% (0.02 0.02 0.02) = 0.239% HG12 ILE 29 - HB3 GLU- 75 4.167% * 0.1893% (0.01 0.02 0.02) = 0.189% HD3 LYS+ 108 - HB3 GLU- 75 4.167% * 0.1676% (0.01 0.02 0.02) = 0.168% Not enough support, support cutoff is 0.27 Peak unassigned. Peak 2021 (1.45, 1.78, 32.89 ppm): 39 chemical-shift based assignments, quality = 0.126, support = 0.963, residual support = 0.856: HG3 LYS+ 60 - HB3 LYS+ 63 2.564% * 35.3345% (0.18 1.45 1.04) = 35.335% kept HG3 LYS+ 55 - HB3 LYS+ 63 2.564% * 18.8286% (0.11 1.32 0.72) = 18.829% kept HD3 LYS+ 113 - HB3 LYS+ 63 2.564% * 12.1897% (0.10 0.92 1.30) = 12.190% kept HG3 LYS+ 113 - HB3 LYS+ 63 2.564% * 7.5485% (0.12 0.46 1.30) = 7.549% kept HG3 PRO 52 - HB3 LYS+ 63 2.564% * 5.7498% (0.10 0.44 1.23) = 5.750% kept HG2 PRO 59 - HB3 LYS+ 63 2.564% * 4.8442% (0.18 0.20 0.02) = 4.844% kept QG2 THR 38 - HB3 LYS+ 108 2.564% * 2.8434% (0.07 0.29 0.02) = 2.843% kept HD3 LYS+ 44 - HB3 LYS+ 63 2.564% * 2.0549% (0.05 0.34 1.25) = 2.055% kept HD3 LYS+ 44 - HB3 LYS+ 108 2.564% * 1.4439% (0.04 0.25 0.02) = 1.444% kept HG3 LYS+ 55 - HB2 LYS+ 117 2.564% * 0.9108% (0.07 0.10 0.02) = 0.911% HG3 PRO 52 - HB2 LYS+ 117 2.564% * 0.8074% (0.07 0.09 0.02) = 0.807% HG3 LYS+ 60 - HB3 LYS+ 108 2.564% * 0.4666% (0.18 0.02 0.02) = 0.467% HG2 PRO 59 - HB3 LYS+ 108 2.564% * 0.4666% (0.18 0.02 0.17) = 0.467% HG LEU 90 - HB3 LYS+ 63 2.564% * 0.4529% (0.17 0.02 0.02) = 0.453% HG LEU 90 - HB3 LYS+ 108 2.564% * 0.4346% (0.16 0.02 0.02) = 0.435% HG13 ILE 48 - HB3 LYS+ 63 2.564% * 0.3937% (0.15 0.02 0.02) = 0.394% HG13 ILE 48 - HB3 LYS+ 108 2.564% * 0.3778% (0.14 0.02 0.02) = 0.378% HG2 PRO 59 - HB2 LYS+ 117 2.564% * 0.3177% (0.12 0.02 0.02) = 0.318% HG3 LYS+ 60 - HB2 LYS+ 117 2.564% * 0.3177% (0.12 0.02 0.02) = 0.318% HG3 LYS+ 113 - HB3 LYS+ 108 2.564% * 0.3156% (0.12 0.02 0.02) = 0.316% HG LEU 90 - HB2 LYS+ 117 2.564% * 0.2959% (0.11 0.02 0.02) = 0.296% HG3 ARG+ 22 - HB3 LYS+ 63 2.564% * 0.2853% (0.11 0.02 0.02) = 0.285% HG3 ARG+ 22 - HB3 LYS+ 108 2.564% * 0.2737% (0.10 0.02 0.02) = 0.274% HG3 LYS+ 55 - HB3 LYS+ 108 2.564% * 0.2737% (0.10 0.02 0.02) = 0.274% HG13 ILE 48 - HB2 LYS+ 117 2.564% * 0.2572% (0.10 0.02 0.02) = 0.257% HG3 PRO 52 - HB3 LYS+ 108 2.564% * 0.2533% (0.10 0.02 0.02) = 0.253% HD3 LYS+ 113 - HB3 LYS+ 108 2.564% * 0.2533% (0.10 0.02 0.02) = 0.253% HB3 LEU 67 - HB3 LYS+ 63 2.564% * 0.2229% (0.08 0.02 0.02) = 0.223% HG3 LYS+ 113 - HB2 LYS+ 117 2.564% * 0.2149% (0.08 0.02 0.02) = 0.215% HB3 LEU 67 - HB3 LYS+ 108 2.564% * 0.2139% (0.08 0.02 0.02) = 0.214% QG2 THR 38 - HB3 LYS+ 63 2.564% * 0.2035% (0.08 0.02 0.02) = 0.203% HG3 ARG+ 22 - HB2 LYS+ 117 2.564% * 0.1864% (0.07 0.02 0.02) = 0.186% HD3 LYS+ 113 - HB2 LYS+ 117 2.564% * 0.1724% (0.07 0.02 0.02) = 0.172% QB ALA 91 - HB3 LYS+ 63 2.564% * 0.1673% (0.06 0.02 0.02) = 0.167% QB ALA 91 - HB3 LYS+ 108 2.564% * 0.1606% (0.06 0.02 0.02) = 0.161% HB3 LEU 67 - HB2 LYS+ 117 2.564% * 0.1456% (0.06 0.02 0.02) = 0.146% QG2 THR 38 - HB2 LYS+ 117 2.564% * 0.1330% (0.05 0.02 0.40) = 0.133% QB ALA 91 - HB2 LYS+ 117 2.564% * 0.1093% (0.04 0.02 0.02) = 0.109% HD3 LYS+ 44 - HB2 LYS+ 117 2.564% * 0.0789% (0.03 0.02 0.02) = 0.079% Reference assignment not found: HG2 PRO 59 - HB2 PRO 59 Not enough quality. Peak unassigned. Peak 2022 (1.43, 2.03, 32.92 ppm): 39 chemical-shift based assignments, quality = 0.433, support = 0.347, residual support = 0.643: HD3 LYS+ 44 - HB3 GLU- 75 2.564% * 18.5504% (0.05 1.40 3.27) = 18.550% kept HG13 ILE 48 - HB3 LYS+ 110 2.564% * 6.1838% (0.25 0.10 0.02) = 6.184% kept HG3 LYS+ 60 - HB3 GLU- 75 2.564% * 6.0136% (0.03 0.76 0.18) = 6.014% kept HG3 LYS+ 113 - HB3 LYS+ 110 2.564% * 4.9834% (0.98 0.02 0.02) = 4.983% kept HG LEU 90 - HB3 LYS+ 110 2.564% * 4.8522% (0.95 0.02 0.02) = 4.852% kept HG3 LYS+ 55 - HB3 LYS+ 110 2.564% * 4.8522% (0.95 0.02 0.02) = 4.852% kept HG3 ARG+ 22 - HB3 LYS+ 110 2.564% * 4.8522% (0.95 0.02 0.02) = 4.852% kept HD3 LYS+ 113 - HB3 LYS+ 110 2.564% * 4.7562% (0.93 0.02 0.02) = 4.756% kept QG2 THR 38 - HB3 LYS+ 110 2.564% * 4.3613% (0.86 0.02 0.02) = 4.361% kept QB ALA 91 - HB3 LYS+ 110 2.564% * 4.0260% (0.79 0.02 0.13) = 4.026% kept HG2 PRO 59 - HB3 GLU- 75 2.564% * 3.9732% (0.03 0.50 0.22) = 3.973% kept HD3 LYS+ 44 - HB3 LYS+ 110 2.564% * 3.4537% (0.68 0.02 0.02) = 3.454% kept HG3 LYS+ 113 - HB3 MET 118 2.564% * 2.1459% (0.42 0.02 0.02) = 2.146% kept HG LEU 90 - HB3 MET 118 2.564% * 2.0894% (0.41 0.02 0.02) = 2.089% kept HG3 ARG+ 22 - HB3 MET 118 2.564% * 2.0894% (0.41 0.02 0.02) = 2.089% kept HG3 LYS+ 55 - HB3 MET 118 2.564% * 2.0894% (0.41 0.02 0.02) = 2.089% kept HG3 LYS+ 60 - HB3 LYS+ 110 2.564% * 2.0670% (0.41 0.02 0.02) = 2.067% kept HG2 PRO 59 - HB3 LYS+ 110 2.564% * 2.0670% (0.41 0.02 0.02) = 2.067% kept HD3 LYS+ 113 - HB3 MET 118 2.564% * 2.0481% (0.40 0.02 0.02) = 2.048% kept QG2 THR 38 - HB3 MET 118 2.564% * 1.8780% (0.37 0.02 0.02) = 1.878% kept QB ALA 91 - HB3 MET 118 2.564% * 1.7336% (0.34 0.02 0.02) = 1.734% kept HD3 LYS+ 44 - HB3 MET 118 2.564% * 1.4872% (0.29 0.02 0.02) = 1.487% kept QB ALA 37 - HB3 LYS+ 110 2.564% * 1.3979% (0.27 0.02 0.02) = 1.398% kept HG13 ILE 48 - HB3 GLU- 75 2.564% * 1.3428% (0.02 0.28 0.02) = 1.343% kept HG2 PRO 59 - HB3 MET 118 2.564% * 0.8901% (0.17 0.02 0.02) = 0.890% HG3 LYS+ 60 - HB3 MET 118 2.564% * 0.8901% (0.17 0.02 0.02) = 0.890% HG LEU 67 - HB3 LYS+ 110 2.564% * 0.7758% (0.15 0.02 0.02) = 0.776% QB ALA 37 - HB3 MET 118 2.564% * 0.6020% (0.12 0.02 0.02) = 0.602% HG13 ILE 48 - HB3 MET 118 2.564% * 0.5399% (0.11 0.02 0.02) = 0.540% HG3 LYS+ 113 - HB3 GLU- 75 2.564% * 0.3823% (0.08 0.02 0.02) = 0.382% HG3 ARG+ 22 - HB3 GLU- 75 2.564% * 0.3723% (0.07 0.02 0.02) = 0.372% HG3 LYS+ 55 - HB3 GLU- 75 2.564% * 0.3723% (0.07 0.02 0.02) = 0.372% HG LEU 90 - HB3 GLU- 75 2.564% * 0.3723% (0.07 0.02 0.39) = 0.372% HD3 LYS+ 113 - HB3 GLU- 75 2.564% * 0.3649% (0.07 0.02 0.02) = 0.365% QG2 THR 38 - HB3 GLU- 75 2.564% * 0.3346% (0.07 0.02 0.02) = 0.335% HG LEU 67 - HB3 MET 118 2.564% * 0.3341% (0.07 0.02 0.02) = 0.334% QB ALA 91 - HB3 GLU- 75 2.564% * 0.3089% (0.06 0.02 0.12) = 0.309% QB ALA 37 - HB3 GLU- 75 2.564% * 0.1072% (0.02 0.02 0.02) = 0.107% HG LEU 67 - HB3 GLU- 75 2.564% * 0.0595% (0.01 0.02 0.26) = 0.060% Too many assignments. Peak unassigned. Peak 2023 (1.25, 2.11, 32.95 ppm): 15 chemical-shift based assignments, quality = 0.181, support = 0.039, residual support = 0.0757: HB3 LEU 74 - HB2 MET 118 6.667% * 22.2393% (0.12 0.11 0.02) = 22.239% kept HG12 ILE 100 - HB VAL 87 6.667% * 11.0015% (0.31 0.02 0.35) = 11.001% kept HG2 LYS+ 32 - HB VAL 87 6.667% * 9.9545% (0.28 0.02 0.21) = 9.955% kept HG12 ILE 100 - HB2 MET 118 6.667% * 8.1712% (0.23 0.02 0.02) = 8.171% kept HG2 LYS+ 32 - HB2 MET 118 6.667% * 7.3936% (0.21 0.02 0.02) = 7.394% kept HG12 ILE 100 - HB VAL 105 6.667% * 7.0601% (0.20 0.02 0.02) = 7.060% kept HG2 LYS+ 32 - HB VAL 105 6.667% * 6.3883% (0.18 0.02 0.02) = 6.388% kept HG12 ILE 100 - HB2 LYS+ 110 6.667% * 5.9276% (0.16 0.02 0.02) = 5.928% kept HB3 LEU 74 - HB VAL 87 6.667% * 5.6483% (0.16 0.02 0.02) = 5.648% kept HG2 LYS+ 32 - HB2 LYS+ 110 6.667% * 5.3635% (0.15 0.02 0.02) = 5.363% kept HB3 LEU 74 - HB VAL 105 6.667% * 3.6248% (0.10 0.02 0.02) = 3.625% kept HB3 LEU 74 - HB2 LYS+ 110 6.667% * 3.0433% (0.08 0.02 0.02) = 3.043% kept HG12 ILE 100 - HB VAL 125 6.667% * 1.7302% (0.05 0.02 0.02) = 1.730% kept HG2 LYS+ 32 - HB VAL 125 6.667% * 1.5655% (0.04 0.02 0.02) = 1.566% kept HB3 LEU 74 - HB VAL 125 6.667% * 0.8883% (0.02 0.02 0.02) = 0.888% Not enough support, support cutoff is 0.27 Peak unassigned. Peak 2026 (0.84, 1.97, 32.87 ppm): 54 chemical-shift based assignments, quality = 0.568, support = 1.61, residual support = 9.96: * O QG2 VAL 13 - HB VAL 13 1.852% * 68.3046% (0.62 10.0 1.00 1.93 10.25) = 68.305% kept O QG1 VAL 13 - HB VAL 13 1.852% * 28.8663% (0.50 10.0 1.00 1.00 10.25) = 28.866% kept T QG1 VAL 94 - HB2 LYS+ 108 1.852% * 1.4987% (0.09 1.0 10.00 0.30 0.02) = 1.499% kept T QG1 VAL 94 - HB3 MET 118 1.852% * 0.1120% (0.10 1.0 10.00 0.02 0.02) = 0.112% QG2 VAL 13 - HB2 PRO 35 1.852% * 0.0741% (0.65 1.0 1.00 0.02 0.02) = 0.074% HG2 LYS+ 117 - HB2 PRO 35 1.852% * 0.0729% (0.64 1.0 1.00 0.02 0.02) = 0.073% HG2 LYS+ 117 - HB VAL 13 1.852% * 0.0696% (0.61 1.0 1.00 0.02 0.02) = 0.070% QD1 ILE 29 - HB2 PRO 35 1.852% * 0.0605% (0.53 1.0 1.00 0.02 0.02) = 0.061% QG1 VAL 13 - HB2 PRO 35 1.852% * 0.0605% (0.53 1.0 1.00 0.02 0.02) = 0.061% QD1 ILE 29 - HB VAL 13 1.852% * 0.0577% (0.50 1.0 1.00 0.02 0.02) = 0.058% QG2 VAL 13 - HB3 LYS+ 55 1.852% * 0.0517% (0.45 1.0 1.00 0.02 0.02) = 0.052% HG2 LYS+ 117 - HB3 LYS+ 55 1.852% * 0.0509% (0.44 1.0 1.00 0.02 0.02) = 0.051% T QG1 VAL 13 - HB2 GLU- 75 1.852% * 0.0483% (0.04 1.0 10.00 0.02 0.56) = 0.048% T QD1 ILE 29 - HB2 GLU- 75 1.852% * 0.0483% (0.04 1.0 10.00 0.02 0.02) = 0.048% QG1 VAL 13 - HB3 LYS+ 55 1.852% * 0.0423% (0.37 1.0 1.00 0.02 0.02) = 0.042% QD1 ILE 29 - HB3 LYS+ 55 1.852% * 0.0423% (0.37 1.0 1.00 0.02 0.02) = 0.042% QG1 VAL 94 - HB2 PRO 35 1.852% * 0.0398% (0.35 1.0 1.00 0.02 0.02) = 0.040% QG1 VAL 94 - HB VAL 13 1.852% * 0.0379% (0.33 1.0 1.00 0.02 0.02) = 0.038% QG1 VAL 94 - HB3 LYS+ 55 1.852% * 0.0278% (0.24 1.0 1.00 0.02 0.02) = 0.028% QD1 LEU 90 - HB2 PRO 35 1.852% * 0.0233% (0.20 1.0 1.00 0.02 0.02) = 0.023% QD2 LEU 17 - HB2 PRO 35 1.852% * 0.0233% (0.20 1.0 1.00 0.02 0.02) = 0.023% QD1 LEU 90 - HB VAL 13 1.852% * 0.0223% (0.19 1.0 1.00 0.02 0.02) = 0.022% QD2 LEU 17 - HB VAL 13 1.852% * 0.0223% (0.19 1.0 1.00 0.02 0.02) = 0.022% QG2 ILE 100 - HB2 PRO 35 1.852% * 0.0210% (0.18 1.0 1.00 0.02 0.02) = 0.021% QG2 VAL 13 - HB3 MET 118 1.852% * 0.0209% (0.18 1.0 1.00 0.02 0.44) = 0.021% HG2 LYS+ 117 - HB3 MET 118 1.852% * 0.0205% (0.18 1.0 1.00 0.02 0.83) = 0.021% QG2 ILE 100 - HB VAL 13 1.852% * 0.0200% (0.18 1.0 1.00 0.02 0.14) = 0.020% QG2 VAL 13 - HB2 LYS+ 108 1.852% * 0.0186% (0.16 1.0 1.00 0.02 0.02) = 0.019% HG2 LYS+ 117 - HB2 LYS+ 108 1.852% * 0.0184% (0.16 1.0 1.00 0.02 0.02) = 0.018% QD1 ILE 29 - HB3 MET 118 1.852% * 0.0170% (0.15 1.0 1.00 0.02 0.02) = 0.017% QG1 VAL 13 - HB3 MET 118 1.852% * 0.0170% (0.15 1.0 1.00 0.02 0.44) = 0.017% QD2 LEU 90 - HB2 PRO 35 1.852% * 0.0168% (0.15 1.0 1.00 0.02 0.02) = 0.017% QD1 LEU 90 - HB3 LYS+ 55 1.852% * 0.0163% (0.14 1.0 1.00 0.02 0.02) = 0.016% QD2 LEU 17 - HB3 LYS+ 55 1.852% * 0.0163% (0.14 1.0 1.00 0.02 0.02) = 0.016% QD2 LEU 90 - HB VAL 13 1.852% * 0.0161% (0.14 1.0 1.00 0.02 0.02) = 0.016% QG1 VAL 13 - HB2 LYS+ 108 1.852% * 0.0152% (0.13 1.0 1.00 0.02 0.02) = 0.015% QD1 ILE 29 - HB2 LYS+ 108 1.852% * 0.0152% (0.13 1.0 1.00 0.02 0.02) = 0.015% QG2 ILE 100 - HB3 LYS+ 55 1.852% * 0.0147% (0.13 1.0 1.00 0.02 0.02) = 0.015% QD2 LEU 90 - HB3 LYS+ 55 1.852% * 0.0118% (0.10 1.0 1.00 0.02 0.02) = 0.012% QD2 LEU 17 - HB3 MET 118 1.852% * 0.0066% (0.06 1.0 1.00 0.02 0.02) = 0.007% QD1 LEU 90 - HB3 MET 118 1.852% * 0.0066% (0.06 1.0 1.00 0.02 0.02) = 0.007% QG2 ILE 100 - HB3 MET 118 1.852% * 0.0059% (0.05 1.0 1.00 0.02 0.02) = 0.006% QG2 VAL 13 - HB2 GLU- 75 1.852% * 0.0059% (0.05 1.0 1.00 0.02 0.56) = 0.006% QD1 LEU 90 - HB2 LYS+ 108 1.852% * 0.0059% (0.05 1.0 1.00 0.02 0.02) = 0.006% QD2 LEU 17 - HB2 LYS+ 108 1.852% * 0.0059% (0.05 1.0 1.00 0.02 0.02) = 0.006% HG2 LYS+ 117 - HB2 GLU- 75 1.852% * 0.0058% (0.05 1.0 1.00 0.02 0.02) = 0.006% QG2 ILE 100 - HB2 LYS+ 108 1.852% * 0.0053% (0.05 1.0 1.00 0.02 0.02) = 0.005% QD2 LEU 90 - HB3 MET 118 1.852% * 0.0047% (0.04 1.0 1.00 0.02 0.02) = 0.005% QD2 LEU 90 - HB2 LYS+ 108 1.852% * 0.0042% (0.04 1.0 1.00 0.02 0.02) = 0.004% QG1 VAL 94 - HB2 GLU- 75 1.852% * 0.0032% (0.03 1.0 1.00 0.02 0.02) = 0.003% QD1 LEU 90 - HB2 GLU- 75 1.852% * 0.0019% (0.02 1.0 1.00 0.02 0.39) = 0.002% QD2 LEU 17 - HB2 GLU- 75 1.852% * 0.0019% (0.02 1.0 1.00 0.02 0.25) = 0.002% QG2 ILE 100 - HB2 GLU- 75 1.852% * 0.0017% (0.01 1.0 1.00 0.02 0.02) = 0.002% QD2 LEU 90 - HB2 GLU- 75 1.852% * 0.0013% (0.01 1.0 1.00 0.02 0.39) = 0.001% Peak 2028 (7.81, 2.13, 32.54 ppm): 10 chemical-shift based assignments, quality = 0.0686, support = 3.31, residual support = 20.1: * O HN VAL 87 - HB VAL 87 10.000% * 96.3646% (0.07 10.0 3.43 20.87) = 96.365% kept HN ALA 93 - HB3 GLU- 75 10.000% * 2.1446% (0.24 1.0 0.12 0.02) = 2.145% kept HN LYS+ 55 - HB3 GLU- 75 10.000% * 0.3803% (0.26 1.0 0.02 0.02) = 0.380% HN LYS+ 55 - HB VAL 87 10.000% * 0.2545% (0.17 1.0 0.02 0.02) = 0.254% HN ALA 93 - HB VAL 87 10.000% * 0.2303% (0.16 1.0 0.02 0.02) = 0.230% HN LYS+ 63 - HB3 GLU- 75 10.000% * 0.1577% (0.11 1.0 0.02 0.02) = 0.158% HN VAL 87 - HB3 GLU- 75 10.000% * 0.1440% (0.10 1.0 0.02 0.02) = 0.144% HN THR 46 - HB3 GLU- 75 10.000% * 0.1309% (0.09 1.0 0.02 0.02) = 0.131% HN LYS+ 63 - HB VAL 87 10.000% * 0.1056% (0.07 1.0 0.02 0.02) = 0.106% HN THR 46 - HB VAL 87 10.000% * 0.0876% (0.06 1.0 0.02 0.02) = 0.088% Peak 2029 (7.82, 1.78, 32.67 ppm): 8 chemical-shift based assignments, quality = 0.421, support = 3.53, residual support = 20.3: O HN LYS+ 63 - HB3 LYS+ 63 12.500% * 90.1213% (0.42 10.0 3.77 22.47) = 90.121% kept HN LYS+ 55 - HB3 LYS+ 63 12.500% * 8.1067% (0.49 1.0 1.53 0.72) = 8.107% kept HN ALA 93 - HB3 LYS+ 63 12.500% * 1.6055% (0.31 1.0 0.48 0.02) = 1.606% kept HN LYS+ 55 - HB2 LYS+ 117 12.500% * 0.0571% (0.26 1.0 0.02 0.02) = 0.057% HN LYS+ 63 - HB2 LYS+ 117 12.500% * 0.0487% (0.23 1.0 0.02 0.73) = 0.049% HN ALA 93 - HB2 LYS+ 117 12.500% * 0.0361% (0.17 1.0 0.02 0.02) = 0.036% HN VAL 87 - HB3 LYS+ 63 12.500% * 0.0160% (0.07 1.0 0.02 0.02) = 0.016% HN VAL 87 - HB2 LYS+ 117 12.500% * 0.0086% (0.04 1.0 0.02 0.02) = 0.009% Peak 2030 (7.84, 1.79, 32.50 ppm): 3 chemical-shift based assignments, quality = 0.727, support = 3.73, residual support = 22.1: * O HN LYS+ 63 - HB3 LYS+ 63 33.333% * 98.1960% (0.74 10.0 3.77 22.47) = 98.196% kept HN LYS+ 55 - HB3 LYS+ 63 33.333% * 1.7834% (0.17 1.0 1.53 0.72) = 1.783% kept HN THR 38 - HB3 LYS+ 63 33.333% * 0.0206% (0.15 1.0 0.02 0.02) = 0.021% Peak 2031 (4.16, 2.13, 32.58 ppm): 27 chemical-shift based assignments, quality = 0.175, support = 1.59, residual support = 13.4: * O T HA VAL 87 - HB VAL 87 3.704% * 63.2590% (0.20 10.0 10.00 2.21 20.87) = 63.259% kept T HA VAL 73 - HB3 GLU- 75 3.704% * 16.5882% (0.14 1.0 10.00 0.76 0.02) = 16.588% kept T HB3 SER 49 - HB3 GLU- 75 3.704% * 9.8091% (0.23 1.0 10.00 0.26 0.02) = 9.809% kept T HB3 SER 49 - HB2 MET 118 3.704% * 2.8134% (0.03 1.0 10.00 0.64 0.02) = 2.813% kept HB2 SER 88 - HB VAL 87 3.704% * 1.5186% (0.10 1.0 1.00 0.94 11.74) = 1.519% kept T HA VAL 65 - HB3 GLU- 75 3.704% * 1.4535% (0.12 1.0 10.00 0.08 0.02) = 1.454% kept T HA VAL 105 - HB VAL 87 3.704% * 0.7900% (0.25 1.0 10.00 0.02 0.02) = 0.790% T HB3 SER 49 - HB VAL 87 3.704% * 0.7707% (0.24 1.0 10.00 0.02 0.02) = 0.771% T HA VAL 105 - HB3 GLU- 75 3.704% * 0.7677% (0.24 1.0 10.00 0.02 0.02) = 0.768% T HA VAL 87 - HB3 GLU- 75 3.704% * 0.6148% (0.19 1.0 10.00 0.02 0.02) = 0.615% T HA VAL 73 - HB VAL 87 3.704% * 0.4473% (0.14 1.0 10.00 0.02 0.02) = 0.447% T HA VAL 65 - HB VAL 87 3.704% * 0.3845% (0.12 1.0 10.00 0.02 0.02) = 0.385% T HA LYS+ 110 - HB VAL 87 3.704% * 0.1384% (0.04 1.0 10.00 0.02 0.02) = 0.138% T HA LYS+ 110 - HB3 GLU- 75 3.704% * 0.1345% (0.04 1.0 10.00 0.02 0.02) = 0.134% T HA VAL 105 - HB2 MET 118 3.704% * 0.0903% (0.03 1.0 10.00 0.02 0.02) = 0.090% HB THR 106 - HB VAL 87 3.704% * 0.0790% (0.25 1.0 1.00 0.02 0.02) = 0.079% HB THR 106 - HB3 GLU- 75 3.704% * 0.0768% (0.24 1.0 1.00 0.02 0.02) = 0.077% T HA VAL 87 - HB2 MET 118 3.704% * 0.0723% (0.02 1.0 10.00 0.02 0.02) = 0.072% T HA VAL 73 - HB2 MET 118 3.704% * 0.0511% (0.02 1.0 10.00 0.02 0.02) = 0.051% T HA VAL 65 - HB2 MET 118 3.704% * 0.0440% (0.01 1.0 10.00 0.02 0.02) = 0.044% HB2 SER 88 - HB3 GLU- 75 3.704% * 0.0316% (0.10 1.0 1.00 0.02 0.02) = 0.032% HA2 GLY 71 - HB VAL 87 3.704% * 0.0176% (0.06 1.0 1.00 0.02 0.02) = 0.018% HA2 GLY 71 - HB3 GLU- 75 3.704% * 0.0171% (0.05 1.0 1.00 0.02 0.02) = 0.017% T HA LYS+ 110 - HB2 MET 118 3.704% * 0.0158% (0.00 1.0 10.00 0.02 0.02) = 0.016% HB THR 106 - HB2 MET 118 3.704% * 0.0090% (0.03 1.0 1.00 0.02 0.02) = 0.009% HB2 SER 88 - HB2 MET 118 3.704% * 0.0037% (0.01 1.0 1.00 0.02 0.02) = 0.004% HA2 GLY 71 - HB2 MET 118 3.704% * 0.0020% (0.01 1.0 1.00 0.02 0.02) = 0.002% Peak 2032 (4.09, 1.79, 32.47 ppm): 6 chemical-shift based assignments, quality = 0.699, support = 2.24, residual support = 21.9: * O T HA LYS+ 63 - HB3 LYS+ 63 16.667% * 97.5764% (0.70 10.0 10.00 2.28 22.47) = 97.576% kept HB3 SER 49 - HB3 LYS+ 63 16.667% * 2.1375% (0.61 1.0 1.00 0.50 0.02) = 2.137% kept HA THR 24 - HB3 LYS+ 63 16.667% * 0.1216% (0.88 1.0 1.00 0.02 0.02) = 0.122% HA ALA 70 - HB3 LYS+ 63 16.667% * 0.0931% (0.67 1.0 1.00 0.02 0.02) = 0.093% HA THR 46 - HB3 LYS+ 63 16.667% * 0.0501% (0.36 1.0 1.00 0.02 0.02) = 0.050% HB2 SER 49 - HB3 LYS+ 63 16.667% * 0.0213% (0.15 1.0 1.00 0.02 0.02) = 0.021% Peak 2033 (3.62, 1.89, 32.34 ppm): 2 chemical-shift based assignments, quality = 0.636, support = 3.83, residual support = 39.2: * O HD2 PRO 112 - HB2 PRO 112 50.000% * 99.1592% (0.64 10.0 3.87 39.48) = 99.159% kept HD2 PRO 112 - HB2 PRO 104 50.000% * 0.8408% (0.12 1.0 0.94 3.72) = 0.841% Peak 2034 (2.52, 2.11, 32.58 ppm): 16 chemical-shift based assignments, quality = 0.103, support = 0.544, residual support = 0.259: T HG2 PRO 112 - HB3 GLU- 75 6.250% * 73.1240% (0.09 10.00 0.59 0.30) = 73.124% kept HB3 PRO 59 - HB3 GLU- 75 6.250% * 16.7207% (0.19 1.00 0.66 0.22) = 16.721% kept T HG2 PRO 112 - HB VAL 87 6.250% * 2.8034% (0.10 10.00 0.02 0.02) = 2.803% kept T HG2 PRO 112 - HB2 MET 118 6.250% * 1.2703% (0.05 10.00 0.02 0.02) = 1.270% kept T HG2 PRO 112 - HB2 LYS+ 110 6.250% * 1.1350% (0.04 10.00 0.02 0.02) = 1.135% kept HB2 ASP- 36 - HB VAL 87 6.250% * 0.8789% (0.33 1.00 0.02 0.02) = 0.879% HB2 ASP- 36 - HB3 GLU- 75 6.250% * 0.7746% (0.29 1.00 0.02 0.02) = 0.775% HB3 PRO 59 - HB VAL 87 6.250% * 0.5736% (0.21 1.00 0.02 0.02) = 0.574% HB2 ASP- 115 - HB VAL 87 6.250% * 0.5378% (0.20 1.00 0.02 0.02) = 0.538% HB2 ASP- 115 - HB3 GLU- 75 6.250% * 0.4740% (0.18 1.00 0.02 0.02) = 0.474% HB2 ASP- 36 - HB2 MET 118 6.250% * 0.3982% (0.15 1.00 0.02 0.02) = 0.398% HB2 ASP- 36 - HB2 LYS+ 110 6.250% * 0.3558% (0.13 1.00 0.02 0.02) = 0.356% HB3 PRO 59 - HB2 MET 118 6.250% * 0.2599% (0.10 1.00 0.02 0.02) = 0.260% HB2 ASP- 115 - HB2 MET 118 6.250% * 0.2437% (0.09 1.00 0.02 0.02) = 0.244% HB3 PRO 59 - HB2 LYS+ 110 6.250% * 0.2322% (0.09 1.00 0.02 0.02) = 0.232% HB2 ASP- 115 - HB2 LYS+ 110 6.250% * 0.2177% (0.08 1.00 0.02 0.02) = 0.218% Not enough quality. Peak unassigned. Peak 2035 (2.51, 2.01, 32.43 ppm): 14 chemical-shift based assignments, quality = 0.0926, support = 0.618, residual support = 0.33: HB3 PRO 59 - HB3 GLU- 75 7.143% * 56.3904% (0.13 0.66 0.22) = 56.390% kept * HG2 PRO 112 - HB3 GLU- 75 7.143% * 17.6728% (0.05 0.59 0.30) = 17.673% kept HB VAL 40 - HB3 GLU- 75 7.143% * 17.3808% (0.03 0.80 0.87) = 17.381% kept HB3 PRO 59 - HB2 PRO 86 7.143% * 1.7925% (0.14 0.02 0.02) = 1.792% kept HB2 ASP- 36 - HB2 PRO 86 7.143% * 1.2561% (0.10 0.02 0.02) = 1.256% kept HB2 ASP- 36 - HB3 GLU- 75 7.143% * 1.1949% (0.09 0.02 0.02) = 1.195% kept HG2 PRO 112 - HB2 PRO 86 7.143% * 0.6278% (0.05 0.02 0.02) = 0.628% HG3 MET 118 - HB2 PRO 86 7.143% * 0.6238% (0.05 0.02 0.02) = 0.624% HG3 PRO 35 - HB2 PRO 86 7.143% * 0.6238% (0.05 0.02 0.02) = 0.624% HG3 MET 118 - HB3 GLU- 75 7.143% * 0.5934% (0.05 0.02 0.02) = 0.593% HG3 PRO 35 - HB3 GLU- 75 7.143% * 0.5934% (0.05 0.02 0.02) = 0.593% HB VAL 40 - HB2 PRO 86 7.143% * 0.4560% (0.04 0.02 0.02) = 0.456% HB2 ASP- 115 - HB2 PRO 86 7.143% * 0.4071% (0.03 0.02 0.02) = 0.407% HB2 ASP- 115 - HB3 GLU- 75 7.143% * 0.3873% (0.03 0.02 0.02) = 0.387% Not enough quality. Peak unassigned. Peak 2039 (2.29, 2.29, 32.33 ppm): 5 diagonal assignments: HB3 PRO 116 - HB3 PRO 116 (0.64) kept HB3 PRO 112 - HB3 PRO 112 (0.31) kept HB VAL 80 - HB VAL 80 (0.05) kept HB3 PRO 86 - HB3 PRO 86 (0.03) kept HB3 LYS+ 117 - HB3 LYS+ 117 (0.03) kept Peak 2041 (2.28, 1.89, 32.29 ppm): 30 chemical-shift based assignments, quality = 0.655, support = 3.3, residual support = 39.1: * O HB3 PRO 112 - HB2 PRO 112 3.333% * 49.7241% (0.66 10.0 2.81 39.48) = 49.724% kept O HG2 PRO 112 - HB2 PRO 112 3.333% * 49.3415% (0.66 10.0 3.87 39.48) = 49.342% kept HG2 PRO 112 - HB2 PRO 104 3.333% * 0.5471% (0.15 1.0 1.00 3.72) = 0.547% HB2 LYS+ 44 - HB2 PRO 112 3.333% * 0.0461% (0.62 1.0 0.02 0.27) = 0.046% HG3 GLU- 75 - HB2 PRO 112 3.333% * 0.0446% (0.60 1.0 0.02 0.30) = 0.045% HB3 LYS+ 117 - HB2 PRO 112 3.333% * 0.0446% (0.60 1.0 0.02 0.02) = 0.045% HB VAL 80 - HB2 PRO 112 3.333% * 0.0412% (0.55 1.0 0.02 0.02) = 0.041% HG3 GLU- 54 - HB2 PRO 112 3.333% * 0.0230% (0.31 1.0 0.02 0.12) = 0.023% HG3 GLU- 107 - HB2 PRO 112 3.333% * 0.0193% (0.26 1.0 0.02 0.02) = 0.019% HB3 PRO 116 - HB2 PRO 112 3.333% * 0.0159% (0.21 1.0 0.02 0.02) = 0.016% HG2 GLU- 64 - HB2 PRO 112 3.333% * 0.0128% (0.17 1.0 0.02 0.02) = 0.013% HB3 PRO 112 - HB2 PRO 104 3.333% * 0.0110% (0.15 1.0 0.02 3.72) = 0.011% HB3 PRO 112 - HB3 ARG+ 84 3.333% * 0.0106% (0.14 1.0 0.02 0.02) = 0.011% HG2 PRO 112 - HB3 ARG+ 84 3.333% * 0.0106% (0.14 1.0 0.02 0.02) = 0.011% HB2 LYS+ 44 - HB2 PRO 104 3.333% * 0.0102% (0.14 1.0 0.02 0.02) = 0.010% HG3 GLU- 75 - HB2 PRO 104 3.333% * 0.0099% (0.13 1.0 0.02 0.02) = 0.010% HB3 LYS+ 117 - HB2 PRO 104 3.333% * 0.0099% (0.13 1.0 0.02 0.02) = 0.010% HB2 LYS+ 44 - HB3 ARG+ 84 3.333% * 0.0099% (0.13 1.0 0.02 0.02) = 0.010% HG3 GLU- 75 - HB3 ARG+ 84 3.333% * 0.0095% (0.13 1.0 0.02 0.02) = 0.010% HB3 LYS+ 117 - HB3 ARG+ 84 3.333% * 0.0095% (0.13 1.0 0.02 0.02) = 0.010% HB VAL 80 - HB2 PRO 104 3.333% * 0.0091% (0.12 1.0 0.02 0.02) = 0.009% HB VAL 80 - HB3 ARG+ 84 3.333% * 0.0088% (0.12 1.0 0.02 0.02) = 0.009% HG3 GLU- 54 - HB2 PRO 104 3.333% * 0.0051% (0.07 1.0 0.02 0.02) = 0.005% HG3 GLU- 54 - HB3 ARG+ 84 3.333% * 0.0049% (0.07 1.0 0.02 0.02) = 0.005% HG3 GLU- 107 - HB2 PRO 104 3.333% * 0.0043% (0.06 1.0 0.02 0.02) = 0.004% HG3 GLU- 107 - HB3 ARG+ 84 3.333% * 0.0041% (0.06 1.0 0.02 0.02) = 0.004% HB3 PRO 116 - HB2 PRO 104 3.333% * 0.0035% (0.05 1.0 0.02 0.02) = 0.004% HB3 PRO 116 - HB3 ARG+ 84 3.333% * 0.0034% (0.05 1.0 0.02 0.02) = 0.003% HG2 GLU- 64 - HB2 PRO 104 3.333% * 0.0028% (0.04 1.0 0.02 0.02) = 0.003% HG2 GLU- 64 - HB3 ARG+ 84 3.333% * 0.0027% (0.04 1.0 0.02 0.02) = 0.003% Peak 2048 (1.97, 2.29, 32.33 ppm): 65 chemical-shift based assignments, quality = 0.4, support = 3.34, residual support = 23.4: O HG3 PRO 116 - HB3 PRO 116 1.538% * 53.7713% (0.55 10.0 1.00 2.81 16.46) = 53.771% kept * O HG2 PRO 112 - HB3 PRO 112 1.538% * 26.4595% (0.27 10.0 1.00 4.23 39.48) = 26.459% kept O HB2 PRO 86 - HB3 PRO 86 1.538% * 17.9559% (0.18 10.0 1.00 3.97 22.64) = 17.956% kept HB3 GLU- 56 - HB3 PRO 86 1.538% * 0.2186% (0.23 1.0 1.00 0.19 0.02) = 0.219% T HB2 GLU- 75 - HB3 PRO 112 1.538% * 0.1322% (0.14 1.0 10.00 0.02 0.30) = 0.132% HB VAL 73 - HB3 PRO 116 1.538% * 0.0726% (0.74 1.0 1.00 0.02 0.02) = 0.073% HG3 PRO 104 - HB3 PRO 116 1.538% * 0.0700% (0.72 1.0 1.00 0.02 0.02) = 0.070% HB3 GLU- 109 - HB3 PRO 116 1.538% * 0.0642% (0.66 1.0 1.00 0.02 0.02) = 0.064% HB3 GLU- 56 - HB3 PRO 116 1.538% * 0.0642% (0.66 1.0 1.00 0.02 0.02) = 0.064% HB VAL 73 - HB3 PRO 112 1.538% * 0.0582% (0.59 1.0 1.00 0.02 0.41) = 0.058% HB VAL 13 - HB3 PRO 116 1.538% * 0.0566% (0.58 1.0 1.00 0.02 0.02) = 0.057% HG3 PRO 104 - HB3 PRO 112 1.538% * 0.0562% (0.57 1.0 1.00 0.02 3.72) = 0.056% HB3 GLU- 56 - HB3 PRO 112 1.538% * 0.0515% (0.53 1.0 1.00 0.02 0.14) = 0.051% HB3 GLU- 109 - HB3 PRO 112 1.538% * 0.0515% (0.53 1.0 1.00 0.02 0.02) = 0.051% HB2 PRO 86 - HB3 PRO 116 1.538% * 0.0509% (0.52 1.0 1.00 0.02 0.02) = 0.051% HB2 PRO 35 - HB3 PRO 116 1.538% * 0.0479% (0.49 1.0 1.00 0.02 0.02) = 0.048% HB VAL 13 - HB3 PRO 112 1.538% * 0.0454% (0.46 1.0 1.00 0.02 0.02) = 0.045% HG3 PRO 116 - HB3 PRO 112 1.538% * 0.0431% (0.44 1.0 1.00 0.02 0.02) = 0.043% HB2 PRO 86 - HB3 PRO 112 1.538% * 0.0408% (0.42 1.0 1.00 0.02 0.02) = 0.041% HB2 PRO 35 - HB3 PRO 112 1.538% * 0.0384% (0.39 1.0 1.00 0.02 1.75) = 0.038% T HB2 GLU- 75 - HB VAL 80 1.538% * 0.0376% (0.04 1.0 10.00 0.02 0.02) = 0.038% HB2 LYS+ 108 - HB3 PRO 116 1.538% * 0.0360% (0.37 1.0 1.00 0.02 0.02) = 0.036% HG2 PRO 112 - HB3 PRO 116 1.538% * 0.0330% (0.34 1.0 1.00 0.02 0.02) = 0.033% HG3 PRO 31 - HB3 PRO 116 1.538% * 0.0304% (0.31 1.0 1.00 0.02 0.02) = 0.030% HB2 LYS+ 108 - HB3 PRO 112 1.538% * 0.0289% (0.30 1.0 1.00 0.02 0.02) = 0.029% HB3 LYS+ 55 - HB3 PRO 116 1.538% * 0.0278% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB VAL 73 - HB3 PRO 86 1.538% * 0.0256% (0.26 1.0 1.00 0.02 0.02) = 0.026% HG3 PRO 104 - HB3 PRO 86 1.538% * 0.0247% (0.25 1.0 1.00 0.02 0.02) = 0.025% HG3 PRO 31 - HB3 PRO 112 1.538% * 0.0244% (0.25 1.0 1.00 0.02 0.02) = 0.024% HB3 GLU- 109 - HB3 PRO 86 1.538% * 0.0227% (0.23 1.0 1.00 0.02 0.02) = 0.023% HB3 LYS+ 55 - HB3 PRO 112 1.538% * 0.0223% (0.23 1.0 1.00 0.02 0.68) = 0.022% HB VAL 13 - HB3 PRO 86 1.538% * 0.0200% (0.20 1.0 1.00 0.02 0.02) = 0.020% HG3 PRO 116 - HB3 PRO 86 1.538% * 0.0190% (0.19 1.0 1.00 0.02 0.02) = 0.019% HB2 PRO 35 - HB3 PRO 86 1.538% * 0.0169% (0.17 1.0 1.00 0.02 0.02) = 0.017% HB VAL 73 - HB VAL 80 1.538% * 0.0166% (0.17 1.0 1.00 0.02 0.58) = 0.017% HB2 GLU- 75 - HB3 PRO 116 1.538% * 0.0165% (0.17 1.0 1.00 0.02 0.02) = 0.016% T HB2 GLU- 75 - HB3 LYS+ 117 1.538% * 0.0162% (0.02 1.0 10.00 0.02 0.02) = 0.016% HG3 PRO 104 - HB VAL 80 1.538% * 0.0160% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB3 GLU- 56 - HB VAL 80 1.538% * 0.0147% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB3 GLU- 109 - HB VAL 80 1.538% * 0.0147% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB VAL 13 - HB VAL 80 1.538% * 0.0129% (0.13 1.0 1.00 0.02 0.02) = 0.013% HB2 LYS+ 108 - HB3 PRO 86 1.538% * 0.0127% (0.13 1.0 1.00 0.02 0.02) = 0.013% HG3 PRO 116 - HB VAL 80 1.538% * 0.0123% (0.13 1.0 1.00 0.02 0.02) = 0.012% HG2 PRO 112 - HB3 PRO 86 1.538% * 0.0116% (0.12 1.0 1.00 0.02 0.02) = 0.012% HB2 PRO 86 - HB VAL 80 1.538% * 0.0116% (0.12 1.0 1.00 0.02 0.02) = 0.012% HB2 PRO 35 - HB VAL 80 1.538% * 0.0109% (0.11 1.0 1.00 0.02 0.02) = 0.011% HG3 PRO 31 - HB3 PRO 86 1.538% * 0.0107% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB3 LYS+ 55 - HB3 PRO 86 1.538% * 0.0098% (0.10 1.0 1.00 0.02 0.02) = 0.010% HB2 LYS+ 108 - HB VAL 80 1.538% * 0.0082% (0.08 1.0 1.00 0.02 0.02) = 0.008% HG2 PRO 112 - HB VAL 80 1.538% * 0.0075% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB VAL 73 - HB3 LYS+ 117 1.538% * 0.0071% (0.07 1.0 1.00 0.02 0.14) = 0.007% HG3 PRO 31 - HB VAL 80 1.538% * 0.0069% (0.07 1.0 1.00 0.02 0.02) = 0.007% HG3 PRO 104 - HB3 LYS+ 117 1.538% * 0.0069% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB3 LYS+ 55 - HB VAL 80 1.538% * 0.0063% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB3 GLU- 56 - HB3 LYS+ 117 1.538% * 0.0063% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB3 GLU- 109 - HB3 LYS+ 117 1.538% * 0.0063% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB2 GLU- 75 - HB3 PRO 86 1.538% * 0.0058% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB VAL 13 - HB3 LYS+ 117 1.538% * 0.0055% (0.06 1.0 1.00 0.02 0.02) = 0.006% HG3 PRO 116 - HB3 LYS+ 117 1.538% * 0.0053% (0.05 1.0 1.00 0.02 3.37) = 0.005% HB2 PRO 86 - HB3 LYS+ 117 1.538% * 0.0050% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB2 PRO 35 - HB3 LYS+ 117 1.538% * 0.0047% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB2 LYS+ 108 - HB3 LYS+ 117 1.538% * 0.0035% (0.04 1.0 1.00 0.02 0.02) = 0.004% HG2 PRO 112 - HB3 LYS+ 117 1.538% * 0.0032% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG3 PRO 31 - HB3 LYS+ 117 1.538% * 0.0030% (0.03 1.0 1.00 0.02 0.14) = 0.003% HB3 LYS+ 55 - HB3 LYS+ 117 1.538% * 0.0027% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 2049 (1.78, 1.78, 32.51 ppm): 1 diagonal assignment: HB3 LYS+ 63 - HB3 LYS+ 63 (0.27) kept Reference assignment not found: HB3 LYS+ 55 - HB3 LYS+ 55 Peak 2053 (1.81, 1.81, 32.63 ppm): 2 diagonal assignments: * HB3 LYS+ 63 - HB3 LYS+ 63 (0.67) kept HB2 PRO 59 - HB2 PRO 59 (0.09) kept Peak 2054 (1.79, 1.95, 32.54 ppm): 55 chemical-shift based assignments, quality = 0.586, support = 0.51, residual support = 0.182: T HG3 LYS+ 63 - HB2 PRO 116 1.818% * 39.7265% (0.66 10.00 0.44 0.25) = 39.726% kept T HG2 PRO 31 - HB2 PRO 116 1.818% * 31.2435% (0.67 10.00 0.34 0.02) = 31.243% kept HB3 LYS+ 63 - HB2 PRO 116 1.818% * 12.1121% (0.64 1.00 1.37 0.25) = 12.112% kept HB3 LYS+ 63 - HB3 LYS+ 55 1.818% * 5.3805% (0.37 1.00 1.06 0.72) = 5.380% kept T HG2 PRO 31 - HB2 PRO 86 1.818% * 1.6785% (0.05 10.00 0.27 0.02) = 1.678% kept T HG2 PRO 31 - HB3 LYS+ 55 1.818% * 1.0583% (0.39 10.00 0.02 0.02) = 1.058% kept T HG3 LYS+ 63 - HB3 LYS+ 55 1.818% * 1.0374% (0.38 10.00 0.02 0.72) = 1.037% kept T HG2 PRO 31 - HB2 PRO 35 1.818% * 1.0309% (0.38 10.00 0.02 0.02) = 1.031% kept T HG3 LYS+ 63 - HB2 PRO 35 1.818% * 1.0105% (0.37 10.00 0.02 0.02) = 1.010% kept HG2 ARG+ 84 - HB2 PRO 35 1.818% * 0.8876% (0.24 1.00 0.27 0.02) = 0.888% HB3 GLU- 18 - HB2 GLU- 75 1.818% * 0.8537% (0.17 1.00 0.36 0.02) = 0.854% T HG2 PRO 31 - HB2 GLU- 75 1.818% * 0.8095% (0.30 10.00 0.02 0.02) = 0.810% T HG3 LYS+ 63 - HB2 GLU- 75 1.818% * 0.7935% (0.29 10.00 0.02 0.02) = 0.793% HB3 LYS+ 108 - HB2 PRO 116 1.818% * 0.1763% (0.64 1.00 0.02 0.02) = 0.176% HG3 ARG+ 53 - HB2 PRO 116 1.818% * 0.1596% (0.58 1.00 0.02 0.02) = 0.160% HB2 ARG+ 84 - HB2 PRO 116 1.818% * 0.1236% (0.45 1.00 0.02 0.02) = 0.124% T HG3 LYS+ 63 - HB2 PRO 86 1.818% * 0.1220% (0.04 10.00 0.02 0.02) = 0.122% HG2 ARG+ 84 - HB2 PRO 116 1.818% * 0.1159% (0.42 1.00 0.02 0.02) = 0.116% HB3 GLU- 18 - HB2 PRO 116 1.818% * 0.1082% (0.39 1.00 0.02 0.02) = 0.108% HB3 LYS+ 108 - HB3 LYS+ 55 1.818% * 0.1012% (0.37 1.00 0.02 0.02) = 0.101% HB3 LYS+ 108 - HB2 PRO 35 1.818% * 0.0986% (0.36 1.00 0.02 0.02) = 0.099% HB3 LYS+ 63 - HB2 PRO 35 1.818% * 0.0986% (0.36 1.00 0.02 0.02) = 0.099% HG3 ARG+ 53 - HB3 LYS+ 55 1.818% * 0.0916% (0.33 1.00 0.02 0.34) = 0.092% HG3 ARG+ 53 - HB2 PRO 35 1.818% * 0.0892% (0.33 1.00 0.02 0.02) = 0.089% HB3 LYS+ 63 - HB2 GLU- 75 1.818% * 0.0774% (0.28 1.00 0.02 0.02) = 0.077% HB3 LYS+ 108 - HB2 GLU- 75 1.818% * 0.0774% (0.28 1.00 0.02 0.02) = 0.077% HB2 ARG+ 84 - HB3 LYS+ 55 1.818% * 0.0709% (0.26 1.00 0.02 0.02) = 0.071% HG3 ARG+ 53 - HB2 GLU- 75 1.818% * 0.0701% (0.26 1.00 0.02 0.02) = 0.070% HB2 ARG+ 84 - HB2 PRO 35 1.818% * 0.0691% (0.25 1.00 0.02 0.02) = 0.069% HG2 ARG+ 84 - HB3 LYS+ 55 1.818% * 0.0665% (0.24 1.00 0.02 0.02) = 0.067% HB2 GLU- 109 - HB2 PRO 116 1.818% * 0.0652% (0.24 1.00 0.02 0.02) = 0.065% HB3 GLU- 18 - HB3 LYS+ 55 1.818% * 0.0621% (0.23 1.00 0.02 0.02) = 0.062% HB3 GLU- 18 - HB2 PRO 35 1.818% * 0.0605% (0.22 1.00 0.02 0.02) = 0.060% HB2 ARG+ 84 - HB2 GLU- 75 1.818% * 0.0543% (0.20 1.00 0.02 0.02) = 0.054% HG2 ARG+ 84 - HB2 GLU- 75 1.818% * 0.0509% (0.19 1.00 0.02 0.02) = 0.051% HD3 LYS+ 72 - HB2 PRO 116 1.818% * 0.0476% (0.17 1.00 0.02 0.02) = 0.048% HB2 GLU- 109 - HB3 LYS+ 55 1.818% * 0.0374% (0.14 1.00 0.02 0.02) = 0.037% HB2 GLU- 109 - HB2 PRO 35 1.818% * 0.0364% (0.13 1.00 0.02 0.02) = 0.036% HG3 LYS+ 108 - HB2 PRO 116 1.818% * 0.0295% (0.11 1.00 0.02 0.02) = 0.029% HB2 GLU- 109 - HB2 GLU- 75 1.818% * 0.0286% (0.10 1.00 0.02 0.02) = 0.029% HD3 LYS+ 72 - HB3 LYS+ 55 1.818% * 0.0273% (0.10 1.00 0.02 0.02) = 0.027% HD3 LYS+ 72 - HB2 PRO 35 1.818% * 0.0266% (0.10 1.00 0.02 0.02) = 0.027% HD3 LYS+ 72 - HB2 GLU- 75 1.818% * 0.0209% (0.08 1.00 0.02 0.02) = 0.021% HG3 LYS+ 108 - HB3 LYS+ 55 1.818% * 0.0169% (0.06 1.00 0.02 0.02) = 0.017% HG3 LYS+ 108 - HB2 PRO 35 1.818% * 0.0165% (0.06 1.00 0.02 0.02) = 0.016% HG3 LYS+ 108 - HB2 GLU- 75 1.818% * 0.0129% (0.05 1.00 0.02 0.02) = 0.013% HB3 LYS+ 63 - HB2 PRO 86 1.818% * 0.0119% (0.04 1.00 0.02 0.02) = 0.012% HB3 LYS+ 108 - HB2 PRO 86 1.818% * 0.0119% (0.04 1.00 0.02 0.02) = 0.012% HG3 ARG+ 53 - HB2 PRO 86 1.818% * 0.0108% (0.04 1.00 0.02 0.02) = 0.011% HB2 ARG+ 84 - HB2 PRO 86 1.818% * 0.0083% (0.03 1.00 0.02 0.02) = 0.008% HG2 ARG+ 84 - HB2 PRO 86 1.818% * 0.0078% (0.03 1.00 0.02 0.02) = 0.008% HB3 GLU- 18 - HB2 PRO 86 1.818% * 0.0073% (0.03 1.00 0.02 0.02) = 0.007% HB2 GLU- 109 - HB2 PRO 86 1.818% * 0.0044% (0.02 1.00 0.02 0.02) = 0.004% HD3 LYS+ 72 - HB2 PRO 86 1.818% * 0.0032% (0.01 1.00 0.02 0.02) = 0.003% HG3 LYS+ 108 - HB2 PRO 86 1.818% * 0.0020% (0.01 1.00 0.02 0.02) = 0.002% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 2055 (1.56, 1.96, 32.49 ppm): 45 chemical-shift based assignments, quality = 0.204, support = 0.595, residual support = 0.19: T HG LEU 17 - HB2 GLU- 75 2.222% * 55.8559% (0.20 10.00 0.75 0.25) = 55.856% kept HB3 LEU 90 - HB2 GLU- 75 2.222% * 9.2036% (0.26 1.00 0.95 0.39) = 9.204% kept T HG LEU 17 - HB2 PRO 35 2.222% * 5.9396% (0.21 10.00 0.08 0.02) = 5.940% kept QB ALA 42 - HB2 GLU- 75 2.222% * 4.9459% (0.26 1.00 0.51 0.02) = 4.946% kept HD3 LYS+ 60 - HB2 GLU- 75 2.222% * 4.4106% (0.22 1.00 0.54 0.18) = 4.411% kept HB ILE 19 - HB2 PRO 35 2.222% * 3.8346% (0.20 1.00 0.52 0.02) = 3.835% kept HD3 LYS+ 60 - HB3 LYS+ 55 2.222% * 2.7596% (0.20 1.00 0.37 0.02) = 2.760% kept T HG LEU 17 - HB2 PRO 116 2.222% * 2.7532% (0.37 10.00 0.02 0.02) = 2.753% kept HB ILE 19 - HB2 PRO 116 2.222% * 2.4123% (0.35 1.00 0.18 0.02) = 2.412% kept T HG LEU 17 - HB3 LYS+ 55 2.222% * 1.3672% (0.18 10.00 0.02 0.02) = 1.367% kept HG12 ILE 29 - HB2 PRO 116 2.222% * 0.3603% (0.48 1.00 0.02 0.02) = 0.360% QB ALA 42 - HB2 PRO 116 2.222% * 0.3603% (0.48 1.00 0.02 0.02) = 0.360% HB3 LEU 90 - HB2 PRO 116 2.222% * 0.3571% (0.48 1.00 0.02 0.02) = 0.357% HG13 ILE 29 - HB2 PRO 116 2.222% * 0.3408% (0.46 1.00 0.02 0.02) = 0.341% HD3 LYS+ 81 - HB2 PRO 116 2.222% * 0.3231% (0.43 1.00 0.02 0.02) = 0.323% QG2 THR 24 - HB2 PRO 116 2.222% * 0.3125% (0.42 1.00 0.02 0.02) = 0.312% HD3 LYS+ 60 - HB2 PRO 116 2.222% * 0.3009% (0.40 1.00 0.02 0.02) = 0.301% QB ALA 42 - HB2 PRO 35 2.222% * 0.2040% (0.27 1.00 0.02 0.02) = 0.204% HG12 ILE 29 - HB2 PRO 35 2.222% * 0.2040% (0.27 1.00 0.02 0.02) = 0.204% HB3 LEU 90 - HB2 PRO 35 2.222% * 0.2022% (0.27 1.00 0.02 0.02) = 0.202% HG12 ILE 29 - HB2 GLU- 75 2.222% * 0.1949% (0.26 1.00 0.02 0.02) = 0.195% HG13 ILE 29 - HB2 PRO 35 2.222% * 0.1930% (0.26 1.00 0.02 0.02) = 0.193% HG13 ILE 29 - HB2 GLU- 75 2.222% * 0.1844% (0.25 1.00 0.02 0.02) = 0.184% HD3 LYS+ 81 - HB2 PRO 35 2.222% * 0.1829% (0.24 1.00 0.02 0.02) = 0.183% QB ALA 42 - HB3 LYS+ 55 2.222% * 0.1789% (0.24 1.00 0.02 0.02) = 0.179% HG12 ILE 29 - HB3 LYS+ 55 2.222% * 0.1789% (0.24 1.00 0.02 0.02) = 0.179% HB3 LEU 90 - HB3 LYS+ 55 2.222% * 0.1773% (0.24 1.00 0.02 0.02) = 0.177% QG2 THR 24 - HB2 PRO 35 2.222% * 0.1769% (0.24 1.00 0.02 0.02) = 0.177% HD3 LYS+ 81 - HB2 GLU- 75 2.222% * 0.1748% (0.23 1.00 0.02 0.02) = 0.175% HD3 LYS+ 60 - HB2 PRO 35 2.222% * 0.1704% (0.23 1.00 0.02 0.02) = 0.170% HG13 ILE 29 - HB3 LYS+ 55 2.222% * 0.1692% (0.23 1.00 0.02 0.02) = 0.169% QG2 THR 24 - HB2 GLU- 75 2.222% * 0.1691% (0.23 1.00 0.02 0.02) = 0.169% HD3 LYS+ 81 - HB3 LYS+ 55 2.222% * 0.1604% (0.21 1.00 0.02 0.02) = 0.160% QG2 THR 24 - HB3 LYS+ 55 2.222% * 0.1552% (0.21 1.00 0.02 0.02) = 0.155% HB ILE 19 - HB2 GLU- 75 2.222% * 0.1415% (0.19 1.00 0.02 0.02) = 0.142% HB ILE 19 - HB3 LYS+ 55 2.222% * 0.1299% (0.17 1.00 0.02 0.02) = 0.130% HG12 ILE 29 - HB2 PRO 86 2.222% * 0.1015% (0.14 1.00 0.02 0.02) = 0.102% QB ALA 42 - HB2 PRO 86 2.222% * 0.1015% (0.14 1.00 0.02 0.02) = 0.102% HB3 LEU 90 - HB2 PRO 86 2.222% * 0.1006% (0.13 1.00 0.02 0.02) = 0.101% HG13 ILE 29 - HB2 PRO 86 2.222% * 0.0960% (0.13 1.00 0.02 0.02) = 0.096% HD3 LYS+ 81 - HB2 PRO 86 2.222% * 0.0910% (0.12 1.00 0.02 0.02) = 0.091% QG2 THR 24 - HB2 PRO 86 2.222% * 0.0881% (0.12 1.00 0.02 0.02) = 0.088% HD3 LYS+ 60 - HB2 PRO 86 2.222% * 0.0848% (0.11 1.00 0.02 0.02) = 0.085% HG LEU 17 - HB2 PRO 86 2.222% * 0.0776% (0.10 1.00 0.02 0.02) = 0.078% HB ILE 19 - HB2 PRO 86 2.222% * 0.0737% (0.10 1.00 0.02 0.02) = 0.074% Peak 2056 (1.44, 1.44, 32.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2057 (1.44, 1.78, 32.55 ppm): 26 chemical-shift based assignments, quality = 0.47, support = 1.0, residual support = 0.963: HG3 LYS+ 55 - HB3 LYS+ 63 3.846% * 31.8113% (0.57 1.32 0.72) = 31.811% kept HD3 LYS+ 113 - HB3 LYS+ 63 3.846% * 21.5307% (0.55 0.92 1.30) = 21.531% kept HG3 LYS+ 60 - HB3 LYS+ 63 3.846% * 20.5454% (0.33 1.45 1.04) = 20.545% kept HG3 LYS+ 113 - HB3 LYS+ 63 3.846% * 11.6687% (0.60 0.46 1.30) = 11.669% kept HD3 LYS+ 44 - HB3 LYS+ 63 3.846% * 5.1792% (0.36 0.34 1.25) = 5.179% kept HG2 PRO 59 - HB3 LYS+ 63 3.846% * 2.8167% (0.33 0.20 0.02) = 2.817% kept HG3 PRO 52 - HB3 LYS+ 63 3.846% * 2.0504% (0.11 0.44 1.23) = 2.050% kept HG3 LYS+ 55 - HB2 LYS+ 117 3.846% * 0.8086% (0.20 0.10 0.02) = 0.809% HG LEU 90 - HB3 LYS+ 63 3.846% * 0.5362% (0.63 0.02 0.02) = 0.536% HG3 ARG+ 22 - HB3 LYS+ 63 3.846% * 0.4819% (0.57 0.02 0.02) = 0.482% QG2 THR 38 - HB3 LYS+ 63 3.846% * 0.4107% (0.49 0.02 0.02) = 0.411% QB ALA 91 - HB3 LYS+ 63 3.846% * 0.3691% (0.44 0.02 0.02) = 0.369% HG LEU 90 - HB2 LYS+ 117 3.846% * 0.1841% (0.22 0.02 0.02) = 0.184% HG13 ILE 48 - HB3 LYS+ 63 3.846% * 0.1833% (0.22 0.02 0.02) = 0.183% HG3 LYS+ 113 - HB2 LYS+ 117 3.846% * 0.1745% (0.21 0.02 0.02) = 0.175% HG3 ARG+ 22 - HB2 LYS+ 117 3.846% * 0.1655% (0.20 0.02 0.02) = 0.165% HD3 LYS+ 113 - HB2 LYS+ 117 3.846% * 0.1601% (0.19 0.02 0.02) = 0.160% HG3 PRO 52 - HB2 LYS+ 117 3.846% * 0.1513% (0.04 0.09 0.02) = 0.151% QG2 THR 38 - HB2 LYS+ 117 3.846% * 0.1410% (0.17 0.02 0.40) = 0.141% QB ALA 91 - HB2 LYS+ 117 3.846% * 0.1267% (0.15 0.02 0.02) = 0.127% QB ALA 37 - HB3 LYS+ 63 3.846% * 0.1063% (0.13 0.02 0.02) = 0.106% HD3 LYS+ 44 - HB2 LYS+ 117 3.846% * 0.1045% (0.12 0.02 0.02) = 0.104% HG3 LYS+ 60 - HB2 LYS+ 117 3.846% * 0.0971% (0.11 0.02 0.02) = 0.097% HG2 PRO 59 - HB2 LYS+ 117 3.846% * 0.0971% (0.11 0.02 0.02) = 0.097% HG13 ILE 48 - HB2 LYS+ 117 3.846% * 0.0629% (0.07 0.02 0.02) = 0.063% QB ALA 37 - HB2 LYS+ 117 3.846% * 0.0365% (0.04 0.02 0.02) = 0.037% Reference assignment not found: HG3 LYS+ 55 - HB3 LYS+ 55 Peak 2058 (1.37, 1.95, 32.55 ppm): 40 chemical-shift based assignments, quality = 0.491, support = 0.283, residual support = 0.234: T HB3 LYS+ 20 - HB2 PRO 116 2.500% * 78.1307% (0.57 10.00 0.33 0.29) = 78.131% kept T HB3 LYS+ 20 - HB2 PRO 35 2.500% * 3.5194% (0.42 10.00 0.02 0.02) = 3.519% kept T HB3 LYS+ 20 - HB3 LYS+ 55 2.500% * 3.3687% (0.40 10.00 0.02 0.02) = 3.369% kept HG13 ILE 68 - HB2 PRO 35 2.500% * 3.1900% (0.22 1.00 0.34 0.02) = 3.190% kept HD3 LYS+ 20 - HB2 PRO 116 2.500% * 2.4539% (0.10 1.00 0.58 0.29) = 2.454% kept T HB3 LYS+ 20 - HB2 GLU- 75 2.500% * 2.2677% (0.27 10.00 0.02 0.02) = 2.268% kept QB ALA 11 - HB2 PRO 116 2.500% * 0.4794% (0.58 1.00 0.02 0.02) = 0.479% HB3 LEU 17 - HB2 PRO 116 2.500% * 0.4309% (0.52 1.00 0.02 0.02) = 0.431% HG2 LYS+ 78 - HB2 PRO 116 2.500% * 0.4309% (0.52 1.00 0.02 0.02) = 0.431% HG3 LYS+ 81 - HB2 PRO 116 2.500% * 0.3848% (0.46 1.00 0.02 0.02) = 0.385% QB ALA 11 - HB2 PRO 35 2.500% * 0.3543% (0.43 1.00 0.02 0.02) = 0.354% QG2 THR 39 - HB2 PRO 116 2.500% * 0.3489% (0.42 1.00 0.02 0.02) = 0.349% QB ALA 11 - HB3 LYS+ 55 2.500% * 0.3391% (0.41 1.00 0.02 0.02) = 0.339% HB3 LEU 17 - HB2 PRO 35 2.500% * 0.3184% (0.38 1.00 0.02 0.02) = 0.318% HG2 LYS+ 78 - HB2 PRO 35 2.500% * 0.3184% (0.38 1.00 0.02 0.02) = 0.318% HB3 LEU 17 - HB3 LYS+ 55 2.500% * 0.3048% (0.37 1.00 0.02 0.02) = 0.305% HG2 LYS+ 78 - HB3 LYS+ 55 2.500% * 0.3048% (0.37 1.00 0.02 0.02) = 0.305% HG3 LYS+ 81 - HB2 PRO 35 2.500% * 0.2843% (0.34 1.00 0.02 0.02) = 0.284% HG3 LYS+ 81 - HB3 LYS+ 55 2.500% * 0.2722% (0.33 1.00 0.02 0.02) = 0.272% QG2 THR 39 - HB2 PRO 35 2.500% * 0.2578% (0.31 1.00 0.02 0.02) = 0.258% HG13 ILE 68 - HB2 PRO 116 2.500% * 0.2528% (0.30 1.00 0.02 0.02) = 0.253% QG2 THR 39 - HB3 LYS+ 55 2.500% * 0.2468% (0.30 1.00 0.02 0.02) = 0.247% QB ALA 11 - HB2 GLU- 75 2.500% * 0.2283% (0.27 1.00 0.02 0.02) = 0.228% HB3 LEU 17 - HB2 GLU- 75 2.500% * 0.2052% (0.25 1.00 0.02 0.25) = 0.205% HG2 LYS+ 78 - HB2 GLU- 75 2.500% * 0.2052% (0.25 1.00 0.02 0.02) = 0.205% HG3 LYS+ 81 - HB2 GLU- 75 2.500% * 0.1832% (0.22 1.00 0.02 0.02) = 0.183% HG13 ILE 68 - HB3 LYS+ 55 2.500% * 0.1788% (0.21 1.00 0.02 0.02) = 0.179% QG2 THR 39 - HB2 GLU- 75 2.500% * 0.1661% (0.20 1.00 0.02 0.02) = 0.166% HG13 ILE 68 - HB2 GLU- 75 2.500% * 0.1204% (0.14 1.00 0.02 0.02) = 0.120% HD3 LYS+ 20 - HB2 PRO 35 2.500% * 0.0622% (0.07 1.00 0.02 0.02) = 0.062% HD3 LYS+ 20 - HB3 LYS+ 55 2.500% * 0.0595% (0.07 1.00 0.02 0.02) = 0.060% QB ALA 11 - HB2 PRO 86 2.500% * 0.0484% (0.06 1.00 0.02 0.11) = 0.048% HB3 LYS+ 20 - HB2 PRO 86 2.500% * 0.0481% (0.06 1.00 0.02 0.02) = 0.048% HB3 LEU 17 - HB2 PRO 86 2.500% * 0.0435% (0.05 1.00 0.02 0.02) = 0.044% HG2 LYS+ 78 - HB2 PRO 86 2.500% * 0.0435% (0.05 1.00 0.02 0.02) = 0.044% HD3 LYS+ 20 - HB2 GLU- 75 2.500% * 0.0401% (0.05 1.00 0.02 0.02) = 0.040% HG3 LYS+ 81 - HB2 PRO 86 2.500% * 0.0389% (0.05 1.00 0.02 0.02) = 0.039% QG2 THR 39 - HB2 PRO 86 2.500% * 0.0353% (0.04 1.00 0.02 0.02) = 0.035% HG13 ILE 68 - HB2 PRO 86 2.500% * 0.0255% (0.03 1.00 0.02 0.02) = 0.026% HD3 LYS+ 20 - HB2 PRO 86 2.500% * 0.0085% (0.01 1.00 0.02 0.02) = 0.009% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 2059 (1.15, 1.90, 32.60 ppm): 21 chemical-shift based assignments, quality = 0.12, support = 0.921, residual support = 4.9: HD3 LYS+ 111 - HB2 PRO 112 4.762% * 47.6084% (0.12 0.71 0.17) = 47.608% kept HB2 LEU 74 - HB2 GLU- 75 4.762% * 17.2363% (0.01 3.27 27.89) = 17.236% kept HG3 LYS+ 32 - HB2 PRO 116 4.762% * 6.7813% (0.10 0.13 0.02) = 6.781% kept QB ALA 33 - HB2 PRO 112 4.762% * 4.0024% (0.36 0.02 0.02) = 4.002% kept HG3 PRO 59 - HB2 PRO 112 4.762% * 3.6216% (0.33 0.02 0.02) = 3.622% kept HG3 PRO 59 - HB2 GLU- 75 4.762% * 3.1907% (0.04 0.16 0.22) = 3.191% kept HB2 LEU 43 - HB2 PRO 112 4.762% * 2.6298% (0.24 0.02 0.02) = 2.630% kept QB ALA 33 - HB2 PRO 116 4.762% * 2.3950% (0.22 0.02 0.02) = 2.395% kept HG3 PRO 59 - HB2 PRO 116 4.762% * 2.1671% (0.20 0.02 0.02) = 2.167% kept QG2 THR 106 - HB2 PRO 112 4.762% * 2.1105% (0.19 0.02 0.02) = 2.110% kept HG3 LYS+ 32 - HB2 PRO 112 4.762% * 1.7825% (0.16 0.02 0.02) = 1.782% kept HB2 LEU 43 - HB2 PRO 116 4.762% * 1.5737% (0.14 0.02 0.02) = 1.574% kept QG2 THR 106 - HB2 PRO 116 4.762% * 1.2629% (0.12 0.02 0.02) = 1.263% kept HB2 LEU 74 - HB2 PRO 112 4.762% * 0.9653% (0.09 0.02 0.48) = 0.965% HD3 LYS+ 111 - HB2 PRO 116 4.762% * 0.8008% (0.07 0.02 0.02) = 0.801% HB2 LEU 74 - HB2 PRO 116 4.762% * 0.5776% (0.05 0.02 0.02) = 0.578% QB ALA 33 - HB2 GLU- 75 4.762% * 0.4366% (0.04 0.02 0.02) = 0.437% HB2 LEU 43 - HB2 GLU- 75 4.762% * 0.2869% (0.03 0.02 0.02) = 0.287% QG2 THR 106 - HB2 GLU- 75 4.762% * 0.2302% (0.02 0.02 0.02) = 0.230% HG3 LYS+ 32 - HB2 GLU- 75 4.762% * 0.1944% (0.02 0.02 0.02) = 0.194% HD3 LYS+ 111 - HB2 GLU- 75 4.762% * 0.1460% (0.01 0.02 0.02) = 0.146% Peak 2060 (0.92, 2.13, 32.57 ppm): 42 chemical-shift based assignments, quality = 0.0861, support = 1.9, residual support = 13.4: * O QG2 VAL 87 - HB VAL 87 2.381% * 63.8144% (0.07 10.0 2.42 20.87) = 63.814% kept HG12 ILE 68 - HB3 GLU- 75 2.381% * 7.6839% (0.24 1.0 0.67 0.02) = 7.684% kept QD1 LEU 67 - HB3 GLU- 75 2.381% * 7.5046% (0.10 1.0 1.55 0.26) = 7.505% kept QG2 VAL 40 - HB3 GLU- 75 2.381% * 6.7898% (0.07 1.0 2.07 0.87) = 6.790% kept QG1 VAL 47 - HB3 GLU- 75 2.381% * 3.7581% (0.08 1.0 0.94 0.02) = 3.758% kept HG3 LYS+ 117 - HB3 GLU- 75 2.381% * 2.3260% (0.12 1.0 0.41 0.02) = 2.326% kept HG3 LYS+ 117 - HB VAL 87 2.381% * 1.6545% (0.12 1.0 0.30 0.02) = 1.654% kept QG2 VAL 80 - HB3 GLU- 75 2.381% * 1.0255% (0.25 1.0 0.09 0.02) = 1.025% kept QD1 LEU 17 - HB3 GLU- 75 2.381% * 1.0232% (0.19 1.0 0.11 0.25) = 1.023% kept QG2 VAL 73 - HB3 GLU- 75 2.381% * 0.8381% (0.07 1.0 0.26 0.02) = 0.838% QD1 LEU 67 - HB VAL 87 2.381% * 0.8234% (0.10 1.0 0.17 0.02) = 0.823% QG2 VAL 40 - HB VAL 87 2.381% * 0.2416% (0.07 1.0 0.08 0.02) = 0.242% HG3 LYS+ 110 - HB3 GLU- 75 2.381% * 0.2350% (0.25 1.0 0.02 0.02) = 0.235% HG3 LYS+ 110 - HB VAL 87 2.381% * 0.2290% (0.24 1.0 0.02 0.02) = 0.229% QG2 VAL 80 - HB VAL 87 2.381% * 0.2275% (0.24 1.0 0.02 0.02) = 0.227% HG12 ILE 68 - HB VAL 87 2.381% * 0.2250% (0.24 1.0 0.02 0.02) = 0.225% QG2 VAL 105 - HB3 GLU- 75 2.381% * 0.1886% (0.20 1.0 0.02 0.02) = 0.189% QG2 VAL 105 - HB VAL 87 2.381% * 0.1838% (0.19 1.0 0.02 0.02) = 0.184% QD1 LEU 17 - HB VAL 87 2.381% * 0.1754% (0.18 1.0 0.02 0.02) = 0.175% QG1 VAL 105 - HB3 GLU- 75 2.381% * 0.1710% (0.18 1.0 0.02 0.02) = 0.171% QG1 VAL 105 - HB VAL 87 2.381% * 0.1667% (0.18 1.0 0.02 0.02) = 0.167% QG2 VAL 62 - HB3 GLU- 75 2.381% * 0.0884% (0.09 1.0 0.02 0.02) = 0.088% QG2 VAL 62 - HB VAL 87 2.381% * 0.0861% (0.09 1.0 0.02 0.02) = 0.086% QG1 VAL 47 - HB VAL 87 2.381% * 0.0783% (0.08 1.0 0.02 0.02) = 0.078% QG2 VAL 87 - HB3 GLU- 75 2.381% * 0.0655% (0.07 1.0 0.02 0.02) = 0.065% QG2 VAL 73 - HB VAL 87 2.381% * 0.0638% (0.07 1.0 0.02 0.02) = 0.064% QG2 ILE 29 - HB3 GLU- 75 2.381% * 0.0587% (0.06 1.0 0.02 0.02) = 0.059% QG2 ILE 29 - HB VAL 87 2.381% * 0.0572% (0.06 1.0 0.02 0.02) = 0.057% HG3 LYS+ 110 - HB2 MET 118 2.381% * 0.0272% (0.03 1.0 0.02 0.02) = 0.027% QG2 VAL 80 - HB2 MET 118 2.381% * 0.0270% (0.03 1.0 0.02 0.02) = 0.027% HG12 ILE 68 - HB2 MET 118 2.381% * 0.0267% (0.03 1.0 0.02 0.02) = 0.027% QG2 VAL 105 - HB2 MET 118 2.381% * 0.0218% (0.02 1.0 0.02 0.02) = 0.022% QD1 LEU 17 - HB2 MET 118 2.381% * 0.0208% (0.02 1.0 0.02 0.02) = 0.021% QG1 VAL 105 - HB2 MET 118 2.381% * 0.0198% (0.02 1.0 0.02 0.02) = 0.020% HG3 LYS+ 117 - HB2 MET 118 2.381% * 0.0133% (0.01 1.0 0.02 0.83) = 0.013% QD1 LEU 67 - HB2 MET 118 2.381% * 0.0112% (0.01 1.0 0.02 0.02) = 0.011% QG2 VAL 62 - HB2 MET 118 2.381% * 0.0102% (0.01 1.0 0.02 0.02) = 0.010% QG1 VAL 47 - HB2 MET 118 2.381% * 0.0093% (0.01 1.0 0.02 0.02) = 0.009% QG2 VAL 73 - HB2 MET 118 2.381% * 0.0076% (0.01 1.0 0.02 0.02) = 0.008% QG2 VAL 87 - HB2 MET 118 2.381% * 0.0076% (0.01 1.0 0.02 0.02) = 0.008% QG2 VAL 40 - HB2 MET 118 2.381% * 0.0076% (0.01 1.0 0.02 0.02) = 0.008% QG2 ILE 29 - HB2 MET 118 2.381% * 0.0068% (0.01 1.0 0.02 0.02) = 0.007% Peak 2061 (0.72, 1.44, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2062 (8.77, 2.05, 32.16 ppm): 12 chemical-shift based assignments, quality = 0.165, support = 2.81, residual support = 26.0: * O HN VAL 62 - HB VAL 62 8.333% * 79.5258% (0.14 10.0 3.22 32.46) = 79.526% kept HN SER 69 - HB3 GLU- 75 8.333% * 11.3760% (0.29 1.0 1.42 0.43) = 11.376% kept HN THR 95 - HB3 GLU- 75 8.333% * 4.1763% (0.38 1.0 0.39 0.02) = 4.176% kept HN VAL 62 - HB3 GLU- 64 8.333% * 3.2933% (0.05 1.0 2.28 3.47) = 3.293% kept HN PHE 34 - HB VAL 62 8.333% * 0.9634% (0.19 1.0 0.19 0.02) = 0.963% HN PHE 34 - HB3 GLU- 75 8.333% * 0.2210% (0.40 1.0 0.02 0.02) = 0.221% HN VAL 62 - HB3 GLU- 75 8.333% * 0.1712% (0.31 1.0 0.02 0.02) = 0.171% HN THR 95 - HB VAL 62 8.333% * 0.0984% (0.18 1.0 0.02 0.02) = 0.098% HN SER 69 - HB VAL 62 8.333% * 0.0746% (0.13 1.0 0.02 0.02) = 0.075% HN PHE 34 - HB3 GLU- 64 8.333% * 0.0372% (0.07 1.0 0.02 0.02) = 0.037% HN THR 95 - HB3 GLU- 64 8.333% * 0.0357% (0.06 1.0 0.02 0.02) = 0.036% HN SER 69 - HB3 GLU- 64 8.333% * 0.0270% (0.05 1.0 0.02 0.02) = 0.027% Peak 2063 (8.60, 2.27, 32.03 ppm): 8 chemical-shift based assignments, quality = 0.665, support = 3.23, residual support = 22.9: * O HN VAL 80 - HB VAL 80 12.500% * 89.1663% (0.64 10.0 3.48 25.63) = 89.166% kept HN LYS+ 20 - HB VAL 80 12.500% * 8.7904% (0.97 1.0 1.30 0.02) = 8.790% kept HN VAL 73 - HB VAL 80 12.500% * 1.8268% (0.48 1.0 0.54 0.58) = 1.827% kept HN THR 39 - HB VAL 80 12.500% * 0.0947% (0.68 1.0 0.02 1.10) = 0.095% HN LYS+ 20 - HB3 PRO 112 12.500% * 0.0426% (0.31 1.0 0.02 0.02) = 0.043% HN THR 39 - HB3 PRO 112 12.500% * 0.0299% (0.21 1.0 0.02 0.02) = 0.030% HN VAL 80 - HB3 PRO 112 12.500% * 0.0281% (0.20 1.0 0.02 0.02) = 0.028% HN VAL 73 - HB3 PRO 112 12.500% * 0.0212% (0.15 1.0 0.02 0.41) = 0.021% Peak 2066 (4.39, 2.18, 32.14 ppm): 30 chemical-shift based assignments, quality = 0.672, support = 3.56, residual support = 35.5: * O T HA PRO 104 - HB3 PRO 104 3.333% * 91.1979% (0.72 10.0 10.00 3.87 38.96) = 91.198% kept T HA THR 95 - HB3 GLU- 75 3.333% * 5.6871% (0.17 1.0 10.00 0.53 0.02) = 5.687% kept T HA THR 95 - HB3 PRO 104 3.333% * 1.0490% (0.82 1.0 10.00 0.02 0.02) = 1.049% kept T HA PRO 112 - HB3 PRO 104 3.333% * 0.6608% (0.52 1.0 10.00 0.02 3.72) = 0.661% T HA PRO 104 - HB3 GLU- 75 3.333% * 0.1883% (0.15 1.0 10.00 0.02 0.02) = 0.188% T HA PRO 112 - HB3 GLU- 75 3.333% * 0.1364% (0.11 1.0 10.00 0.02 0.30) = 0.136% HA SER 88 - HB3 PRO 104 3.333% * 0.1245% (0.98 1.0 1.00 0.02 0.02) = 0.124% HA ALA 91 - HB3 PRO 104 3.333% * 0.1188% (0.93 1.0 1.00 0.02 0.02) = 0.119% HA ASN 57 - HB3 PRO 104 3.333% * 0.1089% (0.86 1.0 1.00 0.02 0.02) = 0.109% HA SER 27 - HB3 PRO 104 3.333% * 0.0960% (0.75 1.0 1.00 0.02 0.15) = 0.096% HA ALA 37 - HB3 PRO 104 3.333% * 0.0912% (0.72 1.0 1.00 0.02 0.02) = 0.091% HA LYS+ 60 - HB3 PRO 104 3.333% * 0.0762% (0.60 1.0 1.00 0.02 0.02) = 0.076% HA TRP 51 - HB3 PRO 104 3.333% * 0.0711% (0.56 1.0 1.00 0.02 0.02) = 0.071% HA PRO 116 - HB3 PRO 104 3.333% * 0.0563% (0.44 1.0 1.00 0.02 0.02) = 0.056% HA PRO 86 - HB3 PRO 104 3.333% * 0.0471% (0.37 1.0 1.00 0.02 0.02) = 0.047% HB THR 61 - HB3 PRO 104 3.333% * 0.0428% (0.34 1.0 1.00 0.02 0.02) = 0.043% HA2 GLY 26 - HB3 PRO 104 3.333% * 0.0313% (0.25 1.0 1.00 0.02 0.02) = 0.031% HA HIS+ 14 - HB3 PRO 104 3.333% * 0.0313% (0.25 1.0 1.00 0.02 0.02) = 0.031% HA SER 88 - HB3 GLU- 75 3.333% * 0.0257% (0.20 1.0 1.00 0.02 0.02) = 0.026% HA ALA 91 - HB3 GLU- 75 3.333% * 0.0245% (0.19 1.0 1.00 0.02 0.12) = 0.025% HA ASN 57 - HB3 GLU- 75 3.333% * 0.0225% (0.18 1.0 1.00 0.02 0.02) = 0.022% HA SER 27 - HB3 GLU- 75 3.333% * 0.0198% (0.16 1.0 1.00 0.02 0.02) = 0.020% HA ALA 37 - HB3 GLU- 75 3.333% * 0.0188% (0.15 1.0 1.00 0.02 0.02) = 0.019% HA LYS+ 60 - HB3 GLU- 75 3.333% * 0.0157% (0.12 1.0 1.00 0.02 0.18) = 0.016% HA TRP 51 - HB3 GLU- 75 3.333% * 0.0147% (0.12 1.0 1.00 0.02 0.12) = 0.015% HA PRO 116 - HB3 GLU- 75 3.333% * 0.0116% (0.09 1.0 1.00 0.02 0.02) = 0.012% HA PRO 86 - HB3 GLU- 75 3.333% * 0.0097% (0.08 1.0 1.00 0.02 0.02) = 0.010% HB THR 61 - HB3 GLU- 75 3.333% * 0.0088% (0.07 1.0 1.00 0.02 0.02) = 0.009% HA2 GLY 26 - HB3 GLU- 75 3.333% * 0.0065% (0.05 1.0 1.00 0.02 0.02) = 0.006% HA HIS+ 14 - HB3 GLU- 75 3.333% * 0.0065% (0.05 1.0 1.00 0.02 0.13) = 0.006% Peak 2067 (4.39, 1.84, 32.20 ppm): 48 chemical-shift based assignments, quality = 0.615, support = 3.15, residual support = 28.9: * O T HA PRO 104 - HB2 PRO 104 2.083% * 69.8888% (0.72 10.0 10.00 3.97 38.96) = 69.889% kept T HA PRO 112 - HB2 PRO 104 2.083% * 19.7722% (0.54 1.0 10.00 0.75 3.72) = 19.772% kept T HA LYS+ 60 - HB2 PRO 59 2.083% * 7.5244% (0.08 1.0 10.00 3.01 12.86) = 7.524% kept T HA THR 95 - HB2 PRO 104 2.083% * 0.7828% (0.80 1.0 10.00 0.02 0.02) = 0.783% T HA LYS+ 60 - HB2 PRO 104 2.083% * 0.4592% (0.47 1.0 10.00 0.02 0.02) = 0.459% T HA TRP 51 - HB2 PRO 104 2.083% * 0.4248% (0.44 1.0 10.00 0.02 0.02) = 0.425% T HA THR 95 - HB2 PRO 59 2.083% * 0.1283% (0.13 1.0 10.00 0.02 0.02) = 0.128% T HA PRO 104 - HB2 PRO 59 2.083% * 0.1145% (0.12 1.0 10.00 0.02 0.02) = 0.115% T HA PRO 112 - HB2 PRO 59 2.083% * 0.0867% (0.09 1.0 10.00 0.02 0.02) = 0.087% HA SER 88 - HB2 PRO 104 2.083% * 0.0842% (0.86 1.0 1.00 0.02 0.02) = 0.084% HA ASN 57 - HB2 PRO 104 2.083% * 0.0806% (0.83 1.0 1.00 0.02 0.02) = 0.081% HA ALA 91 - HB2 PRO 104 2.083% * 0.0783% (0.80 1.0 1.00 0.02 0.02) = 0.078% T HA TRP 51 - HB2 PRO 59 2.083% * 0.0696% (0.07 1.0 10.00 0.02 1.63) = 0.070% HA SER 27 - HB2 PRO 104 2.083% * 0.0600% (0.62 1.0 1.00 0.02 0.15) = 0.060% HA ALA 37 - HB2 PRO 104 2.083% * 0.0565% (0.58 1.0 1.00 0.02 0.02) = 0.056% HA PRO 116 - HB2 PRO 104 2.083% * 0.0459% (0.47 1.0 1.00 0.02 0.02) = 0.046% HA PRO 86 - HB2 PRO 104 2.083% * 0.0391% (0.40 1.0 1.00 0.02 0.02) = 0.039% HA HIS+ 14 - HB2 PRO 104 2.083% * 0.0269% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB THR 61 - HB2 PRO 104 2.083% * 0.0243% (0.25 1.0 1.00 0.02 0.02) = 0.024% HA2 GLY 26 - HB2 PRO 104 2.083% * 0.0173% (0.18 1.0 1.00 0.02 0.02) = 0.017% HA SER 88 - HB3 ARG+ 84 2.083% * 0.0140% (0.14 1.0 1.00 0.02 0.02) = 0.014% HA SER 88 - HB2 PRO 59 2.083% * 0.0138% (0.14 1.0 1.00 0.02 0.02) = 0.014% HA LYS+ 66 - HB2 PRO 104 2.083% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% HA ASN 57 - HB3 ARG+ 84 2.083% * 0.0134% (0.14 1.0 1.00 0.02 0.02) = 0.013% HA ASN 57 - HB2 PRO 59 2.083% * 0.0132% (0.14 1.0 1.00 0.02 0.02) = 0.013% HA ALA 91 - HB3 ARG+ 84 2.083% * 0.0130% (0.13 1.0 1.00 0.02 0.02) = 0.013% HA THR 95 - HB3 ARG+ 84 2.083% * 0.0130% (0.13 1.0 1.00 0.02 0.02) = 0.013% HA ALA 91 - HB2 PRO 59 2.083% * 0.0128% (0.13 1.0 1.00 0.02 0.02) = 0.013% HA PRO 104 - HB3 ARG+ 84 2.083% * 0.0116% (0.12 1.0 1.00 0.02 0.02) = 0.012% HA SER 27 - HB3 ARG+ 84 2.083% * 0.0100% (0.10 1.0 1.00 0.02 0.02) = 0.010% HA SER 27 - HB2 PRO 59 2.083% * 0.0098% (0.10 1.0 1.00 0.02 0.02) = 0.010% HA ALA 37 - HB3 ARG+ 84 2.083% * 0.0094% (0.10 1.0 1.00 0.02 0.02) = 0.009% HA ALA 37 - HB2 PRO 59 2.083% * 0.0093% (0.09 1.0 1.00 0.02 0.02) = 0.009% HA PRO 112 - HB3 ARG+ 84 2.083% * 0.0088% (0.09 1.0 1.00 0.02 0.02) = 0.009% HA LYS+ 60 - HB3 ARG+ 84 2.083% * 0.0076% (0.08 1.0 1.00 0.02 0.02) = 0.008% HA PRO 116 - HB3 ARG+ 84 2.083% * 0.0076% (0.08 1.0 1.00 0.02 0.02) = 0.008% HA PRO 116 - HB2 PRO 59 2.083% * 0.0075% (0.08 1.0 1.00 0.02 0.02) = 0.008% HA TRP 51 - HB3 ARG+ 84 2.083% * 0.0071% (0.07 1.0 1.00 0.02 1.04) = 0.007% HA PRO 86 - HB3 ARG+ 84 2.083% * 0.0065% (0.07 1.0 1.00 0.02 0.02) = 0.007% HA PRO 86 - HB2 PRO 59 2.083% * 0.0064% (0.07 1.0 1.00 0.02 0.02) = 0.006% HA HIS+ 14 - HB3 ARG+ 84 2.083% * 0.0045% (0.05 1.0 1.00 0.02 0.02) = 0.004% HA HIS+ 14 - HB2 PRO 59 2.083% * 0.0044% (0.05 1.0 1.00 0.02 0.02) = 0.004% HB THR 61 - HB3 ARG+ 84 2.083% * 0.0040% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB THR 61 - HB2 PRO 59 2.083% * 0.0040% (0.04 1.0 1.00 0.02 0.89) = 0.004% HA2 GLY 26 - HB3 ARG+ 84 2.083% * 0.0029% (0.03 1.0 1.00 0.02 0.02) = 0.003% HA2 GLY 26 - HB2 PRO 59 2.083% * 0.0028% (0.03 1.0 1.00 0.02 0.02) = 0.003% HA LYS+ 66 - HB3 ARG+ 84 2.083% * 0.0022% (0.02 1.0 1.00 0.02 0.02) = 0.002% HA LYS+ 66 - HB2 PRO 59 2.083% * 0.0022% (0.02 1.0 1.00 0.02 0.28) = 0.002% Peak 2068 (3.86, 2.32, 32.16 ppm): 30 chemical-shift based assignments, quality = 0.451, support = 2.96, residual support = 14.1: O T HD2 PRO 86 - HB3 PRO 86 3.333% * 49.8825% (0.25 10.0 10.00 3.64 22.64) = 49.882% kept HB2 SER 85 - HB3 PRO 86 3.333% * 23.4860% (0.97 1.0 1.00 2.40 2.67) = 23.486% kept O T HD2 PRO 116 - HB3 PRO 116 3.333% * 12.5484% (0.06 10.0 10.00 3.52 16.46) = 12.548% kept HB3 SER 88 - HB3 PRO 86 3.333% * 8.9383% (0.99 1.0 1.00 0.90 0.02) = 8.938% kept HA LYS+ 117 - HB3 PRO 116 3.333% * 2.4182% (0.11 1.0 1.00 2.26 3.37) = 2.418% kept T HD3 PRO 35 - HB3 PRO 86 3.333% * 0.7508% (0.37 1.0 10.00 0.02 0.02) = 0.751% T HD2 PRO 116 - HB3 PRO 86 3.333% * 0.6174% (0.31 1.0 10.00 0.02 0.02) = 0.617% HA2 GLY 114 - HB3 PRO 86 3.333% * 0.1931% (0.96 1.0 1.00 0.02 0.02) = 0.193% HB3 SER 77 - HB3 PRO 86 3.333% * 0.1931% (0.96 1.0 1.00 0.02 0.02) = 0.193% HB3 SER 27 - HB3 PRO 86 3.333% * 0.1602% (0.80 1.0 1.00 0.02 0.02) = 0.160% HA GLU- 45 - HB3 PRO 86 3.333% * 0.1529% (0.76 1.0 1.00 0.02 0.02) = 0.153% T HD3 PRO 35 - HB3 PRO 116 3.333% * 0.1526% (0.08 1.0 10.00 0.02 0.02) = 0.153% HA LYS+ 117 - HB3 PRO 86 3.333% * 0.1052% (0.52 1.0 1.00 0.02 0.02) = 0.105% T HD2 PRO 86 - HB3 PRO 116 3.333% * 0.1014% (0.05 1.0 10.00 0.02 0.02) = 0.101% HB3 SER 88 - HB3 PRO 116 3.333% * 0.0403% (0.20 1.0 1.00 0.02 0.02) = 0.040% HB2 SER 85 - HB3 PRO 116 3.333% * 0.0399% (0.20 1.0 1.00 0.02 0.02) = 0.040% HB3 SER 77 - HB3 PRO 116 3.333% * 0.0392% (0.20 1.0 1.00 0.02 0.02) = 0.039% HA2 GLY 114 - HB3 PRO 116 3.333% * 0.0392% (0.20 1.0 1.00 0.02 0.48) = 0.039% HB3 SER 27 - HB3 PRO 116 3.333% * 0.0326% (0.16 1.0 1.00 0.02 0.02) = 0.033% HA GLU- 45 - HB3 PRO 116 3.333% * 0.0311% (0.15 1.0 1.00 0.02 0.02) = 0.031% HB3 SER 88 - HB2 GLU- 64 3.333% * 0.0111% (0.06 1.0 1.00 0.02 0.02) = 0.011% HB2 SER 85 - HB2 GLU- 64 3.333% * 0.0110% (0.05 1.0 1.00 0.02 0.02) = 0.011% HB3 SER 77 - HB2 GLU- 64 3.333% * 0.0109% (0.05 1.0 1.00 0.02 0.02) = 0.011% HA2 GLY 114 - HB2 GLU- 64 3.333% * 0.0109% (0.05 1.0 1.00 0.02 0.02) = 0.011% HB3 SER 27 - HB2 GLU- 64 3.333% * 0.0090% (0.04 1.0 1.00 0.02 0.02) = 0.009% HA GLU- 45 - HB2 GLU- 64 3.333% * 0.0086% (0.04 1.0 1.00 0.02 0.02) = 0.009% HA LYS+ 117 - HB2 GLU- 64 3.333% * 0.0059% (0.03 1.0 1.00 0.02 0.02) = 0.006% HD3 PRO 35 - HB2 GLU- 64 3.333% * 0.0042% (0.02 1.0 1.00 0.02 0.02) = 0.004% HD2 PRO 116 - HB2 GLU- 64 3.333% * 0.0035% (0.02 1.0 1.00 0.02 0.02) = 0.003% HD2 PRO 86 - HB2 GLU- 64 3.333% * 0.0028% (0.01 1.0 1.00 0.02 0.02) = 0.003% Reference assignment not found: HD3 PRO 86 - HB3 PRO 86 Peak 2069 (3.86, 1.97, 32.17 ppm): 40 chemical-shift based assignments, quality = 0.413, support = 2.81, residual support = 14.2: O HD2 PRO 86 - HB2 PRO 86 2.500% * 56.0281% (0.19 10.0 3.69 22.64) = 56.028% kept HB2 SER 85 - HB2 PRO 86 2.500% * 25.4928% (0.83 1.0 2.10 2.67) = 25.493% kept HB3 SER 88 - HB2 PRO 86 2.500% * 11.0959% (0.84 1.0 0.90 0.02) = 11.096% kept * O HD2 PRO 116 - HB2 PRO 116 2.500% * 5.3521% (0.02 10.0 1.94 16.46) = 5.352% kept HA2 GLY 114 - HB2 PRO 86 2.500% * 0.2381% (0.81 1.0 0.02 0.02) = 0.238% HB3 SER 77 - HB2 PRO 86 2.500% * 0.2381% (0.81 1.0 0.02 0.02) = 0.238% HB3 SER 27 - HB2 PRO 86 2.500% * 0.1923% (0.66 1.0 0.02 0.02) = 0.192% HA GLU- 45 - HB2 PRO 86 2.500% * 0.1827% (0.62 1.0 0.02 0.02) = 0.183% HA LYS+ 117 - HB2 PRO 86 2.500% * 0.1425% (0.49 1.0 0.02 0.02) = 0.142% HD3 PRO 35 - HB2 PRO 86 2.500% * 0.0858% (0.29 1.0 0.02 0.02) = 0.086% HD2 PRO 116 - HB2 PRO 86 2.500% * 0.0700% (0.24 1.0 0.02 0.02) = 0.070% HB3 SER 88 - HB2 GLU- 75 2.500% * 0.0652% (0.22 1.0 0.02 0.02) = 0.065% HB2 SER 85 - HB2 GLU- 75 2.500% * 0.0642% (0.22 1.0 0.02 0.02) = 0.064% HA2 GLY 114 - HB2 GLU- 75 2.500% * 0.0629% (0.21 1.0 0.02 0.02) = 0.063% HB3 SER 77 - HB2 GLU- 75 2.500% * 0.0629% (0.21 1.0 0.02 0.02) = 0.063% HB3 SER 27 - HB2 GLU- 75 2.500% * 0.0508% (0.17 1.0 0.02 0.02) = 0.051% HA GLU- 45 - HB2 GLU- 75 2.500% * 0.0483% (0.16 1.0 0.02 0.11) = 0.048% HB3 SER 88 - HB VAL 73 2.500% * 0.0445% (0.15 1.0 0.02 0.02) = 0.045% HB2 SER 85 - HB VAL 73 2.500% * 0.0438% (0.15 1.0 0.02 0.02) = 0.044% HA2 GLY 114 - HB VAL 73 2.500% * 0.0430% (0.15 1.0 0.02 0.02) = 0.043% HB3 SER 77 - HB VAL 73 2.500% * 0.0430% (0.15 1.0 0.02 0.02) = 0.043% HA LYS+ 117 - HB2 GLU- 75 2.500% * 0.0376% (0.13 1.0 0.02 0.02) = 0.038% HB3 SER 27 - HB VAL 73 2.500% * 0.0347% (0.12 1.0 0.02 0.02) = 0.035% HA GLU- 45 - HB VAL 73 2.500% * 0.0330% (0.11 1.0 0.02 1.63) = 0.033% HA LYS+ 117 - HB VAL 73 2.500% * 0.0257% (0.09 1.0 0.02 0.14) = 0.026% HD3 PRO 35 - HB2 GLU- 75 2.500% * 0.0227% (0.08 1.0 0.02 0.02) = 0.023% HB3 SER 88 - HB2 PRO 116 2.500% * 0.0194% (0.07 1.0 0.02 0.02) = 0.019% HB2 SER 85 - HB2 PRO 116 2.500% * 0.0191% (0.07 1.0 0.02 0.02) = 0.019% HA2 GLY 114 - HB2 PRO 116 2.500% * 0.0187% (0.06 1.0 0.02 0.48) = 0.019% HB3 SER 77 - HB2 PRO 116 2.500% * 0.0187% (0.06 1.0 0.02 0.02) = 0.019% HD2 PRO 116 - HB2 GLU- 75 2.500% * 0.0185% (0.06 1.0 0.02 0.02) = 0.018% HD3 PRO 35 - HB VAL 73 2.500% * 0.0155% (0.05 1.0 0.02 0.02) = 0.015% HB3 SER 27 - HB2 PRO 116 2.500% * 0.0151% (0.05 1.0 0.02 0.02) = 0.015% HD2 PRO 86 - HB2 GLU- 75 2.500% * 0.0148% (0.05 1.0 0.02 0.02) = 0.015% HA GLU- 45 - HB2 PRO 116 2.500% * 0.0144% (0.05 1.0 0.02 0.02) = 0.014% HD2 PRO 116 - HB VAL 73 2.500% * 0.0126% (0.04 1.0 0.02 0.02) = 0.013% HA LYS+ 117 - HB2 PRO 116 2.500% * 0.0112% (0.04 1.0 0.02 3.37) = 0.011% HD2 PRO 86 - HB VAL 73 2.500% * 0.0101% (0.03 1.0 0.02 0.02) = 0.010% HD3 PRO 35 - HB2 PRO 116 2.500% * 0.0068% (0.02 1.0 0.02 0.02) = 0.007% HD2 PRO 86 - HB2 PRO 116 2.500% * 0.0044% (0.02 1.0 0.02 0.02) = 0.004% Peak 2070 (3.76, 2.18, 32.19 ppm): 4 chemical-shift based assignments, quality = 0.662, support = 5.03, residual support = 38.9: * O HD3 PRO 104 - HB3 PRO 104 25.000% * 99.9116% (0.66 10.0 5.04 38.96) = 99.912% kept HA LEU 43 - HB3 PRO 104 25.000% * 0.0546% (0.36 1.0 0.02 0.02) = 0.055% HD3 PRO 104 - HB3 GLU- 75 25.000% * 0.0218% (0.14 1.0 0.02 0.02) = 0.022% HA LEU 43 - HB3 GLU- 75 25.000% * 0.0119% (0.08 1.0 0.02 0.02) = 0.012% Peak 2071 (3.62, 1.85, 32.26 ppm): 3 chemical-shift based assignments, quality = 0.861, support = 0.928, residual support = 3.69: HD2 PRO 112 - HB2 PRO 104 33.333% * 99.1804% (0.87 0.94 3.72) = 99.180% kept HD2 PRO 112 - HB2 PRO 59 33.333% * 0.5147% (0.21 0.02 0.02) = 0.515% HD2 PRO 112 - HB3 ARG+ 84 33.333% * 0.3048% (0.12 0.02 0.02) = 0.305% Peak 2072 (3.44, 2.06, 32.18 ppm): 18 chemical-shift based assignments, quality = 0.314, support = 1.75, residual support = 24.4: * O T HA VAL 62 - HB VAL 62 5.556% * 74.5025% (0.29 10.0 10.00 2.21 32.46) = 74.503% kept T HA VAL 40 - HB3 GLU- 75 5.556% * 19.1898% (0.41 1.0 10.00 0.37 0.87) = 19.190% kept HA ILE 48 - HB3 GLU- 75 5.556% * 3.9912% (0.39 1.0 1.00 0.80 0.02) = 3.991% kept T HA VAL 62 - HB3 GLU- 75 5.556% * 1.3014% (0.50 1.0 10.00 0.02 0.02) = 1.301% kept T HA VAL 40 - HB VAL 62 5.556% * 0.6019% (0.23 1.0 10.00 0.02 0.02) = 0.602% HA VAL 80 - HB3 GLU- 75 5.556% * 0.1003% (0.39 1.0 1.00 0.02 0.02) = 0.100% HD3 PRO 31 - HB3 GLU- 75 5.556% * 0.0589% (0.23 1.0 1.00 0.02 0.02) = 0.059% HA VAL 80 - HB VAL 62 5.556% * 0.0574% (0.22 1.0 1.00 0.02 0.90) = 0.057% HA ILE 48 - HB VAL 62 5.556% * 0.0574% (0.22 1.0 1.00 0.02 9.55) = 0.057% HA1 GLY 71 - HB3 GLU- 75 5.556% * 0.0405% (0.16 1.0 1.00 0.02 0.02) = 0.041% HD3 PRO 31 - HB VAL 62 5.556% * 0.0337% (0.13 1.0 1.00 0.02 0.02) = 0.034% HA1 GLY 71 - HB VAL 62 5.556% * 0.0232% (0.09 1.0 1.00 0.02 0.24) = 0.023% HA VAL 62 - HB3 GLU- 64 5.556% * 0.0101% (0.04 1.0 1.00 0.02 3.47) = 0.010% HA VAL 40 - HB3 GLU- 64 5.556% * 0.0082% (0.03 1.0 1.00 0.02 0.02) = 0.008% HA ILE 48 - HB3 GLU- 64 5.556% * 0.0078% (0.03 1.0 1.00 0.02 2.82) = 0.008% HA VAL 80 - HB3 GLU- 64 5.556% * 0.0078% (0.03 1.0 1.00 0.02 0.02) = 0.008% HD3 PRO 31 - HB3 GLU- 64 5.556% * 0.0046% (0.02 1.0 1.00 0.02 0.02) = 0.005% HA1 GLY 71 - HB3 GLU- 64 5.556% * 0.0032% (0.01 1.0 1.00 0.02 0.02) = 0.003% Peak 2080 (2.61, 2.61, 32.16 ppm): 1 diagonal assignment: * HG2 MET 118 - HG2 MET 118 (0.25) kept Peak 2084 (2.50, 2.49, 32.19 ppm): 2 diagonal assignments: * HG3 MET 118 - HG3 MET 118 (0.23) kept HB3 PRO 59 - HB3 PRO 59 (0.12) kept Peak 2089 (1.98, 1.97, 32.25 ppm): 1 diagonal assignment: HB2 PRO 86 - HB2 PRO 86 (0.77) kept Reference assignment not found: HB2 PRO 116 - HB2 PRO 116 Peak 2095 (2.18, 1.84, 32.19 ppm): 24 chemical-shift based assignments, quality = 0.644, support = 3.58, residual support = 37.3: * O T HB3 PRO 104 - HB2 PRO 104 4.167% * 64.1728% (0.78 10.0 10.00 3.97 38.96) = 64.173% kept O HG2 PRO 104 - HB2 PRO 104 4.167% * 31.2362% (0.38 10.0 1.00 3.22 38.96) = 31.236% kept HG2 PRO 112 - HB2 PRO 104 4.167% * 3.1556% (0.77 1.0 1.00 1.00 3.72) = 3.156% kept T HB3 GLU- 75 - HB2 PRO 104 4.167% * 0.8291% (0.25 1.0 10.00 0.08 0.02) = 0.829% T HB3 PRO 104 - HB2 PRO 59 4.167% * 0.1209% (0.15 1.0 10.00 0.02 0.02) = 0.121% T HB3 PRO 104 - HB3 ARG+ 84 4.167% * 0.0887% (0.11 1.0 10.00 0.02 0.02) = 0.089% HB VAL 99 - HB2 PRO 104 4.167% * 0.0640% (0.78 1.0 1.00 0.02 0.02) = 0.064% HB2 ASP- 82 - HB2 PRO 104 4.167% * 0.0607% (0.74 1.0 1.00 0.02 0.02) = 0.061% HG2 GLN 102 - HB2 PRO 104 4.167% * 0.0592% (0.72 1.0 1.00 0.02 0.02) = 0.059% HG2 MET 126 - HB2 PRO 104 4.167% * 0.0415% (0.50 1.0 1.00 0.02 0.02) = 0.042% T HB3 GLU- 75 - HB2 PRO 59 4.167% * 0.0385% (0.05 1.0 10.00 0.02 0.22) = 0.038% T HB3 GLU- 75 - HB3 ARG+ 84 4.167% * 0.0282% (0.03 1.0 10.00 0.02 0.02) = 0.028% HB VAL 99 - HB2 PRO 59 4.167% * 0.0121% (0.15 1.0 1.00 0.02 0.02) = 0.012% HG2 PRO 112 - HB2 PRO 59 4.167% * 0.0119% (0.14 1.0 1.00 0.02 0.02) = 0.012% HB2 ASP- 82 - HB2 PRO 59 4.167% * 0.0114% (0.14 1.0 1.00 0.02 0.02) = 0.011% HG2 GLN 102 - HB2 PRO 59 4.167% * 0.0112% (0.14 1.0 1.00 0.02 0.02) = 0.011% HB VAL 99 - HB3 ARG+ 84 4.167% * 0.0089% (0.11 1.0 1.00 0.02 0.02) = 0.009% HG2 PRO 112 - HB3 ARG+ 84 4.167% * 0.0087% (0.11 1.0 1.00 0.02 0.02) = 0.009% HB2 ASP- 82 - HB3 ARG+ 84 4.167% * 0.0084% (0.10 1.0 1.00 0.02 0.14) = 0.008% HG2 GLN 102 - HB3 ARG+ 84 4.167% * 0.0082% (0.10 1.0 1.00 0.02 0.02) = 0.008% HG2 MET 126 - HB2 PRO 59 4.167% * 0.0078% (0.10 1.0 1.00 0.02 0.02) = 0.008% HG2 PRO 104 - HB2 PRO 59 4.167% * 0.0059% (0.07 1.0 1.00 0.02 0.02) = 0.006% HG2 MET 126 - HB3 ARG+ 84 4.167% * 0.0057% (0.07 1.0 1.00 0.02 0.02) = 0.006% HG2 PRO 104 - HB3 ARG+ 84 4.167% * 0.0043% (0.05 1.0 1.00 0.02 0.02) = 0.004% Peak 2097 (1.89, 1.89, 32.31 ppm): 2 diagonal assignments: * HB2 PRO 112 - HB2 PRO 112 (0.59) kept HB3 ARG+ 84 - HB3 ARG+ 84 (0.04) kept Peak 2098 (1.85, 2.18, 32.17 ppm): 22 chemical-shift based assignments, quality = 0.963, support = 3.93, residual support = 38.6: * O HB2 PRO 104 - HB3 PRO 104 4.545% * 99.1046% (0.97 10.0 3.97 38.96) = 99.105% kept HG2 PRO 112 - HB3 GLU- 75 4.545% * 0.1172% (0.04 1.0 0.59 0.30) = 0.117% HB3 LYS+ 72 - HB3 PRO 104 4.545% * 0.0980% (0.96 1.0 0.02 0.02) = 0.098% HB3 LYS+ 60 - HB3 PRO 104 4.545% * 0.0965% (0.95 1.0 0.02 0.02) = 0.096% HB VAL 94 - HB3 PRO 104 4.545% * 0.0965% (0.95 1.0 0.02 0.02) = 0.096% HD2 PRO 59 - HB3 PRO 104 4.545% * 0.0946% (0.93 1.0 0.02 0.02) = 0.095% HB2 LYS+ 66 - HB3 PRO 104 4.545% * 0.0687% (0.67 1.0 0.02 0.02) = 0.069% HB3 ARG+ 84 - HB3 PRO 104 4.545% * 0.0487% (0.48 1.0 0.02 0.02) = 0.049% HD3 PRO 52 - HB3 PRO 104 4.545% * 0.0448% (0.44 1.0 0.02 0.02) = 0.045% HB2 PRO 59 - HB3 PRO 104 4.545% * 0.0341% (0.33 1.0 0.02 0.02) = 0.034% HG3 LYS+ 120 - HB3 PRO 104 4.545% * 0.0249% (0.24 1.0 0.02 0.02) = 0.025% HB2 PRO 104 - HB3 GLU- 75 4.545% * 0.0215% (0.21 1.0 0.02 0.02) = 0.021% HB3 LYS+ 72 - HB3 GLU- 75 4.545% * 0.0213% (0.21 1.0 0.02 0.02) = 0.021% HB3 LYS+ 60 - HB3 GLU- 75 4.545% * 0.0209% (0.21 1.0 0.02 0.18) = 0.021% HB VAL 94 - HB3 GLU- 75 4.545% * 0.0209% (0.21 1.0 0.02 0.02) = 0.021% HD2 PRO 59 - HB3 GLU- 75 4.545% * 0.0205% (0.20 1.0 0.02 0.22) = 0.021% HG2 PRO 112 - HB3 PRO 104 4.545% * 0.0183% (0.18 1.0 0.02 3.72) = 0.018% HB2 LYS+ 66 - HB3 GLU- 75 4.545% * 0.0149% (0.15 1.0 0.02 0.02) = 0.015% HB3 ARG+ 84 - HB3 GLU- 75 4.545% * 0.0106% (0.10 1.0 0.02 0.02) = 0.011% HD3 PRO 52 - HB3 GLU- 75 4.545% * 0.0097% (0.10 1.0 0.02 0.02) = 0.010% HB2 PRO 59 - HB3 GLU- 75 4.545% * 0.0074% (0.07 1.0 0.02 0.22) = 0.007% HG3 LYS+ 120 - HB3 GLU- 75 4.545% * 0.0054% (0.05 1.0 0.02 0.02) = 0.005% Peak 2101 (0.92, 2.27, 32.00 ppm): 28 chemical-shift based assignments, quality = 0.781, support = 2.23, residual support = 24.5: * O QG2 VAL 80 - HB VAL 80 3.571% * 79.4734% (0.92 10.0 2.13 25.63) = 79.473% kept O QG1 VAL 80 - HB VAL 80 3.571% * 16.2969% (0.19 10.0 3.16 25.63) = 16.297% kept HG3 LYS+ 117 - HB VAL 80 3.571% * 2.1474% (0.69 1.0 0.72 0.10) = 2.147% kept QG2 VAL 40 - HB VAL 80 3.571% * 1.1118% (0.46 1.0 0.55 0.12) = 1.112% kept QG1 VAL 47 - HB VAL 80 3.571% * 0.2368% (0.54 1.0 0.10 0.02) = 0.237% QD1 LEU 67 - HB VAL 80 3.571% * 0.2172% (0.62 1.0 0.08 0.02) = 0.217% HG3 LYS+ 110 - HB VAL 80 3.571% * 0.0739% (0.85 1.0 0.02 0.02) = 0.074% HG12 ILE 68 - HB VAL 80 3.571% * 0.0688% (0.80 1.0 0.02 0.02) = 0.069% QG2 VAL 105 - HB VAL 80 3.571% * 0.0466% (0.54 1.0 0.02 0.02) = 0.047% QD1 LEU 17 - HB VAL 80 3.571% * 0.0433% (0.50 1.0 0.02 0.02) = 0.043% QG1 VAL 105 - HB VAL 80 3.571% * 0.0401% (0.46 1.0 0.02 0.02) = 0.040% QG2 VAL 87 - HB VAL 80 3.571% * 0.0401% (0.46 1.0 0.02 0.02) = 0.040% QG2 VAL 80 - HB3 PRO 112 3.571% * 0.0220% (0.25 1.0 0.02 0.02) = 0.022% HG3 LYS+ 110 - HB3 PRO 112 3.571% * 0.0205% (0.24 1.0 0.02 0.02) = 0.020% HG12 ILE 68 - HB3 PRO 112 3.571% * 0.0191% (0.22 1.0 0.02 0.02) = 0.019% HG3 LYS+ 117 - HB3 PRO 112 3.571% * 0.0166% (0.19 1.0 0.02 0.02) = 0.017% QG2 VAL 62 - HB VAL 80 3.571% * 0.0163% (0.19 1.0 0.02 0.90) = 0.016% QD1 LEU 67 - HB3 PRO 112 3.571% * 0.0148% (0.17 1.0 0.02 0.02) = 0.015% QG2 VAL 105 - HB3 PRO 112 3.571% * 0.0129% (0.15 1.0 0.02 0.02) = 0.013% QG1 VAL 47 - HB3 PRO 112 3.571% * 0.0129% (0.15 1.0 0.02 0.02) = 0.013% QD1 LEU 17 - HB3 PRO 112 3.571% * 0.0120% (0.14 1.0 0.02 0.02) = 0.012% QG2 VAL 73 - HB VAL 80 3.571% * 0.0111% (0.13 1.0 0.02 0.58) = 0.011% QG2 VAL 87 - HB3 PRO 112 3.571% * 0.0111% (0.13 1.0 0.02 0.02) = 0.011% QG2 VAL 40 - HB3 PRO 112 3.571% * 0.0111% (0.13 1.0 0.02 0.02) = 0.011% QG1 VAL 105 - HB3 PRO 112 3.571% * 0.0111% (0.13 1.0 0.02 0.02) = 0.011% QG2 VAL 62 - HB3 PRO 112 3.571% * 0.0045% (0.05 1.0 0.02 0.10) = 0.005% QG1 VAL 80 - HB3 PRO 112 3.571% * 0.0045% (0.05 1.0 0.02 0.02) = 0.005% QG2 VAL 73 - HB3 PRO 112 3.571% * 0.0031% (0.04 1.0 0.02 0.41) = 0.003% Peak 2102 (8.59, 1.96, 31.75 ppm): 8 chemical-shift based assignments, quality = 0.655, support = 3.07, residual support = 24.1: * O HN VAL 73 - HB VAL 73 12.500% * 96.2173% (0.65 10.0 3.18 25.01) = 96.217% kept HN VAL 80 - HB VAL 73 12.500% * 1.8246% (0.79 1.0 0.31 0.58) = 1.825% kept HN LYS+ 20 - HB VAL 73 12.500% * 1.6128% (0.82 1.0 0.27 0.02) = 1.613% kept HN THR 39 - HB VAL 73 12.500% * 0.1215% (0.82 1.0 0.02 0.18) = 0.122% HN THR 39 - HB2 GLU- 75 12.500% * 0.0596% (0.40 1.0 0.02 0.02) = 0.060% HN LYS+ 20 - HB2 GLU- 75 12.500% * 0.0596% (0.40 1.0 0.02 0.02) = 0.060% HN VAL 80 - HB2 GLU- 75 12.500% * 0.0574% (0.39 1.0 0.02 0.02) = 0.057% HN VAL 73 - HB2 GLU- 75 12.500% * 0.0472% (0.32 1.0 0.02 0.02) = 0.047% Peak 2104 (4.29, 2.24, 32.00 ppm): 39 chemical-shift based assignments, quality = 0.23, support = 4.53, residual support = 103.4: O HA PRO 52 - HB2 PRO 52 2.564% * 86.2743% (0.22 10.0 5.08 119.56) = 86.274% kept HA LEU 90 - HB2 PRO 52 2.564% * 10.8553% (0.40 1.0 1.37 2.38) = 10.855% kept HA ASP- 36 - HB2 PRO 52 2.564% * 0.2278% (0.57 1.0 0.02 0.02) = 0.228% HA CYS 121 - HB2 PRO 52 2.564% * 0.2218% (0.56 1.0 0.02 0.02) = 0.222% HA THR 106 - HB2 PRO 52 2.564% * 0.2175% (0.55 1.0 0.02 0.02) = 0.217% HB3 CYS 121 - HB2 PRO 52 2.564% * 0.1994% (0.50 1.0 0.02 0.02) = 0.199% HA ASP- 36 - HB VAL 80 2.564% * 0.1423% (0.36 1.0 0.02 0.02) = 0.142% HA VAL 122 - HB2 PRO 52 2.564% * 0.1394% (0.35 1.0 0.02 1.58) = 0.139% HA ILE 29 - HB2 PRO 52 2.564% * 0.1394% (0.35 1.0 0.02 3.62) = 0.139% HA CYS 121 - HB VAL 80 2.564% * 0.1386% (0.35 1.0 0.02 0.02) = 0.139% HA THR 106 - HB VAL 80 2.564% * 0.1359% (0.34 1.0 0.02 0.30) = 0.136% HB3 CYS 121 - HB VAL 80 2.564% * 0.1246% (0.31 1.0 0.02 0.02) = 0.125% HA LEU 90 - HB VAL 80 2.564% * 0.0987% (0.25 1.0 0.02 0.02) = 0.099% HA VAL 94 - HB2 PRO 52 2.564% * 0.0945% (0.24 1.0 0.02 0.02) = 0.095% HA ALA 93 - HB2 PRO 52 2.564% * 0.0945% (0.24 1.0 0.02 0.02) = 0.095% HA VAL 122 - HB VAL 80 2.564% * 0.0871% (0.22 1.0 0.02 0.02) = 0.087% HA ILE 29 - HB VAL 80 2.564% * 0.0871% (0.22 1.0 0.02 0.02) = 0.087% HA ARG+ 84 - HB2 PRO 52 2.564% * 0.0863% (0.22 1.0 0.02 0.02) = 0.086% HA SER 85 - HB2 PRO 52 2.564% * 0.0863% (0.22 1.0 0.02 0.02) = 0.086% HA VAL 94 - HB VAL 80 2.564% * 0.0590% (0.15 1.0 0.02 0.02) = 0.059% HA ALA 93 - HB VAL 80 2.564% * 0.0590% (0.15 1.0 0.02 0.02) = 0.059% HA PRO 52 - HB VAL 80 2.564% * 0.0539% (0.14 1.0 0.02 0.02) = 0.054% HA SER 85 - HB VAL 80 2.564% * 0.0539% (0.14 1.0 0.02 0.02) = 0.054% HA ARG+ 84 - HB VAL 80 2.564% * 0.0539% (0.14 1.0 0.02 0.02) = 0.054% HA GLU- 56 - HB2 PRO 52 2.564% * 0.0455% (0.11 1.0 0.02 0.02) = 0.045% HA GLU- 56 - HB VAL 80 2.564% * 0.0284% (0.07 1.0 0.02 0.02) = 0.028% HA ASP- 36 - HB3 PRO 112 2.564% * 0.0248% (0.06 1.0 0.02 1.46) = 0.025% HA CYS 121 - HB3 PRO 112 2.564% * 0.0241% (0.06 1.0 0.02 0.02) = 0.024% HA THR 106 - HB3 PRO 112 2.564% * 0.0237% (0.06 1.0 0.02 0.02) = 0.024% HB3 CYS 121 - HB3 PRO 112 2.564% * 0.0217% (0.05 1.0 0.02 0.02) = 0.022% HA LEU 90 - HB3 PRO 112 2.564% * 0.0172% (0.04 1.0 0.02 0.02) = 0.017% * HA VAL 122 - HB3 PRO 112 2.564% * 0.0152% (0.04 1.0 0.02 0.02) = 0.015% HA ILE 29 - HB3 PRO 112 2.564% * 0.0152% (0.04 1.0 0.02 0.85) = 0.015% HA VAL 94 - HB3 PRO 112 2.564% * 0.0103% (0.03 1.0 0.02 0.02) = 0.010% HA ALA 93 - HB3 PRO 112 2.564% * 0.0103% (0.03 1.0 0.02 0.02) = 0.010% HA ARG+ 84 - HB3 PRO 112 2.564% * 0.0094% (0.02 1.0 0.02 0.02) = 0.009% HA SER 85 - HB3 PRO 112 2.564% * 0.0094% (0.02 1.0 0.02 0.02) = 0.009% HA PRO 52 - HB3 PRO 112 2.564% * 0.0094% (0.02 1.0 0.02 0.02) = 0.009% HA GLU- 56 - HB3 PRO 112 2.564% * 0.0050% (0.01 1.0 0.02 0.14) = 0.005% Reference assignment eliminated. Peak 2105 (4.25, 2.36, 31.85 ppm): 42 chemical-shift based assignments, quality = 0.691, support = 4.29, residual support = 56.2: O HA GLU- 64 - HB2 GLU- 64 2.381% * 98.3849% (0.70 10.0 4.36 57.10) = 98.385% kept HA ALA 11 - HB2 GLU- 64 2.381% * 0.1355% (0.97 1.0 0.02 0.02) = 0.135% HA ASN 76 - HB2 GLU- 64 2.381% * 0.1343% (0.96 1.0 0.02 0.02) = 0.134% HA ASN 119 - HB2 GLU- 64 2.381% * 0.1328% (0.95 1.0 0.02 0.02) = 0.133% HA GLU- 107 - HB2 GLU- 64 2.381% * 0.1328% (0.95 1.0 0.02 0.02) = 0.133% HA PRO 59 - HB2 GLU- 64 2.381% * 0.1251% (0.89 1.0 0.02 0.02) = 0.125% HA GLU- 75 - HB2 GLU- 64 2.381% * 0.1035% (0.74 1.0 0.02 0.02) = 0.104% HA GLU- 54 - HB2 GLU- 64 2.381% * 0.0931% (0.66 1.0 0.02 0.02) = 0.093% HA LYS+ 108 - HB2 GLU- 64 2.381% * 0.0931% (0.66 1.0 0.02 0.02) = 0.093% HA GLU- 10 - HB2 GLU- 64 2.381% * 0.0931% (0.66 1.0 0.02 0.02) = 0.093% HA GLU- 56 - HB2 GLU- 64 2.381% * 0.0767% (0.55 1.0 0.02 0.02) = 0.077% HA ALA 42 - HB2 GLU- 64 2.381% * 0.0659% (0.47 1.0 0.02 0.02) = 0.066% HA SER 49 - HB2 GLU- 64 2.381% * 0.0557% (0.40 1.0 0.02 0.80) = 0.056% HA SER 85 - HB2 GLU- 64 2.381% * 0.0462% (0.33 1.0 0.02 0.02) = 0.046% HA ARG+ 84 - HB2 GLU- 64 2.381% * 0.0462% (0.33 1.0 0.02 0.02) = 0.046% HA PRO 52 - HB2 GLU- 64 2.381% * 0.0462% (0.33 1.0 0.02 0.02) = 0.046% HB3 SER 49 - HB2 GLU- 64 2.381% * 0.0423% (0.30 1.0 0.02 0.80) = 0.042% HA VAL 94 - HB2 GLU- 64 2.381% * 0.0418% (0.30 1.0 0.02 0.02) = 0.042% HA GLU- 109 - HB2 GLU- 64 2.381% * 0.0338% (0.24 1.0 0.02 0.02) = 0.034% HA VAL 122 - HB2 GLU- 64 2.381% * 0.0237% (0.17 1.0 0.02 0.02) = 0.024% HA LEU 90 - HB2 GLU- 64 2.381% * 0.0183% (0.13 1.0 0.02 0.02) = 0.018% HA ALA 11 - HB3 PRO 86 2.381% * 0.0062% (0.04 1.0 0.02 0.11) = 0.006% HA ASN 76 - HB3 PRO 86 2.381% * 0.0061% (0.04 1.0 0.02 0.02) = 0.006% HA GLU- 107 - HB3 PRO 86 2.381% * 0.0061% (0.04 1.0 0.02 0.02) = 0.006% HA ASN 119 - HB3 PRO 86 2.381% * 0.0061% (0.04 1.0 0.02 0.02) = 0.006% HA PRO 59 - HB3 PRO 86 2.381% * 0.0057% (0.04 1.0 0.02 0.02) = 0.006% HA GLU- 75 - HB3 PRO 86 2.381% * 0.0047% (0.03 1.0 0.02 0.02) = 0.005% HA GLU- 64 - HB3 PRO 86 2.381% * 0.0045% (0.03 1.0 0.02 0.02) = 0.004% HA GLU- 10 - HB3 PRO 86 2.381% * 0.0043% (0.03 1.0 0.02 0.02) = 0.004% HA GLU- 54 - HB3 PRO 86 2.381% * 0.0043% (0.03 1.0 0.02 0.02) = 0.004% HA LYS+ 108 - HB3 PRO 86 2.381% * 0.0043% (0.03 1.0 0.02 0.02) = 0.004% HA GLU- 56 - HB3 PRO 86 2.381% * 0.0035% (0.03 1.0 0.02 0.02) = 0.004% HA ALA 42 - HB3 PRO 86 2.381% * 0.0030% (0.02 1.0 0.02 0.02) = 0.003% HA SER 49 - HB3 PRO 86 2.381% * 0.0025% (0.02 1.0 0.02 0.02) = 0.003% HA PRO 52 - HB3 PRO 86 2.381% * 0.0021% (0.02 1.0 0.02 0.02) = 0.002% HA ARG+ 84 - HB3 PRO 86 2.381% * 0.0021% (0.02 1.0 0.02 0.02) = 0.002% HA SER 85 - HB3 PRO 86 2.381% * 0.0021% (0.02 1.0 0.02 2.67) = 0.002% HB3 SER 49 - HB3 PRO 86 2.381% * 0.0019% (0.01 1.0 0.02 0.02) = 0.002% HA VAL 94 - HB3 PRO 86 2.381% * 0.0019% (0.01 1.0 0.02 0.02) = 0.002% HA GLU- 109 - HB3 PRO 86 2.381% * 0.0015% (0.01 1.0 0.02 0.02) = 0.002% HA VAL 122 - HB3 PRO 86 2.381% * 0.0011% (0.01 1.0 0.02 0.02) = 0.001% HA LEU 90 - HB3 PRO 86 2.381% * 0.0008% (0.01 1.0 0.02 0.02) = 0.001% Reference assignment not found: HA GLU- 64 - HB3 GLU- 64 Peak 2107 (3.15, 2.91, 31.92 ppm): 6 chemical-shift based assignments, quality = 0.615, support = 2.11, residual support = 23.7: * O T HB3 HIS+ 98 - HB2 HIS+ 98 16.667% * 99.7958% (0.62 10.0 10.00 2.12 23.79) = 99.796% kept HB3 PHE 34 - HB2 HIS+ 98 16.667% * 0.0630% (0.39 1.0 1.00 0.02 0.02) = 0.063% HE3 LYS+ 108 - HB2 HIS+ 98 16.667% * 0.0380% (0.23 1.0 1.00 0.02 0.02) = 0.038% HE3 LYS+ 117 - HB2 HIS+ 98 16.667% * 0.0380% (0.23 1.0 1.00 0.02 0.02) = 0.038% HE3 LYS+ 72 - HB2 HIS+ 98 16.667% * 0.0343% (0.21 1.0 1.00 0.02 0.02) = 0.034% HD3 ARG+ 84 - HB2 HIS+ 98 16.667% * 0.0309% (0.19 1.0 1.00 0.02 0.02) = 0.031% Peak 2108 (2.92, 3.15, 31.92 ppm): 5 chemical-shift based assignments, quality = 0.615, support = 2.09, residual support = 23.4: * O T HB2 HIS+ 98 - HB3 HIS+ 98 20.000% * 98.5569% (0.62 10.0 10.00 2.12 23.79) = 98.557% kept HE3 LYS+ 81 - HB3 HIS+ 98 20.000% * 1.1837% (0.51 1.0 1.00 0.29 0.39) = 1.184% kept HB2 CYS 121 - HB3 HIS+ 98 20.000% * 0.0966% (0.61 1.0 1.00 0.02 0.02) = 0.097% HE3 LYS+ 60 - HB3 HIS+ 98 20.000% * 0.0886% (0.56 1.0 1.00 0.02 0.02) = 0.089% HB3 ASN 57 - HB3 HIS+ 98 20.000% * 0.0742% (0.47 1.0 1.00 0.02 0.02) = 0.074% Peak 2111 (2.38, 2.23, 72.92 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2112 (2.23, 1.61, 31.95 ppm): 15 chemical-shift based assignments, quality = 0.762, support = 5.35, residual support = 117.7: O T HB2 PRO 52 - HB3 PRO 52 6.667% * 98.4365% (0.77 10.0 10.00 5.44 119.56) = 98.436% kept HG2 PRO 112 - HB3 PRO 52 6.667% * 0.6537% (0.84 1.0 1.00 0.12 0.02) = 0.654% HB3 GLU- 45 - HB3 PRO 52 6.667% * 0.1009% (0.79 1.0 1.00 0.02 0.02) = 0.101% HG3 GLU- 109 - HB3 PRO 52 6.667% * 0.0984% (0.77 1.0 1.00 0.02 0.02) = 0.098% HG3 GLN 16 - HB3 PRO 52 6.667% * 0.0956% (0.75 1.0 1.00 0.02 0.12) = 0.096% HG3 GLU- 10 - HB3 PRO 52 6.667% * 0.0925% (0.73 1.0 1.00 0.02 0.02) = 0.092% HG3 GLN 102 - HB3 PRO 52 6.667% * 0.0891% (0.70 1.0 1.00 0.02 0.02) = 0.089% HB3 ASN 15 - HB3 PRO 52 6.667% * 0.0774% (0.61 1.0 1.00 0.02 0.02) = 0.077% HG3 GLU- 18 - HB3 PRO 52 6.667% * 0.0774% (0.61 1.0 1.00 0.02 0.02) = 0.077% HB2 GLU- 50 - HB3 PRO 52 6.667% * 0.0690% (0.54 1.0 1.00 0.02 0.30) = 0.069% HA1 GLY 58 - HB3 PRO 52 6.667% * 0.0561% (0.44 1.0 1.00 0.02 0.02) = 0.056% HG3 MET 97 - HB3 PRO 52 6.667% * 0.0561% (0.44 1.0 1.00 0.02 0.02) = 0.056% HG3 MET 126 - HB3 PRO 52 6.667% * 0.0438% (0.34 1.0 1.00 0.02 0.02) = 0.044% HG3 GLU- 107 - HB3 PRO 52 6.667% * 0.0296% (0.23 1.0 1.00 0.02 0.02) = 0.030% HG3 GLU- 54 - HB3 PRO 52 6.667% * 0.0237% (0.19 1.0 1.00 0.02 8.58) = 0.024% Peak 2113 (1.91, 1.62, 31.82 ppm): 12 chemical-shift based assignments, quality = 0.505, support = 2.76, residual support = 18.9: HB3 ARG+ 53 - HB3 PRO 52 8.333% * 80.4193% (0.51 3.38 23.27) = 80.419% kept HB2 LEU 23 - HB3 PRO 52 8.333% * 7.7091% (0.53 0.31 1.63) = 7.709% kept HD3 LYS+ 63 - HB3 PRO 52 8.333% * 4.4901% (0.63 0.15 1.23) = 4.490% kept HB2 PRO 112 - HB3 PRO 52 8.333% * 4.0943% (0.61 0.14 0.02) = 4.094% kept HG2 PRO 112 - HB3 PRO 52 8.333% * 1.0833% (0.19 0.12 0.02) = 1.083% kept HB3 GLN 102 - HB3 PRO 52 8.333% * 0.5817% (0.62 0.02 0.02) = 0.582% HB ILE 29 - HB3 PRO 52 8.333% * 0.3839% (0.41 0.02 3.62) = 0.384% HB3 CYS 123 - HB3 PRO 52 8.333% * 0.3839% (0.41 0.02 0.02) = 0.384% HB3 GLN 16 - HB3 PRO 52 8.333% * 0.2440% (0.26 0.02 0.12) = 0.244% HG2 GLU- 18 - HB3 PRO 52 8.333% * 0.2440% (0.26 0.02 0.02) = 0.244% HB2 GLU- 10 - HB3 PRO 52 8.333% * 0.1832% (0.20 0.02 0.02) = 0.183% HB2 PRO 116 - HB3 PRO 52 8.333% * 0.1832% (0.20 0.02 0.02) = 0.183% Peak 2114 (1.62, 2.23, 31.94 ppm): 22 chemical-shift based assignments, quality = 0.624, support = 5.38, residual support = 118.2: * O T HB3 PRO 52 - HB2 PRO 52 4.545% * 98.8957% (0.63 10.0 10.00 5.44 119.56) = 98.896% kept HG3 LYS+ 78 - HB2 PRO 52 4.545% * 0.1359% (0.87 1.0 1.00 0.02 0.02) = 0.136% HB VAL 122 - HB2 PRO 52 4.545% * 0.1181% (0.75 1.0 1.00 0.02 1.58) = 0.118% HG LEU 43 - HB2 PRO 52 4.545% * 0.1181% (0.75 1.0 1.00 0.02 0.02) = 0.118% HG2 LYS+ 110 - HB2 PRO 52 4.545% * 0.1181% (0.75 1.0 1.00 0.02 0.02) = 0.118% HB ILE 68 - HB2 PRO 52 4.545% * 0.1181% (0.75 1.0 1.00 0.02 0.02) = 0.118% HG12 ILE 101 - HB2 PRO 52 4.545% * 0.1138% (0.73 1.0 1.00 0.02 0.02) = 0.114% HG LEU 23 - HB2 PRO 52 4.545% * 0.1041% (0.66 1.0 1.00 0.02 1.63) = 0.104% HD3 LYS+ 32 - HB2 PRO 52 4.545% * 0.0771% (0.49 1.0 1.00 0.02 0.02) = 0.077% HG2 ARG+ 22 - HB2 PRO 52 4.545% * 0.0270% (0.17 1.0 1.00 0.02 0.02) = 0.027% HB3 LYS+ 32 - HB2 PRO 52 4.545% * 0.0210% (0.13 1.0 1.00 0.02 0.02) = 0.021% HG3 LYS+ 78 - HB VAL 80 4.545% * 0.0198% (0.13 1.0 1.00 0.02 0.02) = 0.020% HB ILE 68 - HB VAL 80 4.545% * 0.0172% (0.11 1.0 1.00 0.02 0.02) = 0.017% HB VAL 122 - HB VAL 80 4.545% * 0.0172% (0.11 1.0 1.00 0.02 0.02) = 0.017% HG2 LYS+ 110 - HB VAL 80 4.545% * 0.0172% (0.11 1.0 1.00 0.02 0.02) = 0.017% HG LEU 43 - HB VAL 80 4.545% * 0.0172% (0.11 1.0 1.00 0.02 4.17) = 0.017% HG12 ILE 101 - HB VAL 80 4.545% * 0.0166% (0.11 1.0 1.00 0.02 0.02) = 0.017% HG LEU 23 - HB VAL 80 4.545% * 0.0152% (0.10 1.0 1.00 0.02 0.02) = 0.015% HB3 PRO 52 - HB VAL 80 4.545% * 0.0144% (0.09 1.0 1.00 0.02 0.02) = 0.014% HD3 LYS+ 32 - HB VAL 80 4.545% * 0.0112% (0.07 1.0 1.00 0.02 0.02) = 0.011% HG2 ARG+ 22 - HB VAL 80 4.545% * 0.0039% (0.03 1.0 1.00 0.02 0.02) = 0.004% HB3 LYS+ 32 - HB VAL 80 4.545% * 0.0031% (0.02 1.0 1.00 0.02 0.02) = 0.003% Peak 2115 (1.60, 1.60, 31.96 ppm): 1 diagonal assignment: * HB3 PRO 52 - HB3 PRO 52 (0.81) kept Peak 2116 (1.46, 2.02, 31.93 ppm): 24 chemical-shift based assignments, quality = 0.594, support = 0.907, residual support = 0.641: HG3 LYS+ 60 - HB3 GLU- 64 4.167% * 28.0651% (0.74 1.35 0.02) = 28.065% kept HB3 LEU 67 - HB3 GLU- 64 4.167% * 13.5909% (0.81 0.60 0.16) = 13.591% kept HG13 ILE 48 - HB3 GLU- 64 4.167% * 12.4778% (0.84 0.53 2.82) = 12.478% kept HB3 LEU 67 - HB3 GLU- 75 4.167% * 11.7513% (0.30 1.40 0.26) = 11.751% kept HG2 PRO 59 - HB3 GLU- 64 4.167% * 7.4150% (0.74 0.36 0.02) = 7.415% kept HB3 LYS+ 44 - HB3 GLU- 75 4.167% * 6.3887% (0.14 1.61 3.27) = 6.389% kept HG3 LYS+ 60 - HB3 GLU- 75 4.167% * 5.8221% (0.27 0.76 0.18) = 5.822% kept HG3 PRO 52 - HB3 GLU- 64 4.167% * 4.0332% (0.84 0.17 0.02) = 4.033% kept HG2 PRO 59 - HB3 GLU- 75 4.167% * 3.8467% (0.27 0.50 0.22) = 3.847% kept HG13 ILE 48 - HB3 GLU- 75 4.167% * 2.4221% (0.31 0.28 0.02) = 2.422% kept HG3 PRO 52 - HB3 GLU- 75 4.167% * 1.4975% (0.31 0.17 0.02) = 1.497% kept QB ALA 70 - HB3 GLU- 75 4.167% * 1.3648% (0.13 0.38 0.02) = 1.365% kept HG LEU 90 - HB3 GLU- 64 4.167% * 0.5424% (0.24 0.08 0.02) = 0.542% HB3 LYS+ 44 - HB3 GLU- 64 4.167% * 0.2145% (0.38 0.02 0.02) = 0.214% QB ALA 70 - HB3 GLU- 64 4.167% * 0.1967% (0.35 0.02 0.02) = 0.197% HG13 ILE 48 - HB2 PRO 86 4.167% * 0.0546% (0.10 0.02 0.49) = 0.055% HG3 PRO 52 - HB2 PRO 86 4.167% * 0.0546% (0.10 0.02 0.02) = 0.055% HB3 LEU 67 - HB2 PRO 86 4.167% * 0.0527% (0.09 0.02 0.02) = 0.053% HG LEU 90 - HB3 GLU- 75 4.167% * 0.0492% (0.09 0.02 0.39) = 0.049% HG2 PRO 59 - HB2 PRO 86 4.167% * 0.0483% (0.09 0.02 0.02) = 0.048% HG3 LYS+ 60 - HB2 PRO 86 4.167% * 0.0483% (0.09 0.02 0.02) = 0.048% HB3 LYS+ 44 - HB2 PRO 86 4.167% * 0.0250% (0.04 0.02 0.02) = 0.025% QB ALA 70 - HB2 PRO 86 4.167% * 0.0229% (0.04 0.02 0.02) = 0.023% HG LEU 90 - HB2 PRO 86 4.167% * 0.0155% (0.03 0.02 0.02) = 0.015% Peak 2117 (0.94, 1.97, 31.80 ppm): 30 chemical-shift based assignments, quality = 0.772, support = 2.15, residual support = 23.3: * O QG2 VAL 73 - HB VAL 73 3.333% * 92.8348% (0.78 10.0 2.28 25.01) = 92.835% kept HG12 ILE 68 - HB VAL 73 3.333% * 2.9275% (0.74 1.0 0.66 1.95) = 2.927% kept QG2 VAL 62 - HB VAL 73 3.333% * 2.8838% (0.87 1.0 0.55 0.02) = 2.884% kept QG2 VAL 80 - HB VAL 73 3.333% * 0.2883% (0.55 1.0 0.09 0.58) = 0.288% QG1 VAL 105 - HB VAL 73 3.333% * 0.1149% (0.97 1.0 0.02 0.02) = 0.115% QD1 LEU 17 - HB VAL 73 3.333% * 0.1136% (0.96 1.0 0.02 0.02) = 0.114% QG2 VAL 105 - HB VAL 73 3.333% * 0.1119% (0.94 1.0 0.02 0.02) = 0.112% QG2 ILE 29 - HB VAL 73 3.333% * 0.0886% (0.74 1.0 0.02 0.02) = 0.089% HG3 LYS+ 110 - HB VAL 73 3.333% * 0.0796% (0.67 1.0 0.02 0.02) = 0.080% QG1 VAL 105 - HB2 GLU- 75 3.333% * 0.0472% (0.40 1.0 0.02 0.02) = 0.047% QD1 LEU 17 - HB2 GLU- 75 3.333% * 0.0467% (0.39 1.0 0.02 0.25) = 0.047% QG2 VAL 105 - HB2 GLU- 75 3.333% * 0.0460% (0.39 1.0 0.02 0.02) = 0.046% QG2 VAL 99 - HB VAL 73 3.333% * 0.0435% (0.37 1.0 0.02 0.02) = 0.044% QG2 VAL 62 - HB2 GLU- 75 3.333% * 0.0427% (0.36 1.0 0.02 0.02) = 0.043% QG2 VAL 73 - HB2 GLU- 75 3.333% * 0.0381% (0.32 1.0 0.02 0.02) = 0.038% QG2 ILE 29 - HB2 GLU- 75 3.333% * 0.0364% (0.31 1.0 0.02 0.02) = 0.036% HG12 ILE 68 - HB2 GLU- 75 3.333% * 0.0364% (0.31 1.0 0.02 0.02) = 0.036% HG3 LYS+ 110 - HB2 GLU- 75 3.333% * 0.0327% (0.28 1.0 0.02 0.02) = 0.033% QG2 VAL 80 - HB2 GLU- 75 3.333% * 0.0270% (0.23 1.0 0.02 0.02) = 0.027% QG1 VAL 105 - HB2 PRO 86 3.333% * 0.0181% (0.15 1.0 0.02 0.02) = 0.018% QD1 LEU 17 - HB2 PRO 86 3.333% * 0.0179% (0.15 1.0 0.02 0.02) = 0.018% QG2 VAL 99 - HB2 GLU- 75 3.333% * 0.0179% (0.15 1.0 0.02 0.02) = 0.018% QG2 VAL 105 - HB2 PRO 86 3.333% * 0.0176% (0.15 1.0 0.02 0.02) = 0.018% QG2 VAL 62 - HB2 PRO 86 3.333% * 0.0164% (0.14 1.0 0.02 0.02) = 0.016% QG2 VAL 73 - HB2 PRO 86 3.333% * 0.0146% (0.12 1.0 0.02 0.02) = 0.015% QG2 ILE 29 - HB2 PRO 86 3.333% * 0.0140% (0.12 1.0 0.02 0.02) = 0.014% HG12 ILE 68 - HB2 PRO 86 3.333% * 0.0140% (0.12 1.0 0.02 0.02) = 0.014% HG3 LYS+ 110 - HB2 PRO 86 3.333% * 0.0125% (0.11 1.0 0.02 0.02) = 0.013% QG2 VAL 80 - HB2 PRO 86 3.333% * 0.0103% (0.09 1.0 0.02 0.02) = 0.010% QG2 VAL 99 - HB2 PRO 86 3.333% * 0.0069% (0.06 1.0 0.02 0.02) = 0.007% Peak 2119 (7.33, 1.85, 31.57 ppm): 12 chemical-shift based assignments, quality = 0.0936, support = 3.74, residual support = 63.1: * O HN ARG+ 84 - HB3 ARG+ 84 8.333% * 80.2504% (0.09 10.0 4.43 78.16) = 80.250% kept HZ PHE 34 - HB3 ARG+ 84 8.333% * 5.2956% (0.12 1.0 0.98 2.40) = 5.296% kept QE PHE 34 - HB3 ARG+ 84 8.333% * 5.0963% (0.12 1.0 0.94 2.40) = 5.096% kept HZ2 TRP 51 - HB3 ARG+ 84 8.333% * 4.6363% (0.12 1.0 0.86 1.04) = 4.636% kept QD PHE 34 - HB3 ARG+ 84 8.333% * 4.1597% (0.10 1.0 0.90 2.40) = 4.160% kept HN VAL 47 - HB3 ARG+ 84 8.333% * 0.3995% (0.09 1.0 0.09 0.02) = 0.399% HZ2 TRP 51 - HB3 GLN 16 8.333% * 0.0302% (0.03 1.0 0.02 0.30) = 0.030% QE PHE 34 - HB3 GLN 16 8.333% * 0.0302% (0.03 1.0 0.02 0.02) = 0.030% HZ PHE 34 - HB3 GLN 16 8.333% * 0.0302% (0.03 1.0 0.02 0.02) = 0.030% QD PHE 34 - HB3 GLN 16 8.333% * 0.0257% (0.03 1.0 0.02 0.02) = 0.026% HN VAL 47 - HB3 GLN 16 8.333% * 0.0235% (0.03 1.0 0.02 0.02) = 0.024% HN ARG+ 84 - HB3 GLN 16 8.333% * 0.0224% (0.02 1.0 0.02 0.02) = 0.022% Peak 2120 (7.33, 1.77, 31.52 ppm): 6 chemical-shift based assignments, quality = 0.244, support = 0.756, residual support = 0.538: QE PHE 34 - HB3 GLU- 18 16.667% * 32.2889% (0.26 0.89 0.59) = 32.289% kept HZ PHE 34 - HB3 GLU- 18 16.667% * 30.3608% (0.26 0.84 0.59) = 30.361% kept QD PHE 34 - HB3 GLU- 18 16.667% * 19.8369% (0.18 0.79 0.59) = 19.837% kept HZ2 TRP 51 - HB3 GLU- 18 16.667% * 13.9864% (0.26 0.39 0.02) = 13.986% kept HN VAL 47 - HB3 GLU- 18 16.667% * 1.8976% (0.16 0.09 0.02) = 1.898% kept HN ARG+ 84 - HB3 GLU- 18 16.667% * 1.6294% (0.15 0.08 3.05) = 1.629% kept Peak 2121 (4.80, 1.76, 31.40 ppm): 4 chemical-shift based assignments, quality = 0.254, support = 4.62, residual support = 53.7: * O HA GLU- 18 - HB3 GLU- 18 25.000% * 99.6921% (0.25 10.0 4.64 53.83) = 99.692% kept HA LEU 23 - HB3 GLU- 18 25.000% * 0.1511% (0.39 1.0 0.02 0.02) = 0.151% HB THR 39 - HB3 GLU- 18 25.000% * 0.0935% (0.24 1.0 0.02 0.02) = 0.093% HA ASN 15 - HB3 GLU- 18 25.000% * 0.0634% (0.16 1.0 0.02 0.02) = 0.063% Peak 2124 (4.29, 1.77, 31.45 ppm): 15 chemical-shift based assignments, quality = 0.338, support = 0.565, residual support = 0.701: HA CYS 121 - HB3 GLU- 18 6.667% * 22.4954% (0.43 0.65 0.22) = 22.495% kept HB3 CYS 121 - HB3 GLU- 18 6.667% * 21.9729% (0.42 0.64 0.22) = 21.973% kept HA VAL 94 - HB3 GLU- 18 6.667% * 16.3716% (0.26 0.77 3.64) = 16.372% kept HA ASP- 36 - HB3 GLU- 18 6.667% * 10.3504% (0.39 0.33 0.02) = 10.350% kept HA ALA 93 - HB3 GLU- 18 6.667% * 8.1589% (0.11 0.94 0.02) = 8.159% kept HA VAL 122 - HB3 GLU- 18 6.667% * 5.4687% (0.35 0.20 0.02) = 5.469% kept HA ILE 29 - HB3 GLU- 18 6.667% * 4.6143% (0.18 0.32 0.02) = 4.614% kept HA THR 106 - HB3 GLU- 18 6.667% * 3.3782% (0.43 0.10 0.02) = 3.378% kept HA LEU 90 - HB3 GLU- 18 6.667% * 2.9486% (0.38 0.10 0.02) = 2.949% kept HA GLU- 75 - HB3 GLU- 18 6.667% * 2.6612% (0.09 0.39 0.02) = 2.661% kept HA PRO 52 - HB3 GLU- 18 6.667% * 0.3954% (0.25 0.02 0.02) = 0.395% HA ARG+ 84 - HB3 GLU- 18 6.667% * 0.3954% (0.25 0.02 3.05) = 0.395% HA SER 85 - HB3 GLU- 18 6.667% * 0.3954% (0.25 0.02 2.22) = 0.395% HA GLU- 56 - HB3 GLU- 18 6.667% * 0.2382% (0.15 0.02 0.02) = 0.238% HA GLU- 64 - HB3 GLU- 18 6.667% * 0.1555% (0.10 0.02 0.02) = 0.155% Reference assignment not found: HA ARG+ 84 - HB2 ARG+ 84 Peak 2125 (4.27, 2.02, 31.57 ppm): 57 chemical-shift based assignments, quality = 0.351, support = 3.88, residual support = 38.3: O HA GLU- 64 - HB3 GLU- 64 1.754% * 47.4665% (0.37 10.0 5.23 57.10) = 47.466% kept O HA GLU- 75 - HB3 GLU- 75 1.754% * 46.2654% (0.36 10.0 2.97 24.21) = 46.265% kept HA ASN 76 - HB3 GLU- 75 1.754% * 1.3960% (0.23 1.0 0.96 0.02) = 1.396% kept HA GLU- 56 - HB3 GLU- 75 1.754% * 1.2496% (0.40 1.0 0.49 0.02) = 1.250% kept HA LEU 90 - HB3 GLU- 75 1.754% * 1.2238% (0.29 1.0 0.65 0.39) = 1.224% kept HA ALA 11 - HB3 GLU- 75 1.754% * 0.6762% (0.19 1.0 0.54 0.02) = 0.676% HA PRO 59 - HB3 GLU- 64 1.754% * 0.3278% (0.11 1.0 0.46 0.02) = 0.328% HB3 SER 49 - HB3 GLU- 75 1.754% * 0.1355% (0.08 1.0 0.26 0.02) = 0.135% HA GLU- 56 - HB3 GLU- 64 1.754% * 0.0510% (0.39 1.0 0.02 0.02) = 0.051% HA PRO 52 - HB3 GLU- 75 1.754% * 0.0498% (0.38 1.0 0.02 0.02) = 0.050% HA ARG+ 84 - HB3 GLU- 75 1.754% * 0.0498% (0.38 1.0 0.02 0.02) = 0.050% HA SER 85 - HB3 GLU- 75 1.754% * 0.0498% (0.38 1.0 0.02 0.02) = 0.050% HA SER 85 - HB3 GLU- 64 1.754% * 0.0496% (0.38 1.0 0.02 0.02) = 0.050% HA ARG+ 84 - HB3 GLU- 64 1.754% * 0.0496% (0.38 1.0 0.02 0.02) = 0.050% HA PRO 52 - HB3 GLU- 64 1.754% * 0.0496% (0.38 1.0 0.02 0.02) = 0.050% HA VAL 94 - HB3 GLU- 75 1.754% * 0.0488% (0.38 1.0 0.02 0.02) = 0.049% HA VAL 94 - HB3 GLU- 64 1.754% * 0.0486% (0.38 1.0 0.02 0.02) = 0.049% HA GLU- 64 - HB3 GLU- 75 1.754% * 0.0476% (0.37 1.0 0.02 0.02) = 0.048% HA GLU- 75 - HB3 GLU- 64 1.754% * 0.0461% (0.36 1.0 0.02 0.02) = 0.046% HA VAL 122 - HB3 GLU- 75 1.754% * 0.0413% (0.32 1.0 0.02 0.02) = 0.041% HA VAL 122 - HB3 GLU- 64 1.754% * 0.0412% (0.32 1.0 0.02 0.02) = 0.041% HA LEU 90 - HB3 GLU- 64 1.754% * 0.0373% (0.29 1.0 0.02 0.02) = 0.037% HA ASN 119 - HB3 GLU- 75 1.754% * 0.0313% (0.24 1.0 0.02 0.02) = 0.031% HA GLU- 107 - HB3 GLU- 75 1.754% * 0.0313% (0.24 1.0 0.02 0.02) = 0.031% HA ASN 119 - HB3 GLU- 64 1.754% * 0.0312% (0.24 1.0 0.02 0.02) = 0.031% HA GLU- 107 - HB3 GLU- 64 1.754% * 0.0312% (0.24 1.0 0.02 0.02) = 0.031% HA ASN 76 - HB3 GLU- 64 1.754% * 0.0291% (0.22 1.0 0.02 0.02) = 0.029% HB3 CYS 121 - HB3 GLU- 75 1.754% * 0.0271% (0.21 1.0 0.02 0.02) = 0.027% HB3 CYS 121 - HB3 GLU- 64 1.754% * 0.0271% (0.21 1.0 0.02 0.02) = 0.027% HA ALA 11 - HB3 GLU- 64 1.754% * 0.0250% (0.19 1.0 0.02 0.02) = 0.025% HA THR 106 - HB3 GLU- 75 1.754% * 0.0212% (0.16 1.0 0.02 0.02) = 0.021% HA THR 106 - HB3 GLU- 64 1.754% * 0.0211% (0.16 1.0 0.02 0.02) = 0.021% HA CYS 121 - HB3 GLU- 75 1.754% * 0.0194% (0.15 1.0 0.02 0.02) = 0.019% HA CYS 121 - HB3 GLU- 64 1.754% * 0.0193% (0.15 1.0 0.02 0.02) = 0.019% HA GLU- 56 - HB2 GLU- 18 1.754% * 0.0191% (0.15 1.0 0.02 0.02) = 0.019% HA SER 85 - HB2 GLU- 18 1.754% * 0.0186% (0.14 1.0 0.02 2.22) = 0.019% HA PRO 52 - HB2 GLU- 18 1.754% * 0.0186% (0.14 1.0 0.02 0.02) = 0.019% HA ARG+ 84 - HB2 GLU- 18 1.754% * 0.0186% (0.14 1.0 0.02 3.05) = 0.019% * HA VAL 94 - HB2 GLU- 18 1.754% * 0.0182% (0.14 1.0 0.02 3.64) = 0.018% HA GLU- 64 - HB2 GLU- 18 1.754% * 0.0178% (0.14 1.0 0.02 0.02) = 0.018% HA GLU- 75 - HB2 GLU- 18 1.754% * 0.0173% (0.13 1.0 0.02 0.02) = 0.017% HA VAL 122 - HB2 GLU- 18 1.754% * 0.0154% (0.12 1.0 0.02 0.02) = 0.015% HA PRO 59 - HB3 GLU- 75 1.754% * 0.0143% (0.11 1.0 0.02 0.22) = 0.014% HA LEU 90 - HB2 GLU- 18 1.754% * 0.0140% (0.11 1.0 0.02 0.02) = 0.014% HA ASN 119 - HB2 GLU- 18 1.754% * 0.0117% (0.09 1.0 0.02 0.02) = 0.012% HA GLU- 107 - HB2 GLU- 18 1.754% * 0.0117% (0.09 1.0 0.02 0.02) = 0.012% HA ASN 76 - HB2 GLU- 18 1.754% * 0.0109% (0.08 1.0 0.02 0.02) = 0.011% HB3 SER 49 - HB3 GLU- 64 1.754% * 0.0103% (0.08 1.0 0.02 0.80) = 0.010% HA ASP- 36 - HB3 GLU- 75 1.754% * 0.0102% (0.08 1.0 0.02 0.02) = 0.010% HA ASP- 36 - HB3 GLU- 64 1.754% * 0.0102% (0.08 1.0 0.02 0.02) = 0.010% HB3 CYS 121 - HB2 GLU- 18 1.754% * 0.0101% (0.08 1.0 0.02 0.22) = 0.010% HA ALA 11 - HB2 GLU- 18 1.754% * 0.0094% (0.07 1.0 0.02 0.02) = 0.009% HA THR 106 - HB2 GLU- 18 1.754% * 0.0079% (0.06 1.0 0.02 0.02) = 0.008% HA CYS 121 - HB2 GLU- 18 1.754% * 0.0072% (0.06 1.0 0.02 0.22) = 0.007% HA PRO 59 - HB2 GLU- 18 1.754% * 0.0054% (0.04 1.0 0.02 0.02) = 0.005% HB3 SER 49 - HB2 GLU- 18 1.754% * 0.0039% (0.03 1.0 0.02 0.02) = 0.004% HA ASP- 36 - HB2 GLU- 18 1.754% * 0.0038% (0.03 1.0 0.02 0.02) = 0.004% Reference assignment eliminated. Peak 2127 (3.16, 3.15, 31.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2128 (3.16, 1.77, 31.53 ppm): 3 chemical-shift based assignments, quality = 0.169, support = 1.7, residual support = 2.96: T HD3 ARG+ 84 - HB3 GLU- 18 33.333% * 96.6304% (0.17 10.00 1.74 3.05) = 96.630% kept HB3 PHE 34 - HB3 GLU- 18 33.333% * 3.2911% (0.23 1.00 0.43 0.59) = 3.291% kept HB3 HIS+ 98 - HB3 GLU- 18 33.333% * 0.0785% (0.12 1.00 0.02 0.02) = 0.079% Reference assignment not found: HD3 ARG+ 84 - HB2 ARG+ 84 Not enough quality. Peak unassigned. Peak 2129 (2.20, 1.76, 31.42 ppm): 15 chemical-shift based assignments, quality = 0.183, support = 3.91, residual support = 49.9: * O HG3 GLU- 18 - HB3 GLU- 18 6.667% * 92.6878% (0.18 10.0 1.00 4.19 53.83) = 92.688% kept HG2 PRO 112 - HB3 GLU- 18 6.667% * 4.7089% (0.36 1.0 1.00 0.50 0.12) = 4.709% kept T HA1 GLY 58 - HB3 GLU- 18 6.667% * 1.3080% (0.25 1.0 10.00 0.02 0.02) = 1.308% kept T HB3 GLU- 75 - HB3 GLU- 18 6.667% * 0.3263% (0.06 1.0 10.00 0.02 0.02) = 0.326% HG2 MET 126 - HB3 GLU- 18 6.667% * 0.1708% (0.32 1.0 1.00 0.02 0.02) = 0.171% HG3 MET 126 - HB3 GLU- 18 6.667% * 0.1525% (0.29 1.0 1.00 0.02 0.02) = 0.152% HG3 MET 97 - HB3 GLU- 18 6.667% * 0.1308% (0.25 1.0 1.00 0.02 0.02) = 0.131% HB2 GLU- 50 - HB3 GLU- 18 6.667% * 0.1078% (0.20 1.0 1.00 0.02 0.02) = 0.108% HB VAL 99 - HB3 GLU- 18 6.667% * 0.0783% (0.15 1.0 1.00 0.02 0.02) = 0.078% HB3 PRO 104 - HB3 GLU- 18 6.667% * 0.0715% (0.14 1.0 1.00 0.02 0.02) = 0.071% HG3 GLN 102 - HB3 GLU- 18 6.667% * 0.0715% (0.14 1.0 1.00 0.02 0.77) = 0.071% HB2 PRO 52 - HB3 GLU- 18 6.667% * 0.0529% (0.10 1.0 1.00 0.02 0.02) = 0.053% HG3 GLU- 109 - HB3 GLU- 18 6.667% * 0.0529% (0.10 1.0 1.00 0.02 0.02) = 0.053% HB2 ASP- 82 - HB3 GLU- 18 6.667% * 0.0424% (0.08 1.0 1.00 0.02 0.02) = 0.042% HG2 GLN 102 - HB3 GLU- 18 6.667% * 0.0377% (0.07 1.0 1.00 0.02 0.77) = 0.038% Peak 2130 (2.05, 1.77, 31.43 ppm): 14 chemical-shift based assignments, quality = 0.217, support = 0.282, residual support = 0.0411: T HB3 PRO 31 - HB3 GLU- 18 7.143% * 54.9194% (0.13 10.00 0.29 0.02) = 54.919% kept HG2 PRO 112 - HB3 GLU- 18 7.143% * 22.7379% (0.32 1.00 0.50 0.12) = 22.738% kept T HB3 GLU- 75 - HB3 GLU- 18 7.143% * 9.3758% (0.33 10.00 0.02 0.02) = 9.376% kept HG3 PRO 86 - HB3 GLU- 18 7.143% * 5.3385% (0.47 1.00 0.08 0.02) = 5.339% kept HB3 GLU- 54 - HB3 GLU- 18 7.143% * 2.4654% (0.21 1.00 0.08 0.02) = 2.465% kept HB2 GLU- 45 - HB3 GLU- 18 7.143% * 1.3213% (0.46 1.00 0.02 0.02) = 1.321% kept HB3 LYS+ 110 - HB3 GLU- 18 7.143% * 1.0794% (0.38 1.00 0.02 0.02) = 1.079% kept HG3 GLU- 64 - HB3 GLU- 18 7.143% * 0.6562% (0.23 1.00 0.02 0.02) = 0.656% HB3 GLU- 10 - HB3 GLU- 18 7.143% * 0.4598% (0.16 1.00 0.02 0.02) = 0.460% HB3 GLU- 64 - HB3 GLU- 18 7.143% * 0.4598% (0.16 1.00 0.02 0.02) = 0.460% HB VAL 62 - HB3 GLU- 18 7.143% * 0.4598% (0.16 1.00 0.02 0.02) = 0.460% HB ILE 101 - HB3 GLU- 18 7.143% * 0.3361% (0.12 1.00 0.02 0.52) = 0.336% HB3 GLU- 107 - HB3 GLU- 18 7.143% * 0.2080% (0.07 1.00 0.02 0.02) = 0.208% HG2 PRO 116 - HB3 GLU- 18 7.143% * 0.1824% (0.06 1.00 0.02 0.02) = 0.182% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 2132 (1.76, 2.02, 31.43 ppm): 22 chemical-shift based assignments, quality = 0.282, support = 2.67, residual support = 43.7: * O HB3 GLU- 18 - HB2 GLU- 18 4.545% * 66.6226% (0.23 10.0 1.00 2.52 53.83) = 66.623% kept HB2 LEU 17 - HB2 GLU- 18 4.545% * 23.7935% (0.43 1.0 1.00 3.89 33.07) = 23.794% kept HD3 PRO 59 - HB3 GLU- 75 4.545% * 4.7844% (0.41 1.0 1.00 0.82 0.22) = 4.784% kept HB ILE 48 - HB3 GLU- 75 4.545% * 2.6046% (0.23 1.0 1.00 0.79 0.02) = 2.605% kept HB2 LEU 17 - HB3 GLU- 75 4.545% * 0.6419% (0.39 1.0 1.00 0.11 0.25) = 0.642% T HB3 GLU- 18 - HB3 GLU- 75 4.545% * 0.6157% (0.21 1.0 10.00 0.02 0.02) = 0.616% HD3 PRO 59 - HB2 GLU- 18 4.545% * 0.1266% (0.44 1.0 1.00 0.02 0.02) = 0.127% HB2 LYS+ 117 - HB2 GLU- 18 4.545% * 0.0968% (0.34 1.0 1.00 0.02 0.02) = 0.097% HB3 LEU 23 - HB2 GLU- 18 4.545% * 0.0920% (0.32 1.0 1.00 0.02 0.02) = 0.092% HB2 LYS+ 117 - HB3 GLU- 75 4.545% * 0.0894% (0.31 1.0 1.00 0.02 0.02) = 0.089% HB3 LEU 23 - HB3 GLU- 75 4.545% * 0.0850% (0.30 1.0 1.00 0.02 0.02) = 0.085% HB ILE 48 - HB2 GLU- 18 4.545% * 0.0717% (0.25 1.0 1.00 0.02 0.02) = 0.072% HG2 ARG+ 84 - HB2 GLU- 18 4.545% * 0.0616% (0.21 1.0 1.00 0.02 3.05) = 0.062% HG2 ARG+ 84 - HB3 GLU- 75 4.545% * 0.0570% (0.20 1.0 1.00 0.02 0.02) = 0.057% HB2 ARG+ 84 - HB2 GLU- 18 4.545% * 0.0568% (0.20 1.0 1.00 0.02 3.05) = 0.057% HB2 ARG+ 84 - HB3 GLU- 75 4.545% * 0.0525% (0.18 1.0 1.00 0.02 0.02) = 0.052% HG3 ARG+ 53 - HB2 GLU- 18 4.545% * 0.0352% (0.12 1.0 1.00 0.02 0.02) = 0.035% HG3 ARG+ 53 - HB3 GLU- 75 4.545% * 0.0325% (0.11 1.0 1.00 0.02 0.02) = 0.033% HG3 LYS+ 63 - HB2 GLU- 18 4.545% * 0.0222% (0.08 1.0 1.00 0.02 0.02) = 0.022% HG3 LYS+ 63 - HB3 GLU- 75 4.545% * 0.0205% (0.07 1.0 1.00 0.02 0.02) = 0.020% HG2 PRO 31 - HB2 GLU- 18 4.545% * 0.0195% (0.07 1.0 1.00 0.02 0.02) = 0.020% HG2 PRO 31 - HB3 GLU- 75 4.545% * 0.0181% (0.06 1.0 1.00 0.02 0.02) = 0.018% Peak 2133 (1.12, 4.36, 72.96 ppm): 5 chemical-shift based assignments, quality = 0.898, support = 3.59, residual support = 16.9: * O QG2 THR 61 - HB THR 61 20.000% * 96.3723% (0.92 10.0 3.68 17.56) = 96.372% kept QG2 THR 79 - HB THR 61 20.000% * 3.4649% (0.45 1.0 1.47 0.80) = 3.465% kept HD3 LYS+ 111 - HB THR 61 20.000% * 0.0773% (0.73 1.0 0.02 0.02) = 0.077% HG3 LYS+ 32 - HB THR 61 20.000% * 0.0663% (0.63 1.0 0.02 0.40) = 0.066% QB ALA 33 - HB THR 61 20.000% * 0.0191% (0.18 1.0 0.02 0.02) = 0.019% Peak 2134 (0.96, 4.36, 72.99 ppm): 7 chemical-shift based assignments, quality = 0.595, support = 1.78, residual support = 9.93: * QG2 VAL 62 - HB THR 61 14.286% * 54.6256% (0.50 2.72 18.10) = 54.626% kept QG2 VAL 99 - HB THR 61 14.286% * 21.1168% (0.88 0.60 0.02) = 21.117% kept QG2 ILE 29 - HB THR 61 14.286% * 19.7333% (0.64 0.77 0.20) = 19.733% kept QG1 VAL 105 - HB THR 61 14.286% * 2.1631% (0.22 0.24 0.02) = 2.163% kept QG2 VAL 105 - HB THR 61 14.286% * 1.7168% (0.18 0.24 0.02) = 1.717% kept QG2 VAL 73 - HB THR 61 14.286% * 0.4866% (0.61 0.02 0.02) = 0.487% QD1 LEU 17 - HB THR 61 14.286% * 0.1577% (0.20 0.02 0.02) = 0.158% Peak 2135 (0.83, 1.76, 31.44 ppm): 8 chemical-shift based assignments, quality = 0.289, support = 2.35, residual support = 13.0: * QG1 VAL 94 - HB3 GLU- 18 12.500% * 46.8620% (0.31 2.87 3.64) = 46.862% kept QD2 LEU 17 - HB3 GLU- 18 12.500% * 34.0537% (0.25 2.58 33.07) = 34.054% kept QG1 VAL 13 - HB3 GLU- 18 12.500% * 14.1093% (0.33 0.82 0.02) = 14.109% kept HG2 LYS+ 117 - HB3 GLU- 18 12.500% * 4.0700% (0.29 0.27 0.02) = 4.070% kept QD1 ILE 29 - HB3 GLU- 18 12.500% * 0.3424% (0.33 0.02 0.02) = 0.342% QD2 LEU 90 - HB3 GLU- 18 12.500% * 0.2235% (0.21 0.02 0.02) = 0.223% QG2 VAL 13 - HB3 GLU- 18 12.500% * 0.2095% (0.20 0.02 0.02) = 0.210% QD2 LEU 67 - HB3 GLU- 18 12.500% * 0.1296% (0.12 0.02 0.02) = 0.130% Peak 2136 (0.71, 2.02, 31.69 ppm): 24 chemical-shift based assignments, quality = 0.365, support = 2.16, residual support = 11.1: T QG2 ILE 101 - HB3 GLU- 75 4.167% * 38.3310% (0.36 10.00 1.77 1.35) = 38.331% kept T QG2 VAL 65 - HB3 GLU- 64 4.167% * 18.7918% (0.16 10.00 2.98 26.51) = 18.792% kept QG1 VAL 65 - HB3 GLU- 64 4.167% * 16.0187% (0.64 1.00 4.11 26.51) = 16.019% kept QG2 ILE 101 - HB3 GLU- 64 4.167% * 4.5907% (0.68 1.00 1.11 0.02) = 4.591% kept T QG2 ILE 68 - HB3 GLU- 75 4.167% * 4.5719% (0.15 10.00 0.50 0.02) = 4.572% kept HG LEU 74 - HB3 GLU- 75 4.167% * 4.2615% (0.26 1.00 2.66 27.89) = 4.261% kept T QG2 VAL 94 - HB3 GLU- 75 4.167% * 4.1396% (0.15 10.00 0.46 0.02) = 4.140% kept QG2 ILE 48 - HB3 GLU- 64 4.167% * 3.9904% (0.63 1.00 1.04 2.82) = 3.990% kept QG2 THR 96 - HB3 GLU- 64 4.167% * 2.1850% (0.70 1.00 0.52 0.02) = 2.185% kept QG2 ILE 48 - HB3 GLU- 75 4.167% * 0.7243% (0.33 1.00 0.36 0.02) = 0.724% QG1 VAL 40 - HB3 GLU- 75 4.167% * 0.6723% (0.11 1.00 0.99 0.87) = 0.672% QD1 ILE 68 - HB3 GLU- 64 4.167% * 0.5274% (0.19 1.00 0.45 0.02) = 0.527% T QG2 THR 96 - HB3 GLU- 75 4.167% * 0.4397% (0.36 10.00 0.02 0.02) = 0.440% QD1 ILE 68 - HB3 GLU- 75 4.167% * 0.2318% (0.10 1.00 0.38 0.02) = 0.232% QG1 VAL 65 - HB3 GLU- 75 4.167% * 0.1582% (0.34 1.00 0.08 0.02) = 0.158% T QG2 VAL 65 - HB3 GLU- 75 4.167% * 0.0981% (0.08 10.00 0.02 0.02) = 0.098% HG LEU 74 - HB3 GLU- 64 4.167% * 0.0613% (0.51 1.00 0.02 0.02) = 0.061% QD1 ILE 19 - HB3 GLU- 64 4.167% * 0.0411% (0.34 1.00 0.02 0.02) = 0.041% QG2 VAL 94 - HB3 GLU- 64 4.167% * 0.0347% (0.29 1.00 0.02 0.02) = 0.035% QG2 ILE 68 - HB3 GLU- 64 4.167% * 0.0347% (0.29 1.00 0.02 0.02) = 0.035% HG12 ILE 19 - HB3 GLU- 64 4.167% * 0.0317% (0.26 1.00 0.02 0.02) = 0.032% QG1 VAL 40 - HB3 GLU- 64 4.167% * 0.0261% (0.22 1.00 0.02 0.02) = 0.026% QD1 ILE 19 - HB3 GLU- 75 4.167% * 0.0214% (0.18 1.00 0.02 0.02) = 0.021% HG12 ILE 19 - HB3 GLU- 75 4.167% * 0.0165% (0.14 1.00 0.02 0.02) = 0.017% Peak 2137 (8.72, 2.49, 31.14 ppm): 3 chemical-shift based assignments, quality = 0.575, support = 3.3, residual support = 39.8: * O HN VAL 40 - HB VAL 40 33.333% * 92.2067% (0.56 10.0 3.52 43.10) = 92.207% kept HN ILE 101 - HB VAL 40 33.333% * 4.5001% (0.68 1.0 0.80 0.59) = 4.500% kept HN GLU- 56 - HB VAL 40 33.333% * 3.2933% (0.72 1.0 0.56 0.53) = 3.293% kept Peak 2140 (7.33, 2.15, 31.04 ppm): 18 chemical-shift based assignments, quality = 0.825, support = 4.73, residual support = 67.4: * O HN VAL 47 - HB VAL 47 5.556% * 84.0320% (0.82 10.0 5.45 79.67) = 84.032% kept QD PHE 34 - HB VAL 47 5.556% * 6.2211% (0.88 1.0 1.38 2.97) = 6.221% kept QE PHE 34 - HB VAL 47 5.556% * 4.6768% (0.93 1.0 0.98 2.97) = 4.677% kept HZ2 TRP 51 - HB VAL 47 5.556% * 2.1947% (0.93 1.0 0.46 3.62) = 2.195% kept HZ PHE 34 - HB VAL 47 5.556% * 1.5073% (0.93 1.0 0.32 2.97) = 1.507% kept HN VAL 47 - HB3 GLU- 75 5.556% * 0.9198% (0.48 1.0 0.38 0.02) = 0.920% HN ARG+ 84 - HB VAL 47 5.556% * 0.0806% (0.79 1.0 0.02 0.02) = 0.081% HZ2 TRP 51 - HB3 GLU- 75 5.556% * 0.0551% (0.54 1.0 0.02 0.12) = 0.055% HZ PHE 34 - HB3 GLU- 75 5.556% * 0.0551% (0.54 1.0 0.02 0.02) = 0.055% QE PHE 34 - HB3 GLU- 75 5.556% * 0.0551% (0.54 1.0 0.02 0.02) = 0.055% QD PHE 34 - HB3 GLU- 75 5.556% * 0.0522% (0.51 1.0 0.02 0.02) = 0.052% HN ARG+ 84 - HB3 GLU- 75 5.556% * 0.0466% (0.46 1.0 0.02 0.02) = 0.047% HZ2 TRP 51 - HB2 GLU- 56 5.556% * 0.0182% (0.18 1.0 0.02 0.20) = 0.018% HZ PHE 34 - HB2 GLU- 56 5.556% * 0.0182% (0.18 1.0 0.02 0.96) = 0.018% QE PHE 34 - HB2 GLU- 56 5.556% * 0.0182% (0.18 1.0 0.02 0.96) = 0.018% QD PHE 34 - HB2 GLU- 56 5.556% * 0.0173% (0.17 1.0 0.02 0.96) = 0.017% HN VAL 47 - HB2 GLU- 56 5.556% * 0.0161% (0.16 1.0 0.02 0.02) = 0.016% HN ARG+ 84 - HB2 GLU- 56 5.556% * 0.0154% (0.15 1.0 0.02 0.02) = 0.015% Peak 2141 (4.70, 1.72, 31.19 ppm): 8 chemical-shift based assignments, quality = 0.965, support = 4.88, residual support = 63.5: * O HA GLN 16 - HB2 GLN 16 12.500% * 99.5954% (0.97 10.0 4.90 63.73) = 99.595% kept HA VAL 99 - HB2 GLN 16 12.500% * 0.0961% (0.94 1.0 0.02 0.02) = 0.096% HA THR 61 - HB2 GLN 16 12.500% * 0.0864% (0.84 1.0 0.02 0.02) = 0.086% HA THR 39 - HB2 GLN 16 12.500% * 0.0723% (0.70 1.0 0.02 0.02) = 0.072% HA2 GLY 30 - HB2 GLN 16 12.500% * 0.0644% (0.63 1.0 0.02 0.02) = 0.064% HA ASN 89 - HB2 GLN 16 12.500% * 0.0340% (0.33 1.0 0.02 0.02) = 0.034% HA LYS+ 20 - HB2 GLN 16 12.500% * 0.0340% (0.33 1.0 0.02 0.02) = 0.034% HA TYR 83 - HB2 GLN 16 12.500% * 0.0174% (0.17 1.0 0.02 0.02) = 0.017% Peak 2142 (4.69, 1.89, 31.14 ppm): 8 chemical-shift based assignments, quality = 0.76, support = 4.52, residual support = 63.5: * O HA GLN 16 - HB3 GLN 16 12.500% * 99.5965% (0.76 10.0 4.54 63.73) = 99.597% kept HA ASN 89 - HB3 GLN 16 12.500% * 0.0903% (0.69 1.0 0.02 0.02) = 0.090% HA VAL 99 - HB3 GLN 16 12.500% * 0.0805% (0.62 1.0 0.02 0.02) = 0.080% HA THR 61 - HB3 GLN 16 12.500% * 0.0605% (0.46 1.0 0.02 0.02) = 0.061% HA TYR 83 - HB3 GLN 16 12.500% * 0.0605% (0.46 1.0 0.02 0.02) = 0.061% HA THR 39 - HB3 GLN 16 12.500% * 0.0424% (0.33 1.0 0.02 0.02) = 0.042% HA2 GLY 30 - HB3 GLN 16 12.500% * 0.0346% (0.27 1.0 0.02 0.02) = 0.035% HA PRO 35 - HB3 GLN 16 12.500% * 0.0346% (0.27 1.0 0.02 0.02) = 0.035% Peak 2143 (4.26, 2.48, 31.16 ppm): 22 chemical-shift based assignments, quality = 0.855, support = 1.06, residual support = 1.13: HA GLU- 75 - HB VAL 40 4.545% * 27.9000% (0.97 1.27 0.87) = 27.900% kept HA ASN 119 - HB VAL 40 4.545% * 23.3434% (0.94 1.10 1.33) = 23.343% kept HA ASN 76 - HB VAL 40 4.545% * 22.6591% (0.91 1.10 2.12) = 22.659% kept HA GLU- 56 - HB VAL 40 4.545% * 17.3649% (0.86 0.89 0.53) = 17.365% kept HA ALA 42 - HB VAL 40 4.545% * 4.8750% (0.22 0.98 0.02) = 4.875% kept HA GLU- 64 - HB VAL 40 4.545% * 0.4320% (0.95 0.02 0.02) = 0.432% HA GLU- 107 - HB VAL 40 4.545% * 0.4234% (0.94 0.02 0.02) = 0.423% HA ALA 11 - HB VAL 40 4.545% * 0.3883% (0.86 0.02 0.02) = 0.388% HA SER 85 - HB VAL 40 4.545% * 0.2896% (0.64 0.02 0.02) = 0.290% HA ARG+ 84 - HB VAL 40 4.545% * 0.2896% (0.64 0.02 0.02) = 0.290% HA PRO 52 - HB VAL 40 4.545% * 0.2896% (0.64 0.02 0.02) = 0.290% HA PRO 59 - HB VAL 40 4.545% * 0.2896% (0.64 0.02 0.92) = 0.290% HA VAL 94 - HB VAL 40 4.545% * 0.2715% (0.60 0.02 0.02) = 0.271% HA VAL 122 - HB VAL 40 4.545% * 0.1840% (0.41 0.02 0.02) = 0.184% HA LYS+ 108 - HB VAL 40 4.545% * 0.1680% (0.37 0.02 0.02) = 0.168% HA GLU- 10 - HB VAL 40 4.545% * 0.1680% (0.37 0.02 0.02) = 0.168% HA GLU- 54 - HB VAL 40 4.545% * 0.1680% (0.37 0.02 0.02) = 0.168% HA LEU 90 - HB VAL 40 4.545% * 0.1527% (0.34 0.02 0.02) = 0.153% HB3 SER 49 - HB VAL 40 4.545% * 0.1158% (0.26 0.02 0.02) = 0.116% HB3 CYS 121 - HB VAL 40 4.545% * 0.0886% (0.20 0.02 0.02) = 0.089% HA SER 49 - HB VAL 40 4.545% * 0.0784% (0.17 0.02 0.02) = 0.078% HA THR 106 - HB VAL 40 4.545% * 0.0606% (0.13 0.02 0.02) = 0.061% Peak 2146 (1.89, 1.89, 31.12 ppm): 1 diagonal assignment: * HB3 GLN 16 - HB3 GLN 16 (0.93) kept Peak 2147 (1.69, 1.48, 31.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2148 (1.52, 1.74, 31.23 ppm): 8 chemical-shift based assignments, quality = 0.106, support = 0.819, residual support = 0.884: QG2 THR 24 - HB2 GLN 16 12.500% * 75.7390% (0.07 1.08 1.16) = 75.739% kept HG3 LYS+ 72 - HB2 GLN 16 12.500% * 5.5264% (0.29 0.02 0.02) = 5.526% kept HB2 LYS+ 72 - HB2 GLN 16 12.500% * 4.5549% (0.24 0.02 0.02) = 4.555% kept HG3 LYS+ 72 - HB3 GLU- 18 12.500% * 3.8701% (0.20 0.02 0.02) = 3.870% kept HD3 LYS+ 108 - HB2 GLN 16 12.500% * 3.6070% (0.19 0.02 0.02) = 3.607% kept HB2 LYS+ 72 - HB3 GLU- 18 12.500% * 3.1898% (0.17 0.02 0.02) = 3.190% kept HD3 LYS+ 108 - HB3 GLU- 18 12.500% * 2.5260% (0.13 0.02 0.02) = 2.526% kept QG2 THR 24 - HB3 GLU- 18 12.500% * 0.9867% (0.05 0.02 0.02) = 0.987% Not enough quality. Peak unassigned. Peak 2150 (0.90, 2.48, 31.14 ppm): 10 chemical-shift based assignments, quality = 0.95, support = 3.34, residual support = 42.2: * O QG2 VAL 40 - HB VAL 40 10.000% * 97.8764% (0.96 10.0 3.40 43.10) = 97.876% kept QG1 VAL 80 - HB VAL 40 10.000% * 1.5975% (0.74 1.0 0.42 0.12) = 1.598% kept QG1 VAL 47 - HB VAL 40 10.000% * 0.0988% (0.97 1.0 0.02 0.02) = 0.099% QG2 VAL 87 - HB VAL 40 10.000% * 0.0979% (0.96 1.0 0.02 0.02) = 0.098% QD1 LEU 67 - HB VAL 40 10.000% * 0.0979% (0.96 1.0 0.02 0.02) = 0.098% HG3 LYS+ 117 - HB VAL 40 10.000% * 0.0953% (0.93 1.0 0.02 0.02) = 0.095% QG2 VAL 125 - HB VAL 40 10.000% * 0.0406% (0.40 1.0 0.02 0.02) = 0.041% QG2 VAL 80 - HB VAL 40 10.000% * 0.0406% (0.40 1.0 0.02 0.12) = 0.041% HG3 LYS+ 110 - HB VAL 40 10.000% * 0.0305% (0.30 1.0 0.02 0.02) = 0.030% HG12 ILE 68 - HB VAL 40 10.000% * 0.0246% (0.24 1.0 0.02 0.02) = 0.025% Peak 2151 (0.73, 2.48, 31.15 ppm): 9 chemical-shift based assignments, quality = 0.93, support = 3.94, residual support = 42.4: * O QG1 VAL 40 - HB VAL 40 11.111% * 98.3971% (0.94 10.0 4.00 43.10) = 98.397% kept QG2 ILE 101 - HB VAL 40 11.111% * 1.0634% (0.43 1.0 0.47 0.59) = 1.063% kept QG2 VAL 65 - HB VAL 40 11.111% * 0.1031% (0.99 1.0 0.02 0.02) = 0.103% QD1 ILE 68 - HB VAL 40 11.111% * 0.1004% (0.96 1.0 0.02 0.02) = 0.100% HG3 LYS+ 66 - HB VAL 40 11.111% * 0.0984% (0.94 1.0 0.02 0.02) = 0.098% HG3 LYS+ 44 - HB VAL 40 11.111% * 0.0984% (0.94 1.0 0.02 0.30) = 0.098% QG2 ILE 48 - HB VAL 40 11.111% * 0.0643% (0.61 1.0 0.02 0.02) = 0.064% HG LEU 74 - HB VAL 40 11.111% * 0.0589% (0.56 1.0 0.02 11.48) = 0.059% QG2 THR 96 - HB VAL 40 11.111% * 0.0160% (0.15 1.0 0.02 0.02) = 0.016% Peak 2153 (8.92, 1.90, 30.88 ppm): 16 chemical-shift based assignments, quality = 0.366, support = 3.8, residual support = 26.8: * O HN GLN 102 - HB3 GLN 102 6.250% * 96.9108% (0.37 10.0 3.90 27.62) = 96.911% kept HN ARG+ 22 - HB3 GLN 102 6.250% * 2.6925% (0.26 1.0 0.78 0.11) = 2.693% kept HN PHE 21 - HB3 GLN 102 6.250% * 0.1043% (0.40 1.0 0.02 0.02) = 0.104% HN THR 96 - HB3 GLN 102 6.250% * 0.0826% (0.32 1.0 0.02 0.02) = 0.083% HN PHE 21 - HB3 GLN 16 6.250% * 0.0336% (0.13 1.0 0.02 0.02) = 0.034% HN GLN 102 - HB3 GLN 16 6.250% * 0.0312% (0.12 1.0 0.02 1.71) = 0.031% HN THR 96 - HB3 GLN 16 6.250% * 0.0266% (0.10 1.0 0.02 0.02) = 0.027% HN ARG+ 22 - HB3 GLN 16 6.250% * 0.0222% (0.08 1.0 0.02 0.02) = 0.022% HN PHE 21 - HB2 GLU- 75 6.250% * 0.0208% (0.08 1.0 0.02 0.02) = 0.021% HN GLN 102 - HB2 GLU- 75 6.250% * 0.0193% (0.07 1.0 0.02 0.55) = 0.019% HN THR 96 - HB2 GLU- 75 6.250% * 0.0164% (0.06 1.0 0.02 0.02) = 0.016% HN ARG+ 22 - HB2 GLU- 75 6.250% * 0.0138% (0.05 1.0 0.02 0.02) = 0.014% HN PHE 21 - HB2 GLU- 10 6.250% * 0.0077% (0.03 1.0 0.02 0.02) = 0.008% HN GLN 102 - HB2 GLU- 10 6.250% * 0.0071% (0.03 1.0 0.02 0.02) = 0.007% HN THR 96 - HB2 GLU- 10 6.250% * 0.0061% (0.02 1.0 0.02 0.02) = 0.006% HN ARG+ 22 - HB2 GLU- 10 6.250% * 0.0051% (0.02 1.0 0.02 0.51) = 0.005% Peak 2154 (8.78, 2.11, 30.80 ppm): 12 chemical-shift based assignments, quality = 0.736, support = 1.19, residual support = 1.31: HN THR 95 - HB2 GLU- 56 8.333% * 31.4255% (0.94 1.40 2.82) = 31.426% kept HN SER 69 - HB2 GLU- 56 8.333% * 22.0996% (0.85 1.09 0.92) = 22.100% kept HN SER 69 - HB3 GLU- 75 8.333% * 20.6173% (0.61 1.42 0.43) = 20.617% kept HN PHE 34 - HB2 GLU- 56 8.333% * 13.4007% (0.50 1.13 0.96) = 13.401% kept HN THR 95 - HB3 GLU- 75 8.333% * 6.3362% (0.67 0.39 0.02) = 6.336% kept HN VAL 62 - HB2 GLU- 56 8.333% * 5.3712% (0.32 0.70 0.02) = 5.371% kept HN SER 69 - HB VAL 47 8.333% * 0.3971% (0.07 0.23 0.02) = 0.397% HN PHE 34 - HB3 GLU- 75 8.333% * 0.1706% (0.36 0.02 0.02) = 0.171% HN VAL 62 - HB3 GLU- 75 8.333% * 0.1106% (0.23 0.02 0.02) = 0.111% HN THR 95 - HB VAL 47 8.333% * 0.0379% (0.08 0.02 0.02) = 0.038% HN PHE 34 - HB VAL 47 8.333% * 0.0201% (0.04 0.02 2.97) = 0.020% HN VAL 62 - HB VAL 47 8.333% * 0.0130% (0.03 0.02 0.02) = 0.013% Reference assignment not found: HN GLU- 56 - HB2 GLU- 56 Peak 2155 (8.77, 1.98, 30.81 ppm): 20 chemical-shift based assignments, quality = 0.703, support = 2.49, residual support = 1.88: HN THR 95 - HB3 GLU- 56 5.000% * 55.7039% (0.77 3.61 2.82) = 55.704% kept HN PHE 34 - HB3 GLU- 56 5.000% * 17.7152% (0.80 1.10 0.96) = 17.715% kept HN SER 69 - HB3 GLU- 56 5.000% * 13.7912% (0.58 1.18 0.92) = 13.791% kept HN VAL 62 - HB3 GLU- 56 5.000% * 8.3885% (0.62 0.67 0.02) = 8.389% kept HN SER 69 - HB2 GLU- 75 5.000% * 2.1300% (0.10 1.02 0.43) = 2.130% kept HN THR 95 - HB2 GLU- 18 5.000% * 1.6273% (0.03 2.68 0.02) = 1.627% kept HN PHE 34 - HB3 GLU- 109 5.000% * 0.1023% (0.25 0.02 0.02) = 0.102% HN THR 95 - HB3 GLU- 109 5.000% * 0.0980% (0.24 0.02 0.02) = 0.098% HN VAL 62 - HB3 GLU- 109 5.000% * 0.0792% (0.20 0.02 0.02) = 0.079% HN SER 69 - HB3 GLU- 109 5.000% * 0.0743% (0.18 0.02 0.02) = 0.074% HN PHE 34 - HB2 GLU- 75 5.000% * 0.0575% (0.14 0.02 0.02) = 0.057% HN THR 95 - HB2 GLU- 75 5.000% * 0.0551% (0.14 0.02 0.02) = 0.055% HN VAL 62 - HB2 GLU- 75 5.000% * 0.0445% (0.11 0.02 0.02) = 0.045% HN PHE 34 - HB2 HIS+ 14 5.000% * 0.0293% (0.07 0.02 0.02) = 0.029% HN THR 95 - HB2 HIS+ 14 5.000% * 0.0281% (0.07 0.02 0.02) = 0.028% HN VAL 62 - HB2 HIS+ 14 5.000% * 0.0227% (0.06 0.02 0.02) = 0.023% HN SER 69 - HB2 HIS+ 14 5.000% * 0.0213% (0.05 0.02 0.02) = 0.021% HN PHE 34 - HB2 GLU- 18 5.000% * 0.0127% (0.03 0.02 0.59) = 0.013% HN VAL 62 - HB2 GLU- 18 5.000% * 0.0098% (0.02 0.02 0.02) = 0.010% HN SER 69 - HB2 GLU- 18 5.000% * 0.0092% (0.02 0.02 0.02) = 0.009% Reference assignment not found: HN GLU- 56 - HB3 GLU- 56 Peak 2157 (4.47, 1.90, 30.85 ppm): 36 chemical-shift based assignments, quality = 0.746, support = 3.04, residual support = 26.1: * O HA GLN 102 - HB3 GLN 102 2.778% * 94.5184% (0.75 10.0 3.18 27.62) = 94.518% kept HA ILE 100 - HB3 GLN 102 2.778% * 3.8117% (0.75 1.0 0.81 0.14) = 3.812% kept HA LYS+ 32 - HB3 GLN 102 2.778% * 1.1168% (0.69 1.0 0.26 1.39) = 1.117% kept HA MET 126 - HB3 GLN 102 2.778% * 0.0956% (0.76 1.0 0.02 0.02) = 0.096% HA GLU- 50 - HB3 GLN 102 2.778% * 0.0507% (0.40 1.0 0.02 0.02) = 0.051% HA SER 77 - HB3 GLN 102 2.778% * 0.0396% (0.31 1.0 0.02 0.02) = 0.040% HA CYS 123 - HB3 GLN 102 2.778% * 0.0396% (0.31 1.0 0.02 0.02) = 0.040% HA MET 118 - HB3 GLN 102 2.778% * 0.0329% (0.26 1.0 0.02 0.02) = 0.033% HA MET 126 - HB3 GLN 16 2.778% * 0.0236% (0.19 1.0 0.02 0.02) = 0.024% HA GLN 102 - HB3 GLN 16 2.778% * 0.0234% (0.19 1.0 0.02 1.71) = 0.023% HA ILE 100 - HB3 GLN 16 2.778% * 0.0234% (0.19 1.0 0.02 0.02) = 0.023% HA LYS+ 32 - HB3 GLN 16 2.778% * 0.0214% (0.17 1.0 0.02 0.02) = 0.021% HA MET 126 - HB2 GLU- 75 2.778% * 0.0171% (0.14 1.0 0.02 0.02) = 0.017% HA ILE 100 - HB2 GLU- 75 2.778% * 0.0169% (0.13 1.0 0.02 0.02) = 0.017% HA GLN 102 - HB2 GLU- 75 2.778% * 0.0169% (0.13 1.0 0.02 0.55) = 0.017% HA LYS+ 32 - HB2 GLU- 75 2.778% * 0.0155% (0.12 1.0 0.02 0.02) = 0.015% HB THR 79 - HB3 GLN 102 2.778% * 0.0149% (0.12 1.0 0.02 0.02) = 0.015% HA GLU- 50 - HB3 GLN 16 2.778% * 0.0125% (0.10 1.0 0.02 0.90) = 0.013% HA CYS 123 - HB3 GLN 16 2.778% * 0.0098% (0.08 1.0 0.02 0.02) = 0.010% HA SER 77 - HB3 GLN 16 2.778% * 0.0098% (0.08 1.0 0.02 0.02) = 0.010% HA GLU- 50 - HB2 GLU- 75 2.778% * 0.0091% (0.07 1.0 0.02 0.72) = 0.009% HA MET 118 - HB3 GLN 16 2.778% * 0.0081% (0.06 1.0 0.02 0.02) = 0.008% HA MET 126 - HB2 GLU- 10 2.778% * 0.0080% (0.06 1.0 0.02 0.02) = 0.008% HA GLN 102 - HB2 GLU- 10 2.778% * 0.0079% (0.06 1.0 0.02 0.02) = 0.008% HA ILE 100 - HB2 GLU- 10 2.778% * 0.0079% (0.06 1.0 0.02 0.02) = 0.008% HA LYS+ 32 - HB2 GLU- 10 2.778% * 0.0072% (0.06 1.0 0.02 0.02) = 0.007% HA CYS 123 - HB2 GLU- 75 2.778% * 0.0071% (0.06 1.0 0.02 0.02) = 0.007% HA SER 77 - HB2 GLU- 75 2.778% * 0.0071% (0.06 1.0 0.02 0.02) = 0.007% HA MET 118 - HB2 GLU- 75 2.778% * 0.0059% (0.05 1.0 0.02 0.02) = 0.006% HA GLU- 50 - HB2 GLU- 10 2.778% * 0.0042% (0.03 1.0 0.02 0.02) = 0.004% HB THR 79 - HB3 GLN 16 2.778% * 0.0037% (0.03 1.0 0.02 0.02) = 0.004% HA SER 77 - HB2 GLU- 10 2.778% * 0.0033% (0.03 1.0 0.02 0.02) = 0.003% HA CYS 123 - HB2 GLU- 10 2.778% * 0.0033% (0.03 1.0 0.02 0.02) = 0.003% HA MET 118 - HB2 GLU- 10 2.778% * 0.0027% (0.02 1.0 0.02 0.02) = 0.003% HB THR 79 - HB2 GLU- 75 2.778% * 0.0027% (0.02 1.0 0.02 0.02) = 0.003% HB THR 79 - HB2 GLU- 10 2.778% * 0.0012% (0.01 1.0 0.02 0.02) = 0.001% Peak 2165 (1.67, 1.38, 30.75 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2166 (1.47, 1.67, 30.94 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2169 (0.90, 2.15, 31.04 ppm): 30 chemical-shift based assignments, quality = 0.883, support = 3.56, residual support = 64.3: * O QG1 VAL 47 - HB VAL 47 3.333% * 80.5713% (0.94 10.0 4.11 79.67) = 80.571% kept QG2 VAL 40 - HB3 GLU- 75 3.333% * 5.1067% (0.58 1.0 2.07 0.87) = 5.107% kept QD1 LEU 67 - HB VAL 47 3.333% * 4.2663% (0.95 1.0 1.05 0.46) = 4.266% kept QD1 LEU 67 - HB3 GLU- 75 3.333% * 3.9554% (0.60 1.0 1.55 0.26) = 3.955% kept QG1 VAL 47 - HB3 GLU- 75 3.333% * 2.3661% (0.59 1.0 0.94 0.02) = 2.366% kept QG1 VAL 80 - HB VAL 47 3.333% * 1.4479% (0.65 1.0 0.52 0.02) = 1.448% kept HG3 LYS+ 117 - HB3 GLU- 75 3.333% * 1.0263% (0.59 1.0 0.41 0.02) = 1.026% kept HG12 ILE 68 - HB3 GLU- 75 3.333% * 0.5243% (0.18 1.0 0.67 0.02) = 0.524% QG2 VAL 80 - HB3 GLU- 75 3.333% * 0.1091% (0.29 1.0 0.09 0.02) = 0.109% HG3 LYS+ 117 - HB VAL 47 3.333% * 0.0806% (0.94 1.0 0.02 0.02) = 0.081% QG2 VAL 40 - HB VAL 47 3.333% * 0.0785% (0.92 1.0 0.02 0.02) = 0.078% QG2 VAL 87 - HB VAL 47 3.333% * 0.0785% (0.92 1.0 0.02 0.02) = 0.078% QG2 VAL 87 - HB3 GLU- 75 3.333% * 0.0493% (0.58 1.0 0.02 0.02) = 0.049% QG2 VAL 80 - HB VAL 47 3.333% * 0.0396% (0.46 1.0 0.02 0.02) = 0.040% QG1 VAL 80 - HB3 GLU- 75 3.333% * 0.0351% (0.41 1.0 0.02 0.02) = 0.035% HG3 LYS+ 110 - HB VAL 47 3.333% * 0.0305% (0.36 1.0 0.02 0.02) = 0.031% QG2 VAL 125 - HB VAL 47 3.333% * 0.0277% (0.32 1.0 0.02 0.02) = 0.028% HG12 ILE 68 - HB VAL 47 3.333% * 0.0251% (0.29 1.0 0.02 0.02) = 0.025% QD1 LEU 67 - HB2 GLU- 56 3.333% * 0.0204% (0.24 1.0 0.02 0.02) = 0.020% HG3 LYS+ 117 - HB2 GLU- 56 3.333% * 0.0203% (0.24 1.0 0.02 0.02) = 0.020% QG1 VAL 47 - HB2 GLU- 56 3.333% * 0.0203% (0.24 1.0 0.02 0.02) = 0.020% QG2 VAL 40 - HB2 GLU- 56 3.333% * 0.0197% (0.23 1.0 0.02 0.53) = 0.020% QG2 VAL 87 - HB2 GLU- 56 3.333% * 0.0197% (0.23 1.0 0.02 0.02) = 0.020% HG3 LYS+ 110 - HB3 GLU- 75 3.333% * 0.0192% (0.22 1.0 0.02 0.02) = 0.019% QG2 VAL 125 - HB3 GLU- 75 3.333% * 0.0174% (0.20 1.0 0.02 0.02) = 0.017% QG1 VAL 80 - HB2 GLU- 56 3.333% * 0.0140% (0.16 1.0 0.02 0.02) = 0.014% QG2 VAL 80 - HB2 GLU- 56 3.333% * 0.0100% (0.12 1.0 0.02 0.02) = 0.010% HG3 LYS+ 110 - HB2 GLU- 56 3.333% * 0.0077% (0.09 1.0 0.02 0.02) = 0.008% QG2 VAL 125 - HB2 GLU- 56 3.333% * 0.0070% (0.08 1.0 0.02 0.02) = 0.007% HG12 ILE 68 - HB2 GLU- 56 3.333% * 0.0063% (0.07 1.0 0.02 0.02) = 0.006% Peak 2170 (0.74, 2.15, 31.19 ppm): 24 chemical-shift based assignments, quality = 0.561, support = 2.86, residual support = 18.3: QG2 ILE 48 - HB VAL 47 4.167% * 27.6822% (0.47 5.22 34.45) = 27.682% kept * HG3 LYS+ 44 - HB VAL 47 4.167% * 26.2915% (0.77 3.01 21.28) = 26.291% kept HG3 LYS+ 44 - HB3 GLU- 75 4.167% * 11.2891% (0.62 1.59 3.27) = 11.289% kept HG LEU 74 - HB3 GLU- 75 4.167% * 9.4068% (0.31 2.66 27.89) = 9.407% kept QG1 VAL 40 - HB3 GLU- 75 4.167% * 6.4331% (0.57 0.99 0.87) = 6.433% kept QG2 ILE 101 - HB3 GLU- 75 4.167% * 5.0167% (0.25 1.77 1.35) = 5.017% kept QG2 VAL 65 - HB VAL 47 4.167% * 3.1484% (0.75 0.37 0.02) = 3.148% kept HG3 LYS+ 66 - HB VAL 47 4.167% * 2.9399% (0.77 0.34 0.02) = 2.940% kept QD1 ILE 68 - HB3 GLU- 75 4.167% * 2.5345% (0.59 0.38 0.02) = 2.535% kept HG3 LYS+ 66 - HB3 GLU- 75 4.167% * 1.9041% (0.62 0.27 0.02) = 1.904% kept QG2 ILE 48 - HB3 GLU- 75 4.167% * 1.5647% (0.38 0.36 0.02) = 1.565% kept QG2 ILE 101 - HB VAL 47 4.167% * 1.1138% (0.30 0.32 0.02) = 1.114% kept QD1 ILE 68 - HB VAL 47 4.167% * 0.1647% (0.72 0.02 0.02) = 0.165% QG1 VAL 40 - HB VAL 47 4.167% * 0.1600% (0.70 0.02 0.02) = 0.160% QG2 VAL 65 - HB3 GLU- 75 4.167% * 0.1400% (0.61 0.02 0.02) = 0.140% HG LEU 74 - HB VAL 47 4.167% * 0.0868% (0.38 0.02 0.36) = 0.087% HG3 LYS+ 66 - HB2 GLU- 56 4.167% * 0.0195% (0.09 0.02 0.02) = 0.020% HG3 LYS+ 44 - HB2 GLU- 56 4.167% * 0.0195% (0.09 0.02 0.02) = 0.020% QG2 VAL 65 - HB2 GLU- 56 4.167% * 0.0192% (0.08 0.02 0.02) = 0.019% QD1 ILE 68 - HB2 GLU- 56 4.167% * 0.0184% (0.08 0.02 0.02) = 0.018% QG1 VAL 40 - HB2 GLU- 56 4.167% * 0.0179% (0.08 0.02 0.53) = 0.018% QG2 ILE 48 - HB2 GLU- 56 4.167% * 0.0119% (0.05 0.02 0.02) = 0.012% HG LEU 74 - HB2 GLU- 56 4.167% * 0.0097% (0.04 0.02 0.02) = 0.010% QG2 ILE 101 - HB2 GLU- 56 4.167% * 0.0078% (0.03 0.02 1.14) = 0.008% Peak 2171 (0.11, 2.15, 31.19 ppm): 3 chemical-shift based assignments, quality = 0.764, support = 3.38, residual support = 70.4: * O T QG2 VAL 47 - HB VAL 47 33.333% * 88.3537% (0.78 10.0 10.00 3.78 79.67) = 88.354% kept T QG2 VAL 47 - HB3 GLU- 75 33.333% * 11.5558% (0.62 1.0 10.00 0.33 0.02) = 11.556% kept T QG2 VAL 47 - HB2 GLU- 56 33.333% * 0.0905% (0.08 1.0 10.00 0.02 0.02) = 0.090% Peak 2172 (8.39, 2.01, 30.52 ppm): 10 chemical-shift based assignments, quality = 0.198, support = 2.56, residual support = 5.58: * HN LYS+ 108 - HB3 GLU- 107 10.000% * 93.6744% (0.19 2.73 5.96) = 93.674% kept HN GLY 71 - HB2 HIS+ 14 10.000% * 1.7315% (0.48 0.02 0.02) = 1.731% kept HN GLY 71 - HB3 GLU- 107 10.000% * 1.4981% (0.42 0.02 0.02) = 1.498% kept HN GLY 71 - HB3 GLU- 10 10.000% * 1.1995% (0.33 0.02 0.02) = 1.200% kept HN LYS+ 108 - HB2 HIS+ 14 10.000% * 0.7920% (0.22 0.02 0.02) = 0.792% HN LYS+ 108 - HB3 GLU- 10 10.000% * 0.5487% (0.15 0.02 0.02) = 0.549% HN GLY 71 - HB3 GLU- 75 10.000% * 0.2669% (0.07 0.02 0.02) = 0.267% HN LYS+ 108 - HB3 GLU- 75 10.000% * 0.1221% (0.03 0.02 0.02) = 0.122% HN GLY 71 - HB3 GLU- 56 10.000% * 0.1145% (0.03 0.02 0.02) = 0.115% HN LYS+ 108 - HB3 GLU- 56 10.000% * 0.0524% (0.01 0.02 0.02) = 0.052% Peak 2173 (8.29, 1.93, 30.53 ppm): 24 chemical-shift based assignments, quality = 0.461, support = 0.633, residual support = 0.107: HN ALA 91 - HB2 GLU- 10 4.167% * 31.6645% (0.78 0.53 0.02) = 31.664% kept HN ALA 91 - HB3 GLU- 109 4.167% * 25.0274% (0.32 1.02 0.29) = 25.027% kept HN ALA 91 - HB2 GLU- 75 4.167% * 19.9440% (0.36 0.71 0.12) = 19.944% kept HN ASN 89 - HB2 GLU- 75 4.167% * 9.1289% (0.33 0.36 0.02) = 9.129% kept HN VAL 99 - HB3 GLN 102 4.167% * 4.6742% (0.09 0.71 0.02) = 4.674% kept HN ASN 89 - HB3 GLU- 109 4.167% * 1.9329% (0.29 0.09 0.02) = 1.933% kept HN ASP- 28 - HB2 GLU- 10 4.167% * 1.4765% (0.96 0.02 0.02) = 1.476% kept HN ASN 89 - HB2 GLU- 10 4.167% * 1.0817% (0.71 0.02 0.02) = 1.082% kept HN ASP- 28 - HB2 GLU- 75 4.167% * 0.6925% (0.45 0.02 0.02) = 0.693% HN ASP- 28 - HB3 GLU- 109 4.167% * 0.6099% (0.40 0.02 0.02) = 0.610% HN ASP- 28 - HD3 LYS+ 63 4.167% * 0.4786% (0.31 0.02 0.02) = 0.479% HN ASP- 28 - HB3 GLN 102 4.167% * 0.4662% (0.30 0.02 0.02) = 0.466% HN VAL 99 - HB2 GLU- 10 4.167% * 0.4142% (0.27 0.02 0.02) = 0.414% HN ALA 91 - HD3 LYS+ 63 4.167% * 0.3866% (0.25 0.02 0.02) = 0.387% HN ALA 91 - HB3 GLN 102 4.167% * 0.3766% (0.25 0.02 0.02) = 0.377% HN ASN 89 - HD3 LYS+ 63 4.167% * 0.3506% (0.23 0.02 0.02) = 0.351% HN ASN 89 - HB3 GLN 102 4.167% * 0.3415% (0.22 0.02 0.02) = 0.342% HN VAL 99 - HB2 GLU- 75 4.167% * 0.1943% (0.13 0.02 0.02) = 0.194% HN VAL 99 - HB3 GLU- 109 4.167% * 0.1711% (0.11 0.02 0.02) = 0.171% HN ASP- 28 - HB3 ARG+ 53 4.167% * 0.1608% (0.10 0.02 0.02) = 0.161% HN VAL 99 - HD3 LYS+ 63 4.167% * 0.1342% (0.09 0.02 0.02) = 0.134% HN ALA 91 - HB3 ARG+ 53 4.167% * 0.1299% (0.08 0.02 0.02) = 0.130% HN ASN 89 - HB3 ARG+ 53 4.167% * 0.1178% (0.08 0.02 0.02) = 0.118% HN VAL 99 - HB3 ARG+ 53 4.167% * 0.0451% (0.03 0.02 0.02) = 0.045% Peak 2174 (7.03, 3.07, 30.40 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2175 (6.98, 3.03, 30.53 ppm): 1 chemical-shift based assignment, quality = 0.597, support = 0.02, residual support = 0.02: HD22 ASN 57 - HB3 HIS+ 14 100.000% *100.0000% (0.60 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 2176 (4.75, 3.20, 30.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2177 (4.75, 3.06, 30.41 ppm): 2 chemical-shift based assignments, quality = 0.0406, support = 0.687, residual support = 1.52: HA ASN 15 - HB3 HIS+ 14 50.000% * 97.8455% (0.04 0.70 1.56) = 97.845% kept HA LYS+ 20 - HB3 HIS+ 14 50.000% * 2.1545% (0.03 0.02 0.02) = 2.155% kept Not enough quality. Peak unassigned. Peak 2178 (4.58, 3.03, 30.52 ppm): 4 chemical-shift based assignments, quality = 0.767, support = 0.02, residual support = 0.02: HA LYS+ 78 - HB3 HIS+ 14 25.000% * 39.8694% (0.91 0.02 0.02) = 39.869% kept HA LYS+ 72 - HB3 HIS+ 14 25.000% * 38.7341% (0.89 0.02 0.02) = 38.734% kept HA ASP- 25 - HB3 HIS+ 14 25.000% * 14.7325% (0.34 0.02 0.02) = 14.732% kept HA LEU 17 - HB3 HIS+ 14 25.000% * 6.6640% (0.15 0.02 0.02) = 6.664% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 2179 (4.27, 2.11, 30.73 ppm): 66 chemical-shift based assignments, quality = 0.674, support = 3.26, residual support = 24.8: * O HA GLU- 56 - HB2 GLU- 56 1.515% * 52.2112% (0.78 10.0 3.87 29.00) = 52.211% kept O HA GLU- 75 - HB3 GLU- 75 1.515% * 39.8152% (0.59 10.0 2.97 24.21) = 39.815% kept HA VAL 94 - HB2 GLU- 56 1.515% * 2.9474% (0.70 1.0 1.26 1.53) = 2.947% kept HA ASN 76 - HB3 GLU- 75 1.515% * 1.3014% (0.41 1.0 0.96 0.02) = 1.301% kept HA GLU- 56 - HB3 GLU- 75 1.515% * 1.0286% (0.63 1.0 0.49 0.02) = 1.029% kept HA LEU 90 - HB3 GLU- 75 1.515% * 0.8895% (0.41 1.0 0.65 0.39) = 0.890% HA ALA 11 - HB3 GLU- 75 1.515% * 0.6417% (0.35 1.0 0.54 0.02) = 0.642% HB3 SER 49 - HB3 GLU- 75 1.515% * 0.1165% (0.13 1.0 0.26 0.02) = 0.117% HA GLU- 10 - HB3 GLU- 75 1.515% * 0.0799% (0.10 1.0 0.25 0.02) = 0.080% HA GLU- 64 - HB2 GLU- 56 1.515% * 0.0504% (0.75 1.0 0.02 0.02) = 0.050% HA GLU- 75 - HB2 GLU- 56 1.515% * 0.0494% (0.73 1.0 0.02 0.02) = 0.049% HA SER 85 - HB2 GLU- 56 1.515% * 0.0482% (0.72 1.0 0.02 0.02) = 0.048% HA ARG+ 84 - HB2 GLU- 56 1.515% * 0.0482% (0.72 1.0 0.02 0.02) = 0.048% HA PRO 52 - HB2 GLU- 56 1.515% * 0.0482% (0.72 1.0 0.02 0.02) = 0.048% HA GLU- 64 - HB3 GLU- 75 1.515% * 0.0406% (0.60 1.0 0.02 0.02) = 0.041% HA ARG+ 84 - HB3 GLU- 75 1.515% * 0.0389% (0.58 1.0 0.02 0.02) = 0.039% HA SER 85 - HB3 GLU- 75 1.515% * 0.0389% (0.58 1.0 0.02 0.02) = 0.039% HA PRO 52 - HB3 GLU- 75 1.515% * 0.0389% (0.58 1.0 0.02 0.02) = 0.039% HA VAL 122 - HB2 GLU- 56 1.515% * 0.0379% (0.56 1.0 0.02 0.02) = 0.038% HA VAL 94 - HB3 GLU- 75 1.515% * 0.0377% (0.56 1.0 0.02 0.02) = 0.038% HA ASN 119 - HB2 GLU- 56 1.515% * 0.0359% (0.53 1.0 0.02 0.02) = 0.036% HA GLU- 107 - HB2 GLU- 56 1.515% * 0.0359% (0.53 1.0 0.02 0.02) = 0.036% HA LEU 90 - HB2 GLU- 56 1.515% * 0.0338% (0.50 1.0 0.02 0.02) = 0.034% HA ASN 76 - HB2 GLU- 56 1.515% * 0.0338% (0.50 1.0 0.02 0.02) = 0.034% HA VAL 122 - HB3 GLU- 75 1.515% * 0.0306% (0.45 1.0 0.02 0.02) = 0.031% HA ALA 11 - HB2 GLU- 56 1.515% * 0.0296% (0.44 1.0 0.02 0.02) = 0.030% HA ASN 119 - HB3 GLU- 75 1.515% * 0.0289% (0.43 1.0 0.02 0.02) = 0.029% HA GLU- 107 - HB3 GLU- 75 1.515% * 0.0289% (0.43 1.0 0.02 0.02) = 0.029% HB3 CYS 121 - HB2 GLU- 56 1.515% * 0.0234% (0.35 1.0 0.02 0.02) = 0.023% HB3 CYS 121 - HB3 GLU- 75 1.515% * 0.0189% (0.28 1.0 0.02 0.02) = 0.019% HA THR 106 - HB2 GLU- 56 1.515% * 0.0178% (0.26 1.0 0.02 0.02) = 0.018% HA PRO 59 - HB2 GLU- 56 1.515% * 0.0178% (0.26 1.0 0.02 0.02) = 0.018% HA CYS 121 - HB2 GLU- 56 1.515% * 0.0161% (0.24 1.0 0.02 0.02) = 0.016% HA THR 106 - HB3 GLU- 75 1.515% * 0.0144% (0.21 1.0 0.02 0.02) = 0.014% HA PRO 59 - HB3 GLU- 75 1.515% * 0.0144% (0.21 1.0 0.02 0.22) = 0.014% HA CYS 121 - HB3 GLU- 75 1.515% * 0.0130% (0.19 1.0 0.02 0.02) = 0.013% HB3 SER 49 - HB2 GLU- 56 1.515% * 0.0110% (0.16 1.0 0.02 0.02) = 0.011% HA LYS+ 108 - HB2 GLU- 56 1.515% * 0.0081% (0.12 1.0 0.02 0.02) = 0.008% HA GLU- 54 - HB2 GLU- 56 1.515% * 0.0081% (0.12 1.0 0.02 0.10) = 0.008% HA GLU- 10 - HB2 GLU- 56 1.515% * 0.0081% (0.12 1.0 0.02 0.02) = 0.008% HA ASP- 36 - HB2 GLU- 56 1.515% * 0.0081% (0.12 1.0 0.02 0.02) = 0.008% HA GLU- 54 - HB3 GLU- 75 1.515% * 0.0065% (0.10 1.0 0.02 0.02) = 0.006% HA ASP- 36 - HB3 GLU- 75 1.515% * 0.0065% (0.10 1.0 0.02 0.02) = 0.006% HA LYS+ 108 - HB3 GLU- 75 1.515% * 0.0065% (0.10 1.0 0.02 0.02) = 0.006% HA GLU- 56 - HB VAL 47 1.515% * 0.0028% (0.04 1.0 0.02 0.02) = 0.003% HA GLU- 64 - HB VAL 47 1.515% * 0.0027% (0.04 1.0 0.02 0.02) = 0.003% HA GLU- 75 - HB VAL 47 1.515% * 0.0026% (0.04 1.0 0.02 0.02) = 0.003% HA ARG+ 84 - HB VAL 47 1.515% * 0.0026% (0.04 1.0 0.02 0.02) = 0.003% HA PRO 52 - HB VAL 47 1.515% * 0.0026% (0.04 1.0 0.02 0.02) = 0.003% HA SER 85 - HB VAL 47 1.515% * 0.0026% (0.04 1.0 0.02 0.02) = 0.003% HA VAL 94 - HB VAL 47 1.515% * 0.0025% (0.04 1.0 0.02 0.02) = 0.003% HA VAL 122 - HB VAL 47 1.515% * 0.0020% (0.03 1.0 0.02 0.02) = 0.002% HA GLU- 107 - HB VAL 47 1.515% * 0.0019% (0.03 1.0 0.02 0.02) = 0.002% HA ASN 119 - HB VAL 47 1.515% * 0.0019% (0.03 1.0 0.02 0.26) = 0.002% HA LEU 90 - HB VAL 47 1.515% * 0.0018% (0.03 1.0 0.02 0.02) = 0.002% HA ASN 76 - HB VAL 47 1.515% * 0.0018% (0.03 1.0 0.02 0.02) = 0.002% HA ALA 11 - HB VAL 47 1.515% * 0.0016% (0.02 1.0 0.02 0.02) = 0.002% HB3 CYS 121 - HB VAL 47 1.515% * 0.0012% (0.02 1.0 0.02 0.02) = 0.001% HA THR 106 - HB VAL 47 1.515% * 0.0010% (0.01 1.0 0.02 0.02) = 0.001% HA PRO 59 - HB VAL 47 1.515% * 0.0010% (0.01 1.0 0.02 0.02) = 0.001% HA CYS 121 - HB VAL 47 1.515% * 0.0009% (0.01 1.0 0.02 0.02) = 0.001% HB3 SER 49 - HB VAL 47 1.515% * 0.0006% (0.01 1.0 0.02 0.02) = 0.001% HA GLU- 54 - HB VAL 47 1.515% * 0.0004% (0.01 1.0 0.02 0.02) = 0.000% HA LYS+ 108 - HB VAL 47 1.515% * 0.0004% (0.01 1.0 0.02 0.02) = 0.000% HA GLU- 10 - HB VAL 47 1.515% * 0.0004% (0.01 1.0 0.02 0.02) = 0.000% HA ASP- 36 - HB VAL 47 1.515% * 0.0004% (0.01 1.0 0.02 0.02) = 0.000% Peak 2181 (4.23, 1.91, 30.50 ppm): 70 chemical-shift based assignments, quality = 0.506, support = 2.01, residual support = 10.1: * O T HA GLU- 10 - HB2 GLU- 10 1.429% * 82.0401% (0.57 10.0 10.00 2.21 9.88) = 82.040% kept HA GLU- 54 - HB3 ARG+ 53 1.429% * 5.9615% (0.33 1.0 1.00 2.48 31.86) = 5.961% kept HA ALA 11 - HB2 GLU- 10 1.429% * 1.9734% (0.26 1.0 1.00 1.05 2.95) = 1.973% kept HB3 SER 49 - HB3 GLN 102 1.429% * 1.8289% (0.25 1.0 1.00 1.01 0.68) = 1.829% kept HA GLU- 54 - HD3 LYS+ 63 1.429% * 1.5164% (0.55 1.0 1.00 0.38 0.02) = 1.516% kept T HA LYS+ 108 - HB2 GLU- 10 1.429% * 0.8204% (0.57 1.0 10.00 0.02 0.02) = 0.820% T HA GLU- 12 - HB2 GLU- 10 1.429% * 0.6284% (0.44 1.0 10.00 0.02 0.02) = 0.628% HA LYS+ 108 - HB3 GLN 102 1.429% * 0.4666% (0.48 1.0 1.00 0.14 0.02) = 0.467% HA GLU- 109 - HB3 GLN 102 1.429% * 0.3589% (0.50 1.0 1.00 0.10 0.02) = 0.359% T HA ASN 76 - HB2 GLU- 10 1.429% * 0.3120% (0.22 1.0 10.00 0.02 0.02) = 0.312% T HA GLU- 107 - HB2 GLU- 10 1.429% * 0.2823% (0.20 1.0 10.00 0.02 0.02) = 0.282% T HA ASN 119 - HB2 GLU- 10 1.429% * 0.2823% (0.20 1.0 10.00 0.02 0.02) = 0.282% T HA GLU- 10 - HB2 GLU- 75 1.429% * 0.2480% (0.17 1.0 10.00 0.02 0.02) = 0.248% T HA LYS+ 108 - HB2 GLU- 75 1.429% * 0.2480% (0.17 1.0 10.00 0.02 0.02) = 0.248% T HA ASP- 82 - HB2 GLU- 10 1.429% * 0.2281% (0.16 1.0 10.00 0.02 0.02) = 0.228% T HA GLU- 12 - HB2 GLU- 75 1.429% * 0.1899% (0.13 1.0 10.00 0.02 0.02) = 0.190% T HA ASN 76 - HB2 GLU- 75 1.429% * 0.0943% (0.07 1.0 10.00 0.02 0.02) = 0.094% HA SER 49 - HB2 GLU- 10 1.429% * 0.0915% (0.64 1.0 1.00 0.02 0.02) = 0.091% HA ALA 42 - HB2 GLU- 10 1.429% * 0.0907% (0.63 1.0 1.00 0.02 0.02) = 0.091% HA SER 49 - HD3 LYS+ 63 1.429% * 0.0890% (0.62 1.0 1.00 0.02 0.02) = 0.089% HA ALA 42 - HD3 LYS+ 63 1.429% * 0.0883% (0.61 1.0 1.00 0.02 0.02) = 0.088% HA GLU- 109 - HB2 GLU- 10 1.429% * 0.0865% (0.60 1.0 1.00 0.02 0.02) = 0.087% T HA GLU- 107 - HB2 GLU- 75 1.429% * 0.0853% (0.06 1.0 10.00 0.02 0.02) = 0.085% T HA ASN 119 - HB2 GLU- 75 1.429% * 0.0853% (0.06 1.0 10.00 0.02 0.02) = 0.085% HA GLU- 109 - HD3 LYS+ 63 1.429% * 0.0842% (0.59 1.0 1.00 0.02 0.02) = 0.084% HA GLU- 54 - HB2 GLU- 10 1.429% * 0.0820% (0.57 1.0 1.00 0.02 0.02) = 0.082% HA GLU- 10 - HD3 LYS+ 63 1.429% * 0.0799% (0.55 1.0 1.00 0.02 0.02) = 0.080% HA LYS+ 108 - HD3 LYS+ 63 1.429% * 0.0799% (0.55 1.0 1.00 0.02 0.02) = 0.080% HA SER 49 - HB3 GLN 102 1.429% * 0.0768% (0.53 1.0 1.00 0.02 0.68) = 0.077% HA ALA 42 - HB3 GLN 102 1.429% * 0.0761% (0.53 1.0 1.00 0.02 0.02) = 0.076% T HA ASP- 82 - HB2 GLU- 75 1.429% * 0.0689% (0.05 1.0 10.00 0.02 0.02) = 0.069% HA GLU- 54 - HB3 GLN 102 1.429% * 0.0689% (0.48 1.0 1.00 0.02 0.02) = 0.069% HA GLU- 10 - HB3 GLN 102 1.429% * 0.0689% (0.48 1.0 1.00 0.02 0.02) = 0.069% HA GLU- 12 - HD3 LYS+ 63 1.429% * 0.0612% (0.42 1.0 1.00 0.02 0.02) = 0.061% HA PRO 59 - HB2 GLU- 10 1.429% * 0.0592% (0.41 1.0 1.00 0.02 0.02) = 0.059% HA PRO 59 - HD3 LYS+ 63 1.429% * 0.0576% (0.40 1.0 1.00 0.02 0.02) = 0.058% HA SER 49 - HB3 ARG+ 53 1.429% * 0.0535% (0.37 1.0 1.00 0.02 0.02) = 0.054% HA ALA 42 - HB3 ARG+ 53 1.429% * 0.0531% (0.37 1.0 1.00 0.02 0.02) = 0.053% HA GLU- 12 - HB3 GLN 102 1.429% * 0.0527% (0.37 1.0 1.00 0.02 0.02) = 0.053% HA GLU- 109 - HB3 ARG+ 53 1.429% * 0.0506% (0.35 1.0 1.00 0.02 0.02) = 0.051% HA PRO 59 - HB3 GLN 102 1.429% * 0.0497% (0.35 1.0 1.00 0.02 0.02) = 0.050% HA LYS+ 108 - HB3 ARG+ 53 1.429% * 0.0480% (0.33 1.0 1.00 0.02 0.02) = 0.048% HA GLU- 10 - HB3 ARG+ 53 1.429% * 0.0480% (0.33 1.0 1.00 0.02 0.02) = 0.048% HB3 SER 49 - HB2 GLU- 10 1.429% * 0.0430% (0.30 1.0 1.00 0.02 0.02) = 0.043% HB3 SER 49 - HD3 LYS+ 63 1.429% * 0.0418% (0.29 1.0 1.00 0.02 0.02) = 0.042% HA GLU- 12 - HB3 ARG+ 53 1.429% * 0.0368% (0.26 1.0 1.00 0.02 0.02) = 0.037% HA ALA 11 - HD3 LYS+ 63 1.429% * 0.0366% (0.25 1.0 1.00 0.02 0.02) = 0.037% HA PRO 59 - HB3 ARG+ 53 1.429% * 0.0346% (0.24 1.0 1.00 0.02 0.02) = 0.035% HA ALA 11 - HB3 GLN 102 1.429% * 0.0316% (0.22 1.0 1.00 0.02 0.02) = 0.032% HA ASN 76 - HD3 LYS+ 63 1.429% * 0.0304% (0.21 1.0 1.00 0.02 0.02) = 0.030% HA SER 49 - HB2 GLU- 75 1.429% * 0.0276% (0.19 1.0 1.00 0.02 0.02) = 0.028% HA GLU- 107 - HD3 LYS+ 63 1.429% * 0.0275% (0.19 1.0 1.00 0.02 0.02) = 0.027% HA ASN 119 - HD3 LYS+ 63 1.429% * 0.0275% (0.19 1.0 1.00 0.02 0.02) = 0.027% HA ALA 42 - HB2 GLU- 75 1.429% * 0.0274% (0.19 1.0 1.00 0.02 0.02) = 0.027% HA ASN 76 - HB3 GLN 102 1.429% * 0.0262% (0.18 1.0 1.00 0.02 0.02) = 0.026% HA GLU- 109 - HB2 GLU- 75 1.429% * 0.0262% (0.18 1.0 1.00 0.02 0.02) = 0.026% HB3 SER 49 - HB3 ARG+ 53 1.429% * 0.0251% (0.17 1.0 1.00 0.02 0.02) = 0.025% HA GLU- 54 - HB2 GLU- 75 1.429% * 0.0248% (0.17 1.0 1.00 0.02 0.02) = 0.025% HA ASN 119 - HB3 GLN 102 1.429% * 0.0237% (0.16 1.0 1.00 0.02 0.02) = 0.024% HA GLU- 107 - HB3 GLN 102 1.429% * 0.0237% (0.16 1.0 1.00 0.02 0.02) = 0.024% HA ASP- 82 - HD3 LYS+ 63 1.429% * 0.0222% (0.15 1.0 1.00 0.02 0.02) = 0.022% HA ALA 11 - HB3 ARG+ 53 1.429% * 0.0220% (0.15 1.0 1.00 0.02 0.02) = 0.022% HA ASP- 82 - HB3 GLN 102 1.429% * 0.0191% (0.13 1.0 1.00 0.02 0.02) = 0.019% HA ASN 76 - HB3 ARG+ 53 1.429% * 0.0183% (0.13 1.0 1.00 0.02 0.02) = 0.018% HA PRO 59 - HB2 GLU- 75 1.429% * 0.0179% (0.12 1.0 1.00 0.02 0.22) = 0.018% HA GLU- 107 - HB3 ARG+ 53 1.429% * 0.0165% (0.11 1.0 1.00 0.02 0.02) = 0.017% HA ASN 119 - HB3 ARG+ 53 1.429% * 0.0165% (0.11 1.0 1.00 0.02 0.02) = 0.017% HA ASP- 82 - HB3 ARG+ 53 1.429% * 0.0133% (0.09 1.0 1.00 0.02 0.02) = 0.013% HB3 SER 49 - HB2 GLU- 75 1.429% * 0.0130% (0.09 1.0 1.00 0.02 0.02) = 0.013% HA ALA 11 - HB2 GLU- 75 1.429% * 0.0114% (0.08 1.0 1.00 0.02 0.02) = 0.011% Peak 2188 (3.20, 3.20, 30.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2196 (3.02, 3.02, 30.54 ppm): 1 diagonal assignment: * HB3 HIS+ 14 - HB3 HIS+ 14 (0.86) kept Peak 2211 (2.27, 2.02, 30.52 ppm): 40 chemical-shift based assignments, quality = 0.501, support = 1.45, residual support = 7.51: O T HG3 GLU- 107 - HB3 GLU- 107 2.500% * 51.3324% (0.55 10.0 10.00 2.11 6.21) = 51.332% kept * O T HG3 GLU- 75 - HB3 GLU- 75 2.500% * 17.5526% (0.19 10.0 10.00 1.48 24.21) = 17.553% kept T HG3 GLU- 75 - HB3 GLU- 107 2.500% * 13.4561% (0.95 1.0 10.00 0.30 0.02) = 13.456% kept T HG2 PRO 112 - HB3 GLU- 10 2.500% * 5.2636% (0.88 1.0 10.00 0.13 0.02) = 5.264% kept T HG2 PRO 112 - HB3 GLU- 75 2.500% * 5.1218% (0.19 1.0 10.00 0.59 0.30) = 5.122% kept HB2 LYS+ 44 - HB3 GLU- 75 2.500% * 1.4973% (0.14 1.0 1.00 2.30 3.27) = 1.497% kept T HG3 GLU- 75 - HB3 GLU- 10 2.500% * 0.8347% (0.89 1.0 10.00 0.02 0.02) = 0.835% T HG3 GLU- 75 - HB2 HIS+ 14 2.500% * 0.8217% (0.88 1.0 10.00 0.02 0.13) = 0.822% T HG3 GLU- 54 - HB3 GLU- 107 2.500% * 0.5865% (0.63 1.0 10.00 0.02 0.02) = 0.587% T HG3 GLU- 54 - HB3 GLU- 10 2.500% * 0.5509% (0.59 1.0 10.00 0.02 0.02) = 0.551% T HG3 GLU- 54 - HB2 HIS+ 14 2.500% * 0.5423% (0.58 1.0 10.00 0.02 0.02) = 0.542% T HG3 GLU- 107 - HB3 GLU- 10 2.500% * 0.4821% (0.52 1.0 10.00 0.02 0.02) = 0.482% T HG3 GLU- 107 - HB2 HIS+ 14 2.500% * 0.4746% (0.51 1.0 10.00 0.02 0.02) = 0.475% T HG3 GLU- 54 - HB3 GLU- 75 2.500% * 0.1158% (0.12 1.0 10.00 0.02 0.02) = 0.116% T HG3 GLU- 107 - HB3 GLU- 75 2.500% * 0.1014% (0.11 1.0 10.00 0.02 0.02) = 0.101% HB3 PRO 112 - HB3 GLU- 107 2.500% * 0.0905% (0.97 1.0 1.00 0.02 0.02) = 0.090% HB3 LYS+ 117 - HB3 GLU- 107 2.500% * 0.0889% (0.95 1.0 1.00 0.02 0.02) = 0.089% HG2 PRO 112 - HB3 GLU- 107 2.500% * 0.0876% (0.94 1.0 1.00 0.02 0.02) = 0.088% HB VAL 80 - HB3 GLU- 107 2.500% * 0.0858% (0.92 1.0 1.00 0.02 0.02) = 0.086% HB3 PRO 112 - HB3 GLU- 10 2.500% * 0.0850% (0.91 1.0 1.00 0.02 0.02) = 0.085% HB3 PRO 112 - HB2 HIS+ 14 2.500% * 0.0837% (0.90 1.0 1.00 0.02 0.02) = 0.084% HB3 LYS+ 117 - HB3 GLU- 10 2.500% * 0.0835% (0.89 1.0 1.00 0.02 0.02) = 0.083% HB3 LYS+ 117 - HB2 HIS+ 14 2.500% * 0.0822% (0.88 1.0 1.00 0.02 0.02) = 0.082% HG2 PRO 112 - HB2 HIS+ 14 2.500% * 0.0810% (0.87 1.0 1.00 0.02 0.02) = 0.081% HB VAL 80 - HB3 GLU- 10 2.500% * 0.0806% (0.86 1.0 1.00 0.02 0.02) = 0.081% HB VAL 80 - HB2 HIS+ 14 2.500% * 0.0793% (0.85 1.0 1.00 0.02 0.02) = 0.079% HB2 LYS+ 44 - HB3 GLU- 107 2.500% * 0.0658% (0.70 1.0 1.00 0.02 0.02) = 0.066% HB2 LYS+ 44 - HB3 GLU- 10 2.500% * 0.0618% (0.66 1.0 1.00 0.02 0.02) = 0.062% HB2 LYS+ 44 - HB2 HIS+ 14 2.500% * 0.0609% (0.65 1.0 1.00 0.02 0.02) = 0.061% HB3 PRO 112 - HB3 GLU- 75 2.500% * 0.0179% (0.19 1.0 1.00 0.02 0.30) = 0.018% HB3 LYS+ 117 - HB3 GLU- 75 2.500% * 0.0176% (0.19 1.0 1.00 0.02 0.02) = 0.018% HB VAL 80 - HB3 GLU- 75 2.500% * 0.0169% (0.18 1.0 1.00 0.02 0.02) = 0.017% HB3 ASN 15 - HB3 GLU- 107 2.500% * 0.0159% (0.17 1.0 1.00 0.02 0.02) = 0.016% HB3 PRO 116 - HB3 GLU- 107 2.500% * 0.0159% (0.17 1.0 1.00 0.02 0.02) = 0.016% HB3 ASN 15 - HB3 GLU- 10 2.500% * 0.0149% (0.16 1.0 1.00 0.02 0.02) = 0.015% HB3 PRO 116 - HB3 GLU- 10 2.500% * 0.0149% (0.16 1.0 1.00 0.02 0.02) = 0.015% HB3 ASN 15 - HB2 HIS+ 14 2.500% * 0.0147% (0.16 1.0 1.00 0.02 1.56) = 0.015% HB3 PRO 116 - HB2 HIS+ 14 2.500% * 0.0147% (0.16 1.0 1.00 0.02 0.02) = 0.015% HB3 ASN 15 - HB3 GLU- 75 2.500% * 0.0031% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB3 PRO 116 - HB3 GLU- 75 2.500% * 0.0031% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 2212 (2.22, 1.92, 30.53 ppm): 84 chemical-shift based assignments, quality = 0.386, support = 2.26, residual support = 16.4: * O T HG3 GLN 102 - HB3 GLN 102 1.190% * 41.9249% (0.51 10.0 10.00 3.00 27.62) = 41.925% kept O HG3 GLU- 10 - HB2 GLU- 10 1.190% * 32.3183% (0.41 10.0 1.00 1.93 9.88) = 32.318% kept O HG3 GLU- 109 - HB3 GLU- 109 1.190% * 11.6684% (0.17 10.0 1.00 1.63 6.66) = 11.668% kept HB2 PRO 52 - HB3 ARG+ 53 1.190% * 3.7299% (0.20 1.0 1.00 4.58 23.27) = 3.730% kept HG3 GLU- 18 - HB3 GLN 102 1.190% * 1.4904% (0.51 1.0 1.00 0.72 0.77) = 1.490% kept HG2 PRO 112 - HB3 GLN 102 1.190% * 1.2300% (0.51 1.0 1.00 0.59 0.02) = 1.230% kept T HG3 GLN 102 - HB2 GLU- 10 1.190% * 0.6854% (0.83 1.0 10.00 0.02 0.02) = 0.685% T HG3 MET 97 - HB2 GLU- 10 1.190% * 0.6161% (0.75 1.0 10.00 0.02 0.02) = 0.616% T HG3 MET 126 - HB2 GLU- 10 1.190% * 0.5501% (0.67 1.0 10.00 0.02 0.02) = 0.550% T HG3 MET 97 - HB3 GLN 102 1.190% * 0.3768% (0.46 1.0 10.00 0.02 0.02) = 0.377% T HG3 GLN 102 - HD3 LYS+ 63 1.190% * 0.3722% (0.45 1.0 10.00 0.02 0.02) = 0.372% HG2 PRO 112 - HD3 LYS+ 63 1.190% * 0.3675% (0.45 1.0 1.00 0.20 0.02) = 0.367% T HG3 GLN 16 - HB2 GLU- 10 1.190% * 0.3614% (0.44 1.0 10.00 0.02 0.02) = 0.361% HG2 PRO 112 - HB3 ARG+ 53 1.190% * 0.3506% (0.20 1.0 1.00 0.42 0.02) = 0.351% T HG3 MET 126 - HB3 GLN 102 1.190% * 0.3365% (0.41 1.0 10.00 0.02 0.02) = 0.336% T HG3 MET 97 - HD3 LYS+ 63 1.190% * 0.3345% (0.41 1.0 10.00 0.02 0.02) = 0.335% HB2 PRO 52 - HD3 LYS+ 63 1.190% * 0.3089% (0.44 1.0 1.00 0.17 1.23) = 0.309% T HG3 MET 126 - HD3 LYS+ 63 1.190% * 0.2987% (0.36 1.0 10.00 0.02 0.02) = 0.299% T HG3 GLN 16 - HB3 GLN 102 1.190% * 0.2211% (0.27 1.0 10.00 0.02 1.71) = 0.221% T HG3 GLN 16 - HD3 LYS+ 63 1.190% * 0.1962% (0.24 1.0 10.00 0.02 0.02) = 0.196% T HG3 GLN 102 - HB3 ARG+ 53 1.190% * 0.1684% (0.20 1.0 10.00 0.02 0.02) = 0.168% T HG3 MET 97 - HB3 ARG+ 53 1.190% * 0.1514% (0.18 1.0 10.00 0.02 0.02) = 0.151% T HG2 MET 126 - HB2 GLU- 10 1.190% * 0.1359% (0.17 1.0 10.00 0.02 0.02) = 0.136% T HG3 MET 126 - HB3 ARG+ 53 1.190% * 0.1351% (0.16 1.0 10.00 0.02 0.02) = 0.135% T HG3 GLN 16 - HB3 ARG+ 53 1.190% * 0.0888% (0.11 1.0 10.00 0.02 0.02) = 0.089% T HG2 MET 126 - HB3 GLN 102 1.190% * 0.0832% (0.10 1.0 10.00 0.02 0.02) = 0.083% T HG2 MET 126 - HD3 LYS+ 63 1.190% * 0.0738% (0.09 1.0 10.00 0.02 0.02) = 0.074% HG2 PRO 112 - HB2 GLU- 10 1.190% * 0.0687% (0.83 1.0 1.00 0.02 0.02) = 0.069% HG3 GLU- 18 - HB2 GLU- 10 1.190% * 0.0681% (0.83 1.0 1.00 0.02 0.02) = 0.068% HB2 GLU- 50 - HB2 GLU- 10 1.190% * 0.0663% (0.81 1.0 1.00 0.02 0.02) = 0.066% HG3 GLU- 109 - HB2 GLU- 10 1.190% * 0.0663% (0.81 1.0 1.00 0.02 0.02) = 0.066% HB2 PRO 52 - HB2 GLU- 10 1.190% * 0.0663% (0.81 1.0 1.00 0.02 0.02) = 0.066% HA1 GLY 58 - HB2 GLU- 10 1.190% * 0.0616% (0.75 1.0 1.00 0.02 0.02) = 0.062% HB3 GLU- 45 - HB2 GLU- 10 1.190% * 0.0417% (0.51 1.0 1.00 0.02 0.85) = 0.042% HB2 PRO 52 - HB3 GLN 102 1.190% * 0.0406% (0.49 1.0 1.00 0.02 0.02) = 0.041% HG3 GLU- 109 - HB3 GLN 102 1.190% * 0.0406% (0.49 1.0 1.00 0.02 0.02) = 0.041% HB2 GLU- 50 - HB3 GLN 102 1.190% * 0.0406% (0.49 1.0 1.00 0.02 0.02) = 0.041% HA1 GLY 58 - HB3 GLN 102 1.190% * 0.0377% (0.46 1.0 1.00 0.02 0.02) = 0.038% HG3 GLU- 18 - HD3 LYS+ 63 1.190% * 0.0370% (0.45 1.0 1.00 0.02 0.02) = 0.037% HG3 GLU- 109 - HD3 LYS+ 63 1.190% * 0.0360% (0.44 1.0 1.00 0.02 0.02) = 0.036% HB2 GLU- 50 - HD3 LYS+ 63 1.190% * 0.0360% (0.44 1.0 1.00 0.02 0.02) = 0.036% HA1 GLY 58 - HD3 LYS+ 63 1.190% * 0.0335% (0.41 1.0 1.00 0.02 0.02) = 0.033% T HG2 MET 126 - HB3 ARG+ 53 1.190% * 0.0334% (0.04 1.0 10.00 0.02 0.02) = 0.033% HG2 PRO 112 - HB2 GLU- 75 1.190% * 0.0265% (0.32 1.0 1.00 0.02 0.30) = 0.027% HG3 GLN 102 - HB2 GLU- 75 1.190% * 0.0265% (0.32 1.0 1.00 0.02 0.55) = 0.026% HG3 GLU- 18 - HB2 GLU- 75 1.190% * 0.0263% (0.32 1.0 1.00 0.02 0.02) = 0.026% HB2 PRO 52 - HB2 GLU- 75 1.190% * 0.0256% (0.31 1.0 1.00 0.02 0.02) = 0.026% HG3 GLU- 109 - HB2 GLU- 75 1.190% * 0.0256% (0.31 1.0 1.00 0.02 0.02) = 0.026% HB2 GLU- 50 - HB2 GLU- 75 1.190% * 0.0256% (0.31 1.0 1.00 0.02 0.72) = 0.026% HB3 GLU- 45 - HB3 GLN 102 1.190% * 0.0255% (0.31 1.0 1.00 0.02 0.02) = 0.025% HG3 MET 97 - HB2 GLU- 75 1.190% * 0.0238% (0.29 1.0 1.00 0.02 0.02) = 0.024% HA1 GLY 58 - HB2 GLU- 75 1.190% * 0.0238% (0.29 1.0 1.00 0.02 0.02) = 0.024% HB3 ASN 15 - HB2 GLU- 10 1.190% * 0.0234% (0.28 1.0 1.00 0.02 0.02) = 0.023% HB3 GLU- 45 - HD3 LYS+ 63 1.190% * 0.0226% (0.27 1.0 1.00 0.02 0.02) = 0.023% HG3 MET 126 - HB2 GLU- 75 1.190% * 0.0212% (0.26 1.0 1.00 0.02 0.02) = 0.021% HG3 GLU- 10 - HB3 GLN 102 1.190% * 0.0205% (0.25 1.0 1.00 0.02 0.02) = 0.020% HG3 GLU- 10 - HD3 LYS+ 63 1.190% * 0.0182% (0.22 1.0 1.00 0.02 0.02) = 0.018% HG3 GLU- 18 - HB3 ARG+ 53 1.190% * 0.0167% (0.20 1.0 1.00 0.02 0.02) = 0.017% HG3 GLU- 109 - HB3 ARG+ 53 1.190% * 0.0163% (0.20 1.0 1.00 0.02 0.02) = 0.016% HB2 GLU- 50 - HB3 ARG+ 53 1.190% * 0.0163% (0.20 1.0 1.00 0.02 0.02) = 0.016% HB3 GLU- 45 - HB2 GLU- 75 1.190% * 0.0161% (0.20 1.0 1.00 0.02 0.11) = 0.016% HA1 GLY 58 - HB3 ARG+ 53 1.190% * 0.0151% (0.18 1.0 1.00 0.02 0.02) = 0.015% HG2 PRO 112 - HB3 GLU- 109 1.190% * 0.0149% (0.18 1.0 1.00 0.02 0.02) = 0.015% HG3 GLN 102 - HB3 GLU- 109 1.190% * 0.0148% (0.18 1.0 1.00 0.02 0.02) = 0.015% HG3 GLU- 18 - HB3 GLU- 109 1.190% * 0.0147% (0.18 1.0 1.00 0.02 0.02) = 0.015% HB2 PRO 52 - HB3 GLU- 109 1.190% * 0.0143% (0.17 1.0 1.00 0.02 0.02) = 0.014% HB2 GLU- 50 - HB3 GLU- 109 1.190% * 0.0143% (0.17 1.0 1.00 0.02 0.02) = 0.014% HB3 ASN 15 - HB3 GLN 102 1.190% * 0.0143% (0.17 1.0 1.00 0.02 0.02) = 0.014% HG3 GLN 16 - HB2 GLU- 75 1.190% * 0.0140% (0.17 1.0 1.00 0.02 0.02) = 0.014% HG3 MET 97 - HB3 GLU- 109 1.190% * 0.0133% (0.16 1.0 1.00 0.02 0.02) = 0.013% HA1 GLY 58 - HB3 GLU- 109 1.190% * 0.0133% (0.16 1.0 1.00 0.02 0.02) = 0.013% HG3 GLU- 10 - HB2 GLU- 75 1.190% * 0.0129% (0.16 1.0 1.00 0.02 0.02) = 0.013% HB3 ASN 15 - HD3 LYS+ 63 1.190% * 0.0127% (0.15 1.0 1.00 0.02 0.02) = 0.013% HG3 MET 126 - HB3 GLU- 109 1.190% * 0.0119% (0.14 1.0 1.00 0.02 0.02) = 0.012% HB3 GLU- 45 - HB3 ARG+ 53 1.190% * 0.0102% (0.12 1.0 1.00 0.02 0.02) = 0.010% HB3 ASN 15 - HB2 GLU- 75 1.190% * 0.0090% (0.11 1.0 1.00 0.02 0.02) = 0.009% HB3 GLU- 45 - HB3 GLU- 109 1.190% * 0.0090% (0.11 1.0 1.00 0.02 0.02) = 0.009% HG3 GLU- 10 - HB3 ARG+ 53 1.190% * 0.0082% (0.10 1.0 1.00 0.02 0.02) = 0.008% HG3 GLN 16 - HB3 GLU- 109 1.190% * 0.0078% (0.09 1.0 1.00 0.02 0.02) = 0.008% HG3 GLU- 10 - HB3 GLU- 109 1.190% * 0.0072% (0.09 1.0 1.00 0.02 0.02) = 0.007% HB3 ASN 15 - HB3 ARG+ 53 1.190% * 0.0058% (0.07 1.0 1.00 0.02 0.02) = 0.006% HG2 MET 126 - HB2 GLU- 75 1.190% * 0.0052% (0.06 1.0 1.00 0.02 0.02) = 0.005% HB3 ASN 15 - HB3 GLU- 109 1.190% * 0.0051% (0.06 1.0 1.00 0.02 0.02) = 0.005% HG2 MET 126 - HB3 GLU- 109 1.190% * 0.0029% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 2222 (2.01, 2.02, 30.52 ppm): 4 diagonal assignments: HB3 GLU- 107 - HB3 GLU- 107 (0.95) kept HB2 HIS+ 14 - HB2 HIS+ 14 (0.81) kept HB3 GLU- 10 - HB3 GLU- 10 (0.73) kept * HB3 GLU- 75 - HB3 GLU- 75 (0.07) kept Peak 2225 (1.93, 1.91, 30.52 ppm): 5 diagonal assignments: * HB2 GLU- 10 - HB2 GLU- 10 (0.58) kept HD3 LYS+ 63 - HD3 LYS+ 63 (0.34) kept HB3 GLN 102 - HB3 GLN 102 (0.24) kept HB2 GLU- 75 - HB2 GLU- 75 (0.13) kept HB3 ARG+ 53 - HB3 ARG+ 53 (0.07) kept Peak 2244 (9.08, 1.90, 30.22 ppm): 6 chemical-shift based assignments, quality = 0.792, support = 4.1, residual support = 26.9: * HN GLU- 54 - HB3 ARG+ 53 16.667% * 84.3798% (0.79 4.77 31.86) = 84.380% kept HN LYS+ 66 - HB3 ARG+ 53 16.667% * 11.2778% (0.89 0.57 0.02) = 11.278% kept HN GLU- 54 - HD3 LYS+ 63 16.667% * 3.9507% (0.62 0.29 0.02) = 3.951% kept HN LYS+ 66 - HD3 LYS+ 63 16.667% * 0.3092% (0.69 0.02 0.02) = 0.309% HN LYS+ 66 - HB2 GLU- 10 16.667% * 0.0436% (0.10 0.02 0.02) = 0.044% HN GLU- 54 - HB2 GLU- 10 16.667% * 0.0389% (0.09 0.02 0.02) = 0.039% Peak 2245 (8.44, 1.90, 30.28 ppm): 20 chemical-shift based assignments, quality = 0.825, support = 4.77, residual support = 34.6: * O HN ARG+ 53 - HB3 ARG+ 53 5.000% * 89.2648% (0.84 10.0 5.24 38.79) = 89.265% kept HN CYS 123 - HB3 ARG+ 53 5.000% * 4.6396% (0.81 1.0 1.08 0.11) = 4.640% kept HN LEU 74 - HB3 ARG+ 53 5.000% * 2.3469% (0.78 1.0 0.57 0.02) = 2.347% kept HN LYS+ 117 - HD3 LYS+ 63 5.000% * 1.9782% (0.34 1.0 1.08 0.73) = 1.978% kept HN ARG+ 53 - HD3 LYS+ 63 5.000% * 1.4270% (0.80 1.0 0.34 0.02) = 1.427% kept HN CYS 123 - HD3 LYS+ 63 5.000% * 0.0814% (0.77 1.0 0.02 0.02) = 0.081% HN LEU 74 - HD3 LYS+ 63 5.000% * 0.0780% (0.74 1.0 0.02 0.02) = 0.078% HN LYS+ 117 - HB3 ARG+ 53 5.000% * 0.0386% (0.36 1.0 0.02 0.02) = 0.039% HN GLU- 107 - HB3 ARG+ 53 5.000% * 0.0286% (0.27 1.0 0.02 0.02) = 0.029% HN GLU- 107 - HD3 LYS+ 63 5.000% * 0.0271% (0.26 1.0 0.02 0.02) = 0.027% HN ARG+ 53 - HB2 GLU- 10 5.000% * 0.0193% (0.18 1.0 0.02 0.02) = 0.019% HN CYS 123 - HB2 GLU- 10 5.000% * 0.0186% (0.18 1.0 0.02 0.02) = 0.019% HN LEU 74 - HB2 GLU- 10 5.000% * 0.0178% (0.17 1.0 0.02 0.02) = 0.018% HN LYS+ 117 - HB2 GLU- 10 5.000% * 0.0084% (0.08 1.0 0.02 0.02) = 0.008% HN GLU- 107 - HB2 GLU- 10 5.000% * 0.0062% (0.06 1.0 0.02 0.02) = 0.006% HN ARG+ 53 - HB2 GLU- 75 5.000% * 0.0054% (0.05 1.0 0.02 0.02) = 0.005% HN CYS 123 - HB2 GLU- 75 5.000% * 0.0052% (0.05 1.0 0.02 0.02) = 0.005% HN LEU 74 - HB2 GLU- 75 5.000% * 0.0050% (0.05 1.0 0.02 27.89) = 0.005% HN LYS+ 117 - HB2 GLU- 75 5.000% * 0.0023% (0.02 1.0 0.02 0.02) = 0.002% HN GLU- 107 - HB2 GLU- 75 5.000% * 0.0017% (0.02 1.0 0.02 0.02) = 0.002% Peak 2263 (1.39, 1.41, 29.99 ppm): 1 diagonal assignment: * HD3 LYS+ 20 - HD3 LYS+ 20 (0.77) kept Peak 2264 (1.40, 1.38, 29.95 ppm): 1 diagonal assignment: * HD3 LYS+ 20 - HD3 LYS+ 20 (0.85) kept Peak 2265 (1.11, 1.58, 30.00 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2266 (1.04, 1.41, 29.98 ppm): 2 chemical-shift based assignments, quality = 0.705, support = 2.57, residual support = 34.4: * O HG3 LYS+ 20 - HD3 LYS+ 20 50.000% * 99.9611% (0.71 10.0 2.57 34.46) = 99.961% kept HG3 LYS+ 20 - HD3 LYS+ 113 50.000% * 0.0389% (0.27 1.0 0.02 0.02) = 0.039% Peak 2267 (1.04, 1.40, 29.97 ppm): 2 chemical-shift based assignments, quality = 0.923, support = 2.57, residual support = 34.5: * O HG3 LYS+ 20 - HD3 LYS+ 20 50.000% * 99.9863% (0.92 10.0 2.57 34.46) = 99.986% kept HG3 LYS+ 20 - HD3 LYS+ 113 50.000% * 0.0137% (0.13 1.0 0.02 0.02) = 0.014% Peak 2268 (0.92, 1.58, 30.00 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2270 (8.99, 4.31, 70.99 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2271 (7.22, 3.70, 29.45 ppm): 2 chemical-shift based assignments, quality = 0.455, support = 4.18, residual support = 43.5: * O HN TRP 51 - HB2 TRP 51 50.000% * 96.0374% (0.47 10.0 4.26 43.48) = 96.037% kept HH2 TRP 51 - HB2 TRP 51 50.000% * 3.9626% (0.17 1.0 2.27 43.48) = 3.963% kept Peak 2272 (7.21, 3.03, 29.45 ppm): 2 chemical-shift based assignments, quality = 0.384, support = 4.51, residual support = 43.5: * O HN TRP 51 - HB3 TRP 51 50.000% * 93.5431% (0.39 10.0 4.68 43.48) = 93.543% kept HH2 TRP 51 - HB3 TRP 51 50.000% * 6.4569% (0.27 1.0 2.01 43.48) = 6.457% kept Peak 2273 (3.70, 3.70, 29.47 ppm): 1 diagonal assignment: * HB2 TRP 51 - HB2 TRP 51 (0.58) kept Peak 2274 (3.70, 3.04, 29.47 ppm): 3 chemical-shift based assignments, quality = 0.392, support = 3.4, residual support = 43.4: * O T HB2 TRP 51 - HB3 TRP 51 33.333% * 99.7997% (0.39 10.0 10.00 3.41 43.48) = 99.800% kept HA LYS+ 81 - HB3 TRP 51 33.333% * 0.1025% (0.40 1.0 1.00 0.02 0.02) = 0.102% HB3 SER 69 - HB3 TRP 51 33.333% * 0.0978% (0.38 1.0 1.00 0.02 0.02) = 0.098% Peak 2275 (3.04, 3.70, 29.49 ppm): 2 chemical-shift based assignments, quality = 0.31, support = 3.27, residual support = 40.9: * O T HB3 TRP 51 - HB2 TRP 51 50.000% * 93.9830% (0.31 10.0 10.00 3.41 43.48) = 93.983% kept HB3 HIS+ 14 - HB2 TRP 51 50.000% * 6.0170% (0.35 1.0 1.00 1.12 0.14) = 6.017% kept Peak 2276 (2.89, 1.57, 29.33 ppm): 10 chemical-shift based assignments, quality = 0.311, support = 0.939, residual support = 46.8: * O HE3 LYS+ 81 - HD3 LYS+ 81 10.000% * 90.2676% (0.33 10.0 1.00 1.00 51.84) = 90.268% kept T HE3 LYS+ 60 - HD3 LYS+ 81 10.000% * 7.6382% (0.07 1.0 10.00 0.42 0.13) = 7.638% kept HB2 HIS+ 98 - HD3 LYS+ 81 10.000% * 1.6611% (0.23 1.0 1.00 0.27 0.39) = 1.661% kept HB3 ASN 57 - HD3 LYS+ 81 10.000% * 0.1973% (0.37 1.0 1.00 0.02 0.02) = 0.197% HB3 ASN 57 - HD3 LYS+ 32 10.000% * 0.0611% (0.11 1.0 1.00 0.02 0.02) = 0.061% HE3 LYS+ 81 - HD3 LYS+ 32 10.000% * 0.0559% (0.10 1.0 1.00 0.02 0.02) = 0.056% HB2 CYS 121 - HD3 LYS+ 81 10.000% * 0.0526% (0.10 1.0 1.00 0.02 0.02) = 0.053% HB2 HIS+ 98 - HD3 LYS+ 32 10.000% * 0.0385% (0.07 1.0 1.00 0.02 0.02) = 0.039% HB2 CYS 121 - HD3 LYS+ 32 10.000% * 0.0163% (0.03 1.0 1.00 0.02 0.02) = 0.016% HE3 LYS+ 60 - HD3 LYS+ 32 10.000% * 0.0113% (0.02 1.0 1.00 0.02 0.16) = 0.011% Peak 2281 (8.79, 4.00, 70.73 ppm): 4 chemical-shift based assignments, quality = 0.84, support = 4.37, residual support = 29.4: * O HN THR 95 - HB THR 95 25.000% * 97.8931% (0.84 10.0 4.46 30.02) = 97.893% kept HN SER 69 - HB THR 95 25.000% * 2.0621% (0.89 1.0 0.40 0.02) = 2.062% kept HN PHE 34 - HB THR 95 25.000% * 0.0288% (0.25 1.0 0.02 0.02) = 0.029% HN VAL 62 - HB THR 95 25.000% * 0.0160% (0.14 1.0 0.02 0.02) = 0.016% Peak 2282 (8.36, 1.73, 29.27 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2283 (8.23, 2.04, 29.25 ppm): 20 chemical-shift based assignments, quality = 0.55, support = 4.6, residual support = 57.9: * O HN GLU- 45 - HB2 GLU- 45 5.000% * 77.8914% (0.52 10.0 5.66 73.84) = 77.891% kept HN SER 49 - HB2 GLU- 45 5.000% * 7.4385% (0.79 1.0 1.25 4.72) = 7.439% kept HN VAL 105 - HB2 GLU- 45 5.000% * 4.3570% (0.72 1.0 0.81 0.32) = 4.357% kept HN LYS+ 81 - HB2 GLU- 45 5.000% * 3.7194% (0.59 1.0 0.84 0.23) = 3.719% kept HN ALA 11 - HB2 GLU- 45 5.000% * 2.8191% (0.59 1.0 0.64 0.88) = 2.819% kept HN GLU- 12 - HB2 GLU- 45 5.000% * 1.8145% (0.49 1.0 0.50 0.02) = 1.814% kept HN LEU 67 - HB2 GLU- 45 5.000% * 1.0862% (0.59 1.0 0.25 0.02) = 1.086% kept HN GLY 58 - HB2 GLU- 45 5.000% * 0.5055% (0.69 1.0 0.10 0.02) = 0.506% HN VAL 94 - HB2 GLU- 45 5.000% * 0.1114% (0.75 1.0 0.02 0.02) = 0.111% HN SER 49 - HB3 GLU- 54 5.000% * 0.0317% (0.21 1.0 0.02 0.02) = 0.032% HN VAL 94 - HB3 GLU- 54 5.000% * 0.0298% (0.20 1.0 0.02 0.02) = 0.030% HN VAL 105 - HB3 GLU- 54 5.000% * 0.0287% (0.19 1.0 0.02 0.02) = 0.029% HN GLY 58 - HB3 GLU- 54 5.000% * 0.0275% (0.18 1.0 0.02 0.02) = 0.027% HN ALA 11 - HB3 GLU- 54 5.000% * 0.0236% (0.16 1.0 0.02 0.02) = 0.024% HN LEU 67 - HB3 GLU- 54 5.000% * 0.0236% (0.16 1.0 0.02 0.02) = 0.024% HN LYS+ 81 - HB3 GLU- 54 5.000% * 0.0236% (0.16 1.0 0.02 0.02) = 0.024% HN THR 106 - HB2 GLU- 45 5.000% * 0.0225% (0.15 1.0 0.02 0.02) = 0.022% HN GLU- 45 - HB3 GLU- 54 5.000% * 0.0208% (0.14 1.0 0.02 0.02) = 0.021% HN GLU- 12 - HB3 GLU- 54 5.000% * 0.0194% (0.13 1.0 0.02 0.02) = 0.019% HN THR 106 - HB3 GLU- 54 5.000% * 0.0060% (0.04 1.0 0.02 0.02) = 0.006% Peak 2284 (7.32, 1.46, 29.21 ppm): 14 chemical-shift based assignments, quality = 0.749, support = 4.45, residual support = 57.4: HN VAL 47 - HG13 ILE 48 7.143% * 56.4359% (0.95 4.84 34.45) = 56.436% kept * HN ILE 48 - HG13 ILE 48 7.143% * 25.1950% (0.33 6.32 149.82) = 25.195% kept QD PHE 34 - HG13 ILE 48 7.143% * 8.6495% (0.93 0.76 1.37) = 8.649% kept QE PHE 34 - HG13 ILE 48 7.143% * 5.0405% (0.58 0.71 1.37) = 5.040% kept HZ PHE 34 - HG13 ILE 48 7.143% * 3.6316% (0.58 0.51 1.37) = 3.632% kept HZ2 TRP 51 - HG13 ILE 48 7.143% * 0.7847% (0.58 0.11 0.02) = 0.785% HN ARG+ 84 - HG13 ILE 48 7.143% * 0.2336% (0.95 0.02 0.02) = 0.234% HN ARG+ 84 - HD3 LYS+ 108 7.143% * 0.0057% (0.02 0.02 0.02) = 0.006% HN VAL 47 - HD3 LYS+ 108 7.143% * 0.0057% (0.02 0.02 0.02) = 0.006% QD PHE 34 - HD3 LYS+ 108 7.143% * 0.0056% (0.02 0.02 0.02) = 0.006% QE PHE 34 - HD3 LYS+ 108 7.143% * 0.0034% (0.01 0.02 0.02) = 0.003% HZ2 TRP 51 - HD3 LYS+ 108 7.143% * 0.0034% (0.01 0.02 0.02) = 0.003% HZ PHE 34 - HD3 LYS+ 108 7.143% * 0.0034% (0.01 0.02 0.02) = 0.003% HN ILE 48 - HD3 LYS+ 108 7.143% * 0.0019% (0.01 0.02 0.02) = 0.002% Peak 2285 (4.47, 2.39, 29.25 ppm): 8 chemical-shift based assignments, quality = 0.551, support = 1.92, residual support = 22.3: * O HA GLU- 50 - HB3 GLU- 50 12.500% * 99.3910% (0.55 10.0 1.93 22.41) = 99.391% kept HA ILE 100 - HB3 GLU- 50 12.500% * 0.1319% (0.71 1.0 0.02 1.00) = 0.132% HA GLN 102 - HB3 GLU- 50 12.500% * 0.1319% (0.71 1.0 0.02 0.02) = 0.132% HA MET 126 - HB3 GLU- 50 12.500% * 0.1167% (0.63 1.0 0.02 0.02) = 0.117% HA LYS+ 32 - HB3 GLU- 50 12.500% * 0.0924% (0.50 1.0 0.02 0.02) = 0.092% HA MET 118 - HB3 GLU- 50 12.500% * 0.0762% (0.41 1.0 0.02 0.02) = 0.076% HA SER 77 - HB3 GLU- 50 12.500% * 0.0300% (0.16 1.0 0.02 0.02) = 0.030% HA CYS 123 - HB3 GLU- 50 12.500% * 0.0300% (0.16 1.0 0.02 0.02) = 0.030% Peak 2286 (4.46, 1.75, 29.23 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2287 (4.41, 4.00, 70.67 ppm): 14 chemical-shift based assignments, quality = 0.831, support = 2.6, residual support = 29.8: * O HA THR 95 - HB THR 95 7.143% * 99.1152% (0.84 10.0 2.62 30.02) = 99.115% kept HA PRO 112 - HB THR 95 7.143% * 0.1143% (0.97 1.0 0.02 0.02) = 0.114% HA PRO 116 - HB THR 95 7.143% * 0.1133% (0.96 1.0 0.02 0.02) = 0.113% HA PRO 86 - HB THR 95 7.143% * 0.1103% (0.93 1.0 0.02 0.02) = 0.110% HA PRO 104 - HB THR 95 7.143% * 0.1081% (0.91 1.0 0.02 0.02) = 0.108% HA HIS+ 14 - HB THR 95 7.143% * 0.0991% (0.84 1.0 0.02 0.02) = 0.099% HA ASN 57 - HB THR 95 7.143% * 0.0954% (0.81 1.0 0.02 0.02) = 0.095% HA LYS+ 66 - HB THR 95 7.143% * 0.0739% (0.63 1.0 0.02 0.90) = 0.074% HA SER 88 - HB THR 95 7.143% * 0.0512% (0.43 1.0 0.02 0.02) = 0.051% HA ALA 91 - HB THR 95 7.143% * 0.0390% (0.33 1.0 0.02 0.02) = 0.039% HA LYS+ 111 - HB THR 95 7.143% * 0.0226% (0.19 1.0 0.02 0.02) = 0.023% HB THR 24 - HB THR 95 7.143% * 0.0200% (0.17 1.0 0.02 0.02) = 0.020% HA SER 27 - HB THR 95 7.143% * 0.0200% (0.17 1.0 0.02 0.02) = 0.020% HA ALA 37 - HB THR 95 7.143% * 0.0176% (0.15 1.0 0.02 0.02) = 0.018% Peak 2289 (4.28, 1.65, 29.22 ppm): 18 chemical-shift based assignments, quality = 0.586, support = 0.0733, residual support = 0.02: HA SER 85 - HB3 MET 126 5.556% * 28.3029% (0.75 0.10 0.02) = 28.303% kept HB3 SER 49 - HB3 MET 126 5.556% * 12.0196% (0.13 0.26 0.02) = 12.020% kept HA VAL 94 - HB3 MET 126 5.556% * 5.4603% (0.76 0.02 0.02) = 5.460% kept HA ARG+ 84 - HB3 MET 126 5.556% * 5.3999% (0.75 0.02 0.02) = 5.400% kept HA VAL 122 - HB3 MET 126 5.556% * 5.3999% (0.75 0.02 0.02) = 5.400% kept HA PRO 52 - HB3 MET 126 5.556% * 5.3999% (0.75 0.02 0.02) = 5.400% kept HA LEU 90 - HB3 MET 126 5.556% * 5.2113% (0.73 0.02 0.02) = 5.211% kept HA GLU- 56 - HB3 MET 126 5.556% * 4.6015% (0.64 0.02 0.02) = 4.602% kept HB3 CYS 121 - HB3 MET 126 5.556% * 4.4113% (0.62 0.02 0.02) = 4.411% kept HA THR 106 - HB3 MET 126 5.556% * 3.7842% (0.53 0.02 0.02) = 3.784% kept HA GLU- 64 - HB3 MET 126 5.556% * 3.7842% (0.53 0.02 0.02) = 3.784% kept HA GLU- 75 - HB3 MET 126 5.556% * 3.5638% (0.50 0.02 0.02) = 3.564% kept HA CYS 121 - HB3 MET 126 5.556% * 3.5638% (0.50 0.02 0.02) = 3.564% kept HA ASP- 36 - HB3 MET 126 5.556% * 2.2648% (0.32 0.02 0.02) = 2.265% kept HA GLU- 107 - HB3 MET 126 5.556% * 1.8792% (0.26 0.02 0.02) = 1.879% kept HA ASN 119 - HB3 MET 126 5.556% * 1.8792% (0.26 0.02 0.02) = 1.879% kept HA ASN 76 - HB3 MET 126 5.556% * 1.7003% (0.24 0.02 0.02) = 1.700% kept HA ALA 11 - HB3 MET 126 5.556% * 1.3737% (0.19 0.02 0.02) = 1.374% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 2290 (4.00, 4.00, 70.68 ppm): 1 diagonal assignment: * HB THR 95 - HB THR 95 (0.95) kept Peak 2295 (3.29, 3.28, 29.28 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2299 (3.13, 1.81, 29.24 ppm): 15 chemical-shift based assignments, quality = 0.846, support = 1.22, residual support = 17.6: * O T HE3 LYS+ 72 - HD3 LYS+ 72 6.667% * 44.9184% (0.96 10.0 10.00 1.53 25.75) = 44.918% kept O T HE3 LYS+ 108 - HG3 LYS+ 108 6.667% * 42.6637% (0.91 10.0 10.00 1.00 13.55) = 42.664% kept O T HE3 LYS+ 117 - HD3 LYS+ 117 6.667% * 10.3698% (0.22 10.0 10.00 1.00 2.12) = 10.370% kept T HE3 LYS+ 117 - HD3 LYS+ 72 6.667% * 0.4403% (0.94 1.0 10.00 0.02 0.02) = 0.440% T HE3 LYS+ 108 - HD3 LYS+ 72 6.667% * 0.4403% (0.94 1.0 10.00 0.02 0.02) = 0.440% T HE3 LYS+ 72 - HG3 LYS+ 108 6.667% * 0.4353% (0.93 1.0 10.00 0.02 0.02) = 0.435% T HE3 LYS+ 117 - HG3 LYS+ 108 6.667% * 0.4266% (0.91 1.0 10.00 0.02 0.02) = 0.427% T HE3 LYS+ 72 - HD3 LYS+ 117 6.667% * 0.1058% (0.23 1.0 10.00 0.02 0.02) = 0.106% T HE3 LYS+ 108 - HD3 LYS+ 117 6.667% * 0.1037% (0.22 1.0 10.00 0.02 0.02) = 0.104% HB3 ASP- 25 - HD3 LYS+ 72 6.667% * 0.0245% (0.53 1.0 1.00 0.02 0.02) = 0.024% HB3 ASP- 25 - HG3 LYS+ 108 6.667% * 0.0237% (0.51 1.0 1.00 0.02 0.02) = 0.024% HB3 HIS+ 98 - HD3 LYS+ 72 6.667% * 0.0191% (0.41 1.0 1.00 0.02 0.02) = 0.019% HB3 HIS+ 98 - HG3 LYS+ 108 6.667% * 0.0185% (0.40 1.0 1.00 0.02 0.02) = 0.019% HB3 ASP- 25 - HD3 LYS+ 117 6.667% * 0.0058% (0.12 1.0 1.00 0.02 0.02) = 0.006% HB3 HIS+ 98 - HD3 LYS+ 117 6.667% * 0.0045% (0.10 1.0 1.00 0.02 0.02) = 0.005% Peak 2300 (3.10, 3.28, 29.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2304 (2.97, 1.66, 29.27 ppm): 4 chemical-shift based assignments, quality = 0.489, support = 0.567, residual support = 1.03: T HE3 LYS+ 113 - HB3 MET 126 25.000% * 94.8851% (0.50 10.00 0.60 1.09) = 94.885% kept T HE2 LYS+ 117 - HB3 MET 126 25.000% * 2.9832% (0.46 10.00 0.02 0.02) = 2.983% kept T HE3 LYS+ 55 - HB3 MET 126 25.000% * 1.6777% (0.26 10.00 0.02 0.02) = 1.678% kept HB2 PHE 21 - HB3 MET 126 25.000% * 0.4540% (0.71 1.00 0.02 0.02) = 0.454% Peak 2306 (2.91, 2.91, 29.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2315 (2.44, 2.23, 29.30 ppm): 4 chemical-shift based assignments, quality = 0.452, support = 4.33, residual support = 69.5: * O HG3 GLU- 45 - HB3 GLU- 45 25.000% * 94.1647% (0.45 10.0 4.56 73.84) = 94.165% kept HG2 PRO 112 - HB3 GLU- 45 25.000% * 3.8986% (0.50 1.0 0.75 0.28) = 3.899% kept HG3 GLU- 45 - HB2 GLU- 50 25.000% * 1.8482% (0.38 1.0 0.46 0.02) = 1.848% kept HG2 PRO 112 - HB2 GLU- 50 25.000% * 0.0884% (0.42 1.0 0.02 0.02) = 0.088% Peak 2316 (2.45, 2.04, 29.30 ppm): 4 chemical-shift based assignments, quality = 0.472, support = 3.44, residual support = 55.7: * O HG3 GLU- 45 - HB2 GLU- 45 25.000% * 75.3199% (0.51 10.0 1.00 4.35 73.84) = 75.320% kept T HG2 PRO 112 - HB2 GLU- 45 25.000% * 20.5409% (0.41 1.0 10.00 0.67 0.28) = 20.541% kept T HG2 PRO 112 - HB3 GLU- 54 25.000% * 4.1231% (0.09 1.0 10.00 0.63 0.12) = 4.123% kept HG3 GLU- 45 - HB3 GLU- 54 25.000% * 0.0161% (0.11 1.0 1.00 0.02 0.02) = 0.016% Peak 2317 (2.38, 2.39, 29.25 ppm): 1 diagonal assignment: * HB3 GLU- 50 - HB3 GLU- 50 (0.59) kept Peak 2325 (2.05, 2.23, 29.30 ppm): 28 chemical-shift based assignments, quality = 0.903, support = 3.97, residual support = 69.0: * O HB2 GLU- 45 - HB3 GLU- 45 3.571% * 93.3965% (0.92 10.0 4.22 73.84) = 93.397% kept HG2 PRO 112 - HB3 GLU- 45 3.571% * 2.4303% (0.64 1.0 0.75 0.28) = 2.430% kept HB3 GLU- 75 - HB3 GLU- 45 3.571% * 2.0349% (0.65 1.0 0.61 0.11) = 2.035% kept HG3 PRO 86 - HB3 GLU- 45 3.571% * 1.2611% (0.94 1.0 0.26 0.02) = 1.261% kept HG3 PRO 86 - HB2 GLU- 50 3.571% * 0.0774% (0.76 1.0 0.02 0.02) = 0.077% HB3 LYS+ 110 - HB3 GLU- 45 3.571% * 0.0763% (0.75 1.0 0.02 0.11) = 0.076% HB2 GLU- 45 - HB2 GLU- 50 3.571% * 0.0759% (0.75 1.0 0.02 0.02) = 0.076% HB3 LYS+ 110 - HB2 GLU- 50 3.571% * 0.0620% (0.61 1.0 0.02 0.02) = 0.062% HB3 GLU- 75 - HB2 GLU- 50 3.571% * 0.0538% (0.53 1.0 0.02 0.72) = 0.054% HG2 PRO 112 - HB2 GLU- 50 3.571% * 0.0526% (0.52 1.0 0.02 0.02) = 0.053% HG3 GLU- 64 - HB3 GLU- 45 3.571% * 0.0464% (0.46 1.0 0.02 0.02) = 0.046% HB3 GLU- 54 - HB3 GLU- 45 3.571% * 0.0427% (0.42 1.0 0.02 0.02) = 0.043% HG3 GLU- 64 - HB2 GLU- 50 3.571% * 0.0377% (0.37 1.0 0.02 0.02) = 0.038% HB3 GLU- 54 - HB2 GLU- 50 3.571% * 0.0347% (0.34 1.0 0.02 0.02) = 0.035% HB3 GLU- 64 - HB3 GLU- 45 3.571% * 0.0325% (0.32 1.0 0.02 0.02) = 0.033% HB3 GLU- 10 - HB3 GLU- 45 3.571% * 0.0325% (0.32 1.0 0.02 0.85) = 0.033% HB VAL 62 - HB3 GLU- 45 3.571% * 0.0325% (0.32 1.0 0.02 0.50) = 0.033% HB3 PRO 31 - HB3 GLU- 45 3.571% * 0.0265% (0.26 1.0 0.02 0.02) = 0.026% HB3 GLU- 64 - HB2 GLU- 50 3.571% * 0.0264% (0.26 1.0 0.02 0.02) = 0.026% HB3 GLU- 10 - HB2 GLU- 50 3.571% * 0.0264% (0.26 1.0 0.02 0.02) = 0.026% HB VAL 62 - HB2 GLU- 50 3.571% * 0.0264% (0.26 1.0 0.02 0.02) = 0.026% HB ILE 101 - HB3 GLU- 45 3.571% * 0.0238% (0.23 1.0 0.02 0.02) = 0.024% HB3 PRO 31 - HB2 GLU- 50 3.571% * 0.0215% (0.21 1.0 0.02 0.02) = 0.022% HB ILE 101 - HB2 GLU- 50 3.571% * 0.0193% (0.19 1.0 0.02 0.02) = 0.019% HB3 GLU- 107 - HB3 GLU- 45 3.571% * 0.0147% (0.15 1.0 0.02 0.02) = 0.015% HG2 PRO 116 - HB3 GLU- 45 3.571% * 0.0129% (0.13 1.0 0.02 0.02) = 0.013% HB3 GLU- 107 - HB2 GLU- 50 3.571% * 0.0119% (0.12 1.0 0.02 0.02) = 0.012% HG2 PRO 116 - HB2 GLU- 50 3.571% * 0.0105% (0.10 1.0 0.02 0.02) = 0.010% Peak 2337 (1.82, 1.81, 29.24 ppm): 3 diagonal assignments: * HD3 LYS+ 72 - HD3 LYS+ 72 (0.97) kept HG3 LYS+ 108 - HG3 LYS+ 108 (0.88) kept HD3 LYS+ 117 - HD3 LYS+ 117 (0.21) kept Peak 2340 (1.75, 2.38, 29.24 ppm): 8 chemical-shift based assignments, quality = 0.829, support = 0.768, residual support = 0.638: HB2 LEU 17 - HB3 GLU- 50 12.500% * 33.6383% (0.85 1.14 0.44) = 33.638% kept HB ILE 48 - HB3 GLU- 50 12.500% * 21.1027% (0.81 0.75 0.85) = 21.103% kept HD3 PRO 59 - HB3 GLU- 50 12.500% * 15.6250% (0.75 0.60 0.81) = 15.625% kept HB2 LYS+ 117 - HB3 GLU- 50 12.500% * 14.6747% (0.89 0.47 0.13) = 14.675% kept HB3 LEU 23 - HB3 GLU- 50 12.500% * 13.5722% (0.88 0.44 1.20) = 13.572% kept HG2 ARG+ 84 - HB3 GLU- 50 12.500% * 1.1389% (0.18 0.18 0.02) = 1.139% kept HB3 GLU- 18 - HB3 GLU- 50 12.500% * 0.1389% (0.20 0.02 0.02) = 0.139% HB2 ARG+ 84 - HB3 GLU- 50 12.500% * 0.1093% (0.16 0.02 0.02) = 0.109% Peak 2356 (1.67, 1.67, 29.25 ppm): 1 diagonal assignment: * HB3 MET 126 - HB3 MET 126 (0.87) kept Peak 2387 (1.51, 1.81, 29.24 ppm): 15 chemical-shift based assignments, quality = 0.925, support = 1.79, residual support = 23.1: * O HG3 LYS+ 72 - HD3 LYS+ 72 6.667% * 51.2584% (0.98 10.0 2.47 25.75) = 51.258% kept O HB2 LYS+ 72 - HD3 LYS+ 72 6.667% * 27.4234% (0.92 10.0 1.14 25.75) = 27.423% kept O HD3 LYS+ 108 - HG3 LYS+ 108 6.667% * 21.1097% (0.81 10.0 1.00 13.55) = 21.110% kept HG3 LYS+ 72 - HG3 LYS+ 108 6.667% * 0.0495% (0.95 1.0 0.02 0.02) = 0.050% HB2 LYS+ 72 - HG3 LYS+ 108 6.667% * 0.0467% (0.89 1.0 0.02 0.02) = 0.047% HD3 LYS+ 108 - HD3 LYS+ 72 6.667% * 0.0437% (0.83 1.0 0.02 0.02) = 0.044% HG3 LYS+ 72 - HD3 LYS+ 117 6.667% * 0.0126% (0.24 1.0 0.02 0.02) = 0.013% HB2 LYS+ 72 - HD3 LYS+ 117 6.667% * 0.0118% (0.23 1.0 0.02 0.02) = 0.012% HD3 LYS+ 108 - HD3 LYS+ 117 6.667% * 0.0107% (0.20 1.0 0.02 0.02) = 0.011% QB ALA 70 - HD3 LYS+ 72 6.667% * 0.0081% (0.15 1.0 0.02 2.40) = 0.008% QB ALA 70 - HG3 LYS+ 108 6.667% * 0.0078% (0.15 1.0 0.02 0.02) = 0.008% HB3 LYS+ 44 - HD3 LYS+ 72 6.667% * 0.0071% (0.14 1.0 0.02 0.02) = 0.007% HB3 LYS+ 44 - HG3 LYS+ 108 6.667% * 0.0068% (0.13 1.0 0.02 0.02) = 0.007% QB ALA 70 - HD3 LYS+ 117 6.667% * 0.0020% (0.04 1.0 0.02 0.02) = 0.002% HB3 LYS+ 44 - HD3 LYS+ 117 6.667% * 0.0017% (0.03 1.0 0.02 0.02) = 0.002% Peak 2391 (1.46, 1.67, 29.25 ppm): 13 chemical-shift based assignments, quality = 0.634, support = 0.447, residual support = 0.367: T HG3 PRO 52 - HB3 MET 126 7.692% * 42.7276% (0.75 10.00 0.39 0.02) = 42.728% kept T HG3 LYS+ 113 - HB3 MET 126 7.692% * 28.7230% (0.29 10.00 0.68 1.09) = 28.723% kept T HG2 PRO 59 - HB3 MET 126 7.692% * 21.0576% (0.93 10.00 0.16 0.02) = 21.058% kept HD3 LYS+ 113 - HB3 MET 126 7.692% * 3.8794% (0.21 1.00 1.28 1.09) = 3.879% kept T HG3 LYS+ 60 - HB3 MET 126 7.692% * 2.7165% (0.93 10.00 0.02 0.02) = 2.716% kept HG13 ILE 48 - HB3 MET 126 7.692% * 0.2627% (0.90 1.00 0.02 0.02) = 0.263% HB3 LEU 67 - HB3 MET 126 7.692% * 0.1977% (0.68 1.00 0.02 0.02) = 0.198% HG LEU 90 - HB3 MET 126 7.692% * 0.1432% (0.49 1.00 0.02 0.02) = 0.143% HG3 ARG+ 22 - HB3 MET 126 7.692% * 0.0679% (0.23 1.00 0.02 0.02) = 0.068% HG3 LYS+ 55 - HB3 MET 126 7.692% * 0.0679% (0.23 1.00 0.02 0.02) = 0.068% HB3 LYS+ 44 - HB3 MET 126 7.692% * 0.0606% (0.21 1.00 0.02 0.02) = 0.061% QB ALA 70 - HB3 MET 126 7.692% * 0.0539% (0.19 1.00 0.02 0.02) = 0.054% QG2 THR 38 - HB3 MET 126 7.692% * 0.0420% (0.14 1.00 0.02 0.02) = 0.042% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 2403 (1.09, 4.00, 70.67 ppm): 3 chemical-shift based assignments, quality = 0.763, support = 2.91, residual support = 29.9: * O T QG2 THR 95 - HB THR 95 33.333% * 99.6868% (0.77 10.0 10.00 2.92 30.02) = 99.687% kept T QG2 THR 61 - HB THR 95 33.333% * 0.2180% (0.17 1.0 10.00 0.02 0.02) = 0.218% QG2 THR 79 - HB THR 95 33.333% * 0.0951% (0.73 1.0 1.00 0.02 0.02) = 0.095% Peak 2407 (0.95, 2.39, 29.27 ppm): 9 chemical-shift based assignments, quality = 0.544, support = 0.17, residual support = 0.167: QG2 VAL 73 - HB3 GLU- 50 11.111% * 33.7756% (0.70 0.16 0.02) = 33.776% kept QD1 LEU 17 - HB3 GLU- 50 11.111% * 29.7946% (0.32 0.31 0.44) = 29.795% kept QG2 ILE 29 - HB3 GLU- 50 11.111% * 18.5787% (0.72 0.09 0.13) = 18.579% kept HG12 ILE 68 - HB3 GLU- 50 11.111% * 5.0192% (0.14 0.12 0.02) = 5.019% kept QG2 VAL 99 - HB3 GLU- 50 11.111% * 4.5448% (0.75 0.02 0.02) = 4.545% kept QG2 VAL 62 - HB3 GLU- 50 11.111% * 3.7709% (0.63 0.02 0.02) = 3.771% kept QG1 VAL 105 - HB3 GLU- 50 11.111% * 2.1113% (0.35 0.02 0.02) = 2.111% kept QG2 VAL 105 - HB3 GLU- 50 11.111% * 1.7675% (0.29 0.02 0.02) = 1.767% kept HG3 LYS+ 110 - HB3 GLU- 50 11.111% * 0.6373% (0.11 0.02 0.02) = 0.637% Not enough support, support cutoff is 0.27 Peak unassigned. Peak 2410 (0.91, 4.00, 70.60 ppm): 13 chemical-shift based assignments, quality = 0.617, support = 0.206, residual support = 0.375: QD1 LEU 17 - HB THR 95 7.692% * 22.9566% (0.17 0.61 1.09) = 22.957% kept QG2 VAL 40 - HB THR 95 7.692% * 21.9710% (0.86 0.11 0.02) = 21.971% kept QD1 LEU 67 - HB THR 95 7.692% * 17.8745% (0.94 0.08 0.28) = 17.875% kept HG3 LYS+ 110 - HB THR 95 7.692% * 15.4562% (0.47 0.15 0.19) = 15.456% kept HG3 LYS+ 117 - HB THR 95 7.692% * 4.3163% (0.96 0.02 0.02) = 4.316% kept QG1 VAL 47 - HB THR 95 7.692% * 4.0921% (0.91 0.02 0.02) = 4.092% kept QG2 VAL 87 - HB THR 95 7.692% * 3.8796% (0.86 0.02 0.02) = 3.880% kept QG2 VAL 80 - HB THR 95 7.692% * 2.6238% (0.58 0.02 0.70) = 2.624% kept QG1 VAL 80 - HB THR 95 7.692% * 2.4491% (0.54 0.02 0.70) = 2.449% kept HG12 ILE 68 - HB THR 95 7.692% * 1.7784% (0.39 0.02 0.02) = 1.778% kept QG2 VAL 125 - HB THR 95 7.692% * 1.0787% (0.24 0.02 0.02) = 1.079% kept QG2 VAL 105 - HB THR 95 7.692% * 0.8561% (0.19 0.02 0.02) = 0.856% QG1 VAL 105 - HB THR 95 7.692% * 0.6675% (0.15 0.02 0.02) = 0.667% Not enough support, support cutoff is 0.27 Peak unassigned. Peak 2414 (0.68, 4.00, 70.69 ppm): 9 chemical-shift based assignments, quality = 0.913, support = 2.93, residual support = 32.3: * T HG12 ILE 19 - HB THR 95 11.111% * 45.4586% (0.95 10.00 2.63 34.03) = 45.459% kept T QD1 ILE 19 - HB THR 95 11.111% * 42.8113% (0.90 10.00 3.14 34.03) = 42.811% kept QG2 VAL 94 - HB THR 95 11.111% * 8.8373% (0.94 1.00 3.95 22.36) = 8.837% kept QG2 THR 96 - HB THR 95 11.111% * 1.6157% (0.30 1.00 2.26 17.55) = 1.616% kept QG2 ILE 48 - HB THR 95 11.111% * 1.0266% (0.97 1.00 0.44 0.02) = 1.027% kept QG1 VAL 62 - HB THR 95 11.111% * 0.1479% (0.78 1.00 0.08 0.02) = 0.148% QG2 ILE 68 - HB THR 95 11.111% * 0.0448% (0.94 1.00 0.02 0.02) = 0.045% QG2 ILE 101 - HB THR 95 11.111% * 0.0351% (0.73 1.00 0.02 0.02) = 0.035% QG1 VAL 65 - HB THR 95 11.111% * 0.0226% (0.47 1.00 0.02 0.02) = 0.023% Peak 2416 (0.70, 0.39, 29.23 ppm): 12 chemical-shift based assignments, quality = 0.825, support = 5.18, residual support = 135.0: * O T QG2 ILE 48 - HG12 ILE 48 8.333% * 90.0319% (0.83 10.0 10.00 5.66 149.82) = 90.032% kept QG1 VAL 65 - HG12 ILE 48 8.333% * 5.6605% (0.87 1.0 1.00 1.20 1.26) = 5.660% kept QG2 THR 96 - HG12 ILE 48 8.333% * 3.2682% (0.90 1.0 1.00 0.67 0.02) = 3.268% kept QG2 ILE 101 - HG12 ILE 48 8.333% * 0.5084% (0.89 1.0 1.00 0.10 0.14) = 0.508% HG LEU 74 - HG12 ILE 48 8.333% * 0.2737% (0.58 1.0 1.00 0.09 0.02) = 0.274% QD1 ILE 19 - HG12 ILE 48 8.333% * 0.0553% (0.51 1.0 1.00 0.02 0.02) = 0.055% QG2 VAL 94 - HG12 ILE 48 8.333% * 0.0475% (0.44 1.0 1.00 0.02 0.02) = 0.048% QG2 ILE 68 - HG12 ILE 48 8.333% * 0.0475% (0.44 1.0 1.00 0.02 0.02) = 0.048% HG12 ILE 19 - HG12 ILE 48 8.333% * 0.0438% (0.40 1.0 1.00 0.02 0.02) = 0.044% QG1 VAL 40 - HG12 ILE 48 8.333% * 0.0244% (0.22 1.0 1.00 0.02 0.02) = 0.024% QD1 ILE 68 - HG12 ILE 48 8.333% * 0.0217% (0.20 1.0 1.00 0.02 0.02) = 0.022% QG2 VAL 65 - HG12 ILE 48 8.333% * 0.0171% (0.16 1.0 1.00 0.02 1.26) = 0.017% Peak 2419 (0.39, 1.46, 29.22 ppm): 2 chemical-shift based assignments, quality = 0.905, support = 5.16, residual support = 149.8: O T QD1 ILE 48 - HG13 ILE 48 50.000% * 50.0000% (0.90 10.0 10.00 5.20 149.82) = 50.000% kept * O T HG12 ILE 48 - HG13 ILE 48 50.000% * 50.0000% (0.90 10.0 10.00 5.12 149.82) = 50.000% kept Peak 2421 (0.39, 0.39, 29.23 ppm): 1 diagonal assignment: * HG12 ILE 48 - HG12 ILE 48 (0.85) kept Peak 2428 (-0.28, 4.29, 70.66 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2432 (7.35, 1.59, 29.06 ppm): 10 chemical-shift based assignments, quality = 0.51, support = 2.08, residual support = 6.51: * HZ PHE 34 - HD3 LYS+ 32 10.000% * 33.6220% (0.54 2.80 9.22) = 33.622% kept QE PHE 34 - HD3 LYS+ 32 10.000% * 24.9253% (0.54 2.08 9.22) = 24.925% kept HE22 GLN 102 - HD3 LYS+ 32 10.000% * 17.8674% (0.54 1.49 1.39) = 17.867% kept HZ2 TRP 51 - HD3 LYS+ 32 10.000% * 16.7187% (0.54 1.39 1.46) = 16.719% kept QD PHE 34 - HD3 LYS+ 32 10.000% * 6.7478% (0.17 1.82 9.22) = 6.748% kept HE22 GLN 102 - HD3 LYS+ 60 10.000% * 0.0276% (0.06 0.02 0.02) = 0.028% HZ2 TRP 51 - HD3 LYS+ 60 10.000% * 0.0276% (0.06 0.02 0.02) = 0.028% QE PHE 34 - HD3 LYS+ 60 10.000% * 0.0276% (0.06 0.02 0.02) = 0.028% HZ PHE 34 - HD3 LYS+ 60 10.000% * 0.0276% (0.06 0.02 0.02) = 0.028% QD PHE 34 - HD3 LYS+ 60 10.000% * 0.0085% (0.02 0.02 0.02) = 0.009% Peak 2434 (4.52, 1.58, 28.84 ppm): 14 chemical-shift based assignments, quality = 0.393, support = 0.337, residual support = 0.439: HA LYS+ 55 - HD3 LYS+ 60 7.143% * 44.8772% (0.50 0.37 0.02) = 44.877% kept HA LYS+ 55 - HD3 LYS+ 32 7.143% * 35.0027% (0.31 0.46 1.22) = 35.003% kept HA ALA 103 - HD3 LYS+ 32 7.143% * 6.4238% (0.25 0.11 0.02) = 6.424% kept HB THR 46 - HD3 LYS+ 60 7.143% * 3.1168% (0.64 0.02 0.02) = 3.117% kept HB THR 46 - HD3 LYS+ 32 7.143% * 1.9502% (0.40 0.02 0.02) = 1.950% kept HA ALA 103 - HD3 LYS+ 60 7.143% * 1.9286% (0.40 0.02 0.02) = 1.929% kept HB THR 79 - HD3 LYS+ 60 7.143% * 1.5477% (0.32 0.02 0.02) = 1.548% kept HA CYS 123 - HD3 LYS+ 32 7.143% * 1.5093% (0.08 0.08 0.02) = 1.509% kept HB THR 79 - HD3 LYS+ 32 7.143% * 0.9684% (0.20 0.02 0.02) = 0.968% HA CYS 123 - HD3 LYS+ 60 7.143% * 0.6293% (0.13 0.02 0.02) = 0.629% HA SER 77 - HD3 LYS+ 60 7.143% * 0.6293% (0.13 0.02 0.02) = 0.629% HA LEU 17 - HD3 LYS+ 60 7.143% * 0.6293% (0.13 0.02 0.02) = 0.629% HA SER 77 - HD3 LYS+ 32 7.143% * 0.3937% (0.08 0.02 0.02) = 0.394% HA LEU 17 - HD3 LYS+ 32 7.143% * 0.3937% (0.08 0.02 0.59) = 0.394% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 2435 (3.10, 3.08, 28.99 ppm): 2 chemical-shift based assignments, quality = 0.126, support = 0.236, residual support = 3.42: * HA VAL 47 - HB3 TRP 51 50.000% * 94.2928% (0.13 0.25 3.62) = 94.293% kept HB3 ASP- 25 - HB3 TRP 51 50.000% * 5.7072% (0.10 0.02 0.02) = 5.707% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 2436 (2.06, 2.10, 28.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2437 (2.05, 2.02, 29.04 ppm): 2 diagonal assignments: * HB3 GLU- 54 - HB3 GLU- 54 (0.22) kept HB2 GLU- 45 - HB2 GLU- 45 (0.20) kept Peak 2440 (1.56, 1.57, 28.87 ppm): 1 diagonal assignment: * HD3 LYS+ 60 - HD3 LYS+ 60 (0.82) kept Peak 2441 (8.27, 4.15, 70.06 ppm): 6 chemical-shift based assignments, quality = 0.371, support = 2.68, residual support = 18.4: * O HN THR 106 - HB THR 106 16.667% * 99.5412% (0.37 10.0 2.70 18.53) = 99.541% kept HN ASN 89 - HB THR 106 16.667% * 0.1747% (0.65 1.0 0.02 0.02) = 0.175% HN ASP- 115 - HB THR 106 16.667% * 0.1148% (0.43 1.0 0.02 0.02) = 0.115% HN ASP- 28 - HB THR 106 16.667% * 0.1071% (0.40 1.0 0.02 0.02) = 0.107% HN ALA 91 - HB THR 106 16.667% * 0.0331% (0.12 1.0 0.02 0.02) = 0.033% HN GLU- 12 - HB THR 106 16.667% * 0.0292% (0.11 1.0 0.02 0.02) = 0.029% Peak 2442 (7.87, 4.04, 70.02 ppm): 4 chemical-shift based assignments, quality = 0.653, support = 3.17, residual support = 20.0: * O HN THR 38 - HB THR 38 25.000% * 98.4379% (0.65 10.0 3.22 20.35) = 98.438% kept HN LEU 90 - HB THR 38 25.000% * 1.3768% (0.65 1.0 0.28 0.02) = 1.377% kept HD22 ASN 89 - HB THR 38 25.000% * 0.1073% (0.71 1.0 0.02 0.02) = 0.107% HN LYS+ 44 - HB THR 38 25.000% * 0.0780% (0.52 1.0 0.02 0.02) = 0.078% Peak 2445 (4.36, 1.56, 28.63 ppm): 8 chemical-shift based assignments, quality = 0.599, support = 3.29, residual support = 39.2: * T HA LYS+ 60 - HD3 LYS+ 60 12.500% * 82.0454% (0.58 10.00 3.59 45.24) = 82.045% kept HB THR 61 - HD3 LYS+ 60 12.500% * 13.6634% (0.77 1.00 2.48 15.13) = 13.663% kept HA2 GLY 26 - HD3 LYS+ 60 12.500% * 1.6396% (0.82 1.00 0.28 0.02) = 1.640% kept HA ALA 37 - HD3 LYS+ 60 12.500% * 1.4425% (0.47 1.00 0.43 0.02) = 1.443% kept T HA TRP 51 - HD3 LYS+ 60 12.500% * 0.8673% (0.61 10.00 0.02 0.02) = 0.867% HA SER 27 - HD3 LYS+ 60 12.500% * 0.2783% (0.44 1.00 0.09 0.02) = 0.278% HA ALA 91 - HD3 LYS+ 60 12.500% * 0.0369% (0.26 1.00 0.02 0.02) = 0.037% HA SER 88 - HD3 LYS+ 60 12.500% * 0.0266% (0.19 1.00 0.02 0.02) = 0.027% Peak 2450 (4.17, 4.16, 70.07 ppm): 1 diagonal assignment: * HB THR 106 - HB THR 106 (0.91) kept Peak 2454 (4.03, 4.03, 70.09 ppm): 1 diagonal assignment: * HB THR 38 - HB THR 38 (0.09) kept Peak 2460 (2.91, 1.56, 28.65 ppm): 10 chemical-shift based assignments, quality = 0.661, support = 1.04, residual support = 44.8: * O T HE3 LYS+ 60 - HD3 LYS+ 60 10.000% * 99.0560% (0.67 10.0 10.00 1.05 45.24) = 99.056% kept HB2 HIS+ 98 - HD3 LYS+ 60 10.000% * 0.5877% (0.87 1.0 1.00 0.09 0.02) = 0.588% HE3 LYS+ 81 - HD3 LYS+ 60 10.000% * 0.1162% (0.78 1.0 1.00 0.02 0.13) = 0.116% HB2 CYS 121 - HD3 LYS+ 60 10.000% * 0.1124% (0.76 1.0 1.00 0.02 0.02) = 0.112% HB3 ASN 57 - HD3 LYS+ 60 10.000% * 0.1083% (0.73 1.0 1.00 0.02 0.02) = 0.108% HB2 HIS+ 98 - HD3 LYS+ 32 10.000% * 0.0044% (0.03 1.0 1.00 0.02 0.02) = 0.004% HE3 LYS+ 81 - HD3 LYS+ 32 10.000% * 0.0040% (0.03 1.0 1.00 0.02 0.02) = 0.004% HB2 CYS 121 - HD3 LYS+ 32 10.000% * 0.0038% (0.03 1.0 1.00 0.02 0.02) = 0.004% HB3 ASN 57 - HD3 LYS+ 32 10.000% * 0.0037% (0.02 1.0 1.00 0.02 0.02) = 0.004% HE3 LYS+ 60 - HD3 LYS+ 32 10.000% * 0.0034% (0.02 1.0 1.00 0.02 0.16) = 0.003% Peak 2461 (2.91, 1.50, 28.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2462 (2.91, 1.17, 28.69 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2463 (2.76, 1.17, 28.64 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2465 (1.86, 1.56, 28.50 ppm): 11 chemical-shift based assignments, quality = 0.363, support = 2.92, residual support = 40.4: * O HB3 LYS+ 60 - HD3 LYS+ 60 9.091% * 85.7694% (0.36 10.0 3.10 45.24) = 85.769% kept HD2 PRO 59 - HD3 LYS+ 60 9.091% * 10.2178% (0.45 1.0 1.91 12.86) = 10.218% kept HB2 PRO 59 - HD3 LYS+ 60 9.091% * 2.4954% (0.08 1.0 2.66 12.86) = 2.495% kept HB2 PRO 104 - HD3 LYS+ 60 9.091% * 1.0538% (0.39 1.0 0.23 0.02) = 1.054% kept HB VAL 94 - HD3 LYS+ 60 9.091% * 0.1062% (0.45 1.0 0.02 0.02) = 0.106% HB3 LYS+ 72 - HD3 LYS+ 60 9.091% * 0.0895% (0.38 1.0 0.02 0.02) = 0.089% HB3 ARG+ 84 - HD3 LYS+ 60 9.091% * 0.0778% (0.33 1.0 0.02 0.02) = 0.078% HD3 PRO 52 - HD3 LYS+ 60 9.091% * 0.0736% (0.31 1.0 0.02 0.02) = 0.074% HG3 LYS+ 120 - HD3 LYS+ 60 9.091% * 0.0480% (0.20 1.0 0.02 0.02) = 0.048% HB2 LYS+ 66 - HD3 LYS+ 60 9.091% * 0.0480% (0.20 1.0 0.02 0.02) = 0.048% HG2 PRO 112 - HD3 LYS+ 60 9.091% * 0.0207% (0.09 1.0 0.02 0.02) = 0.021% Peak 2466 (1.63, 0.92, 28.65 ppm): 10 chemical-shift based assignments, quality = 0.208, support = 5.17, residual support = 83.6: * O T HB ILE 68 - HG12 ILE 68 10.000% * 90.1305% (0.21 10.0 10.00 5.71 92.71) = 90.130% kept T HG LEU 43 - HG12 ILE 68 10.000% * 7.8878% (0.21 1.0 10.00 0.18 0.61) = 7.888% kept HG2 ARG+ 22 - HG12 ILE 68 10.000% * 1.5470% (0.12 1.0 1.00 0.59 0.02) = 1.547% kept HG LEU 23 - HG12 ILE 68 10.000% * 0.0920% (0.21 1.0 1.00 0.02 0.02) = 0.092% HG12 ILE 101 - HG12 ILE 68 10.000% * 0.0911% (0.21 1.0 1.00 0.02 0.10) = 0.091% HB VAL 122 - HG12 ILE 68 10.000% * 0.0901% (0.21 1.0 1.00 0.02 0.02) = 0.090% HG3 LYS+ 78 - HG12 ILE 68 10.000% * 0.0736% (0.17 1.0 1.00 0.02 0.02) = 0.074% HG2 LYS+ 110 - HG12 ILE 68 10.000% * 0.0412% (0.10 1.0 1.00 0.02 0.02) = 0.041% HB3 PRO 52 - HG12 ILE 68 10.000% * 0.0284% (0.07 1.0 1.00 0.02 0.02) = 0.028% HD3 LYS+ 32 - HG12 ILE 68 10.000% * 0.0182% (0.04 1.0 1.00 0.02 0.02) = 0.018% Peak 2469 (1.57, 1.34, 28.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2470 (1.50, 1.49, 28.64 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2471 (1.46, 1.17, 28.64 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2472 (1.42, 4.04, 70.00 ppm): 13 chemical-shift based assignments, quality = 0.67, support = 2.28, residual support = 18.2: * O QG2 THR 38 - HB THR 38 7.692% * 87.5193% (0.68 10.0 2.45 20.35) = 87.519% kept QB ALA 37 - HB THR 38 7.692% * 5.5223% (0.68 1.0 1.26 5.32) = 5.522% kept QB ALA 91 - HB THR 38 7.692% * 5.3710% (0.72 1.0 1.15 0.90) = 5.371% kept HG LEU 67 - HB THR 38 7.692% * 0.9964% (0.54 1.0 0.29 0.10) = 0.996% HD3 LYS+ 44 - HB THR 38 7.692% * 0.0989% (0.77 1.0 0.02 0.02) = 0.099% HD3 LYS+ 113 - HB THR 38 7.692% * 0.0771% (0.60 1.0 0.02 0.02) = 0.077% HG3 ARG+ 22 - HB THR 38 7.692% * 0.0733% (0.57 1.0 0.02 0.02) = 0.073% HG3 LYS+ 55 - HB THR 38 7.692% * 0.0733% (0.57 1.0 0.02 0.02) = 0.073% HG13 ILE 100 - HB THR 38 7.692% * 0.0653% (0.51 1.0 0.02 0.02) = 0.065% QB ALA 93 - HB THR 38 7.692% * 0.0653% (0.51 1.0 0.02 0.02) = 0.065% HG3 LYS+ 113 - HB THR 38 7.692% * 0.0653% (0.51 1.0 0.02 0.02) = 0.065% HG LEU 90 - HB THR 38 7.692% * 0.0415% (0.32 1.0 0.02 0.02) = 0.041% HD3 LYS+ 20 - HB THR 38 7.692% * 0.0311% (0.24 1.0 0.02 0.11) = 0.031% Peak 2473 (1.42, 1.57, 28.60 ppm): 13 chemical-shift based assignments, quality = 0.58, support = 0.104, residual support = 0.022: HG13 ILE 100 - HD3 LYS+ 60 7.692% * 26.4831% (0.55 0.18 0.02) = 26.483% kept QG2 THR 38 - HD3 LYS+ 60 7.692% * 17.8267% (0.60 0.11 0.02) = 17.827% kept HG LEU 67 - HD3 LYS+ 60 7.692% * 17.6502% (0.58 0.11 0.02) = 17.650% kept QB ALA 37 - HD3 LYS+ 60 7.692% * 14.5901% (0.70 0.08 0.02) = 14.590% kept HD3 LYS+ 44 - HD3 LYS+ 60 7.692% * 3.8227% (0.71 0.02 0.02) = 3.823% kept QB ALA 91 - HD3 LYS+ 60 7.692% * 3.5054% (0.65 0.02 0.02) = 3.505% kept QB ALA 93 - HD3 LYS+ 60 7.692% * 2.9345% (0.55 0.02 0.02) = 2.934% kept HD3 LYS+ 113 - HD3 LYS+ 60 7.692% * 2.7759% (0.52 0.02 0.02) = 2.776% kept HG3 LYS+ 55 - HD3 LYS+ 60 7.692% * 2.6142% (0.49 0.02 0.02) = 2.614% kept HG3 ARG+ 22 - HD3 LYS+ 60 7.692% * 2.6142% (0.49 0.02 0.02) = 2.614% kept HG3 LYS+ 113 - HD3 LYS+ 60 7.692% * 2.2879% (0.43 0.02 0.02) = 2.288% kept HD3 LYS+ 20 - HD3 LYS+ 60 7.692% * 1.5167% (0.28 0.02 0.15) = 1.517% kept HG LEU 90 - HD3 LYS+ 60 7.692% * 1.3785% (0.26 0.02 0.02) = 1.378% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 2474 (1.17, 4.16, 70.07 ppm): 5 chemical-shift based assignments, quality = 0.936, support = 2.19, residual support = 18.5: * O T QG2 THR 106 - HB THR 106 20.000% * 99.7048% (0.94 10.0 10.00 2.19 18.53) = 99.705% kept HB2 LEU 43 - HB THR 106 20.000% * 0.0977% (0.92 1.0 1.00 0.02 0.02) = 0.098% HB2 LEU 74 - HB THR 106 20.000% * 0.0865% (0.81 1.0 1.00 0.02 0.02) = 0.086% HG3 PRO 59 - HB THR 106 20.000% * 0.0833% (0.78 1.0 1.00 0.02 0.02) = 0.083% QB ALA 33 - HB THR 106 20.000% * 0.0277% (0.26 1.0 1.00 0.02 0.02) = 0.028% Peak 2475 (1.18, 1.49, 28.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2476 (1.18, 1.17, 28.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2478 (0.93, 1.58, 28.57 ppm): 11 chemical-shift based assignments, quality = 0.364, support = 0.352, residual support = 0.131: QG2 VAL 62 - HD3 LYS+ 60 9.091% * 25.9205% (0.36 0.45 0.45) = 25.920% kept QG2 VAL 105 - HD3 LYS+ 60 9.091% * 25.7142% (0.45 0.36 0.02) = 25.714% kept HG12 ILE 68 - HD3 LYS+ 60 9.091% * 22.5300% (0.39 0.36 0.02) = 22.530% kept QG2 ILE 29 - HD3 LYS+ 60 9.091% * 15.7790% (0.29 0.34 0.02) = 15.779% kept QG2 VAL 99 - HD3 LYS+ 60 9.091% * 3.8383% (0.12 0.19 0.02) = 3.838% kept QD1 LEU 17 - HD3 LYS+ 60 9.091% * 1.4371% (0.45 0.02 0.02) = 1.437% kept QG1 VAL 105 - HD3 LYS+ 60 9.091% * 1.4340% (0.45 0.02 0.02) = 1.434% kept HG3 LYS+ 110 - HD3 LYS+ 60 9.091% * 1.1508% (0.36 0.02 0.02) = 1.151% kept QG2 VAL 73 - HD3 LYS+ 60 9.091% * 0.9872% (0.31 0.02 0.02) = 0.987% QG2 VAL 80 - HD3 LYS+ 60 9.091% * 0.9872% (0.31 0.02 0.02) = 0.987% HG3 LYS+ 117 - HD3 LYS+ 60 9.091% * 0.2217% (0.07 0.02 0.02) = 0.222% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 2479 (0.91, 4.04, 70.01 ppm): 12 chemical-shift based assignments, quality = 0.534, support = 0.532, residual support = 0.544: QG2 VAL 40 - HB THR 38 8.333% * 28.5029% (0.56 0.70 0.90) = 28.503% kept HG3 LYS+ 117 - HB THR 38 8.333% * 27.7735% (0.61 0.63 0.40) = 27.774% kept QD1 LEU 67 - HB THR 38 8.333% * 20.9122% (0.60 0.48 0.10) = 20.912% kept QG2 VAL 80 - HB THR 38 8.333% * 9.1837% (0.34 0.37 0.97) = 9.184% kept * QG1 VAL 80 - HB THR 38 8.333% * 6.6146% (0.37 0.25 0.97) = 6.615% kept QG2 VAL 87 - HB THR 38 8.333% * 3.7416% (0.56 0.09 0.02) = 3.742% kept HG12 ILE 68 - HB THR 38 8.333% * 1.4977% (0.23 0.09 0.02) = 1.498% kept QG1 VAL 47 - HB THR 38 8.333% * 0.8471% (0.59 0.02 0.02) = 0.847% HG3 LYS+ 110 - HB THR 38 8.333% * 0.3935% (0.27 0.02 0.02) = 0.394% QG2 VAL 125 - HB THR 38 8.333% * 0.2440% (0.17 0.02 0.02) = 0.244% QG2 VAL 105 - HB THR 38 8.333% * 0.1537% (0.11 0.02 0.02) = 0.154% QD1 LEU 17 - HB THR 38 8.333% * 0.1354% (0.09 0.02 0.02) = 0.135% Peak 2480 (0.77, 1.78, 28.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2481 (0.70, 1.58, 28.48 ppm): 11 chemical-shift based assignments, quality = 0.291, support = 0.807, residual support = 0.863: QG2 ILE 48 - HD3 LYS+ 60 9.091% * 35.6516% (0.32 1.32 1.89) = 35.652% kept QG2 THR 96 - HD3 LYS+ 60 9.091% * 15.8202% (0.32 0.59 0.02) = 15.820% kept QG2 ILE 101 - HD3 LYS+ 60 9.091% * 14.4453% (0.34 0.51 0.02) = 14.445% kept QG1 VAL 65 - HD3 LYS+ 60 9.091% * 11.5639% (0.34 0.40 0.02) = 11.564% kept HG LEU 74 - HD3 LYS+ 60 9.091% * 11.0706% (0.17 0.80 1.30) = 11.071% kept QD1 ILE 19 - HD3 LYS+ 60 9.091% * 6.3316% (0.25 0.31 0.42) = 6.332% kept QG1 VAL 62 - HD3 LYS+ 60 9.091% * 2.1081% (0.06 0.42 0.45) = 2.108% kept QG1 VAL 40 - HD3 LYS+ 60 9.091% * 1.9228% (0.05 0.44 0.02) = 1.923% kept QG2 VAL 94 - HD3 LYS+ 60 9.091% * 0.3696% (0.22 0.02 0.02) = 0.370% QG2 ILE 68 - HD3 LYS+ 60 9.091% * 0.3696% (0.22 0.02 0.02) = 0.370% HG12 ILE 19 - HD3 LYS+ 60 9.091% * 0.3465% (0.21 0.02 0.42) = 0.347% Peak 2482 (0.62, 1.58, 28.44 ppm): 2 chemical-shift based assignments, quality = 0.0887, support = 1.31, residual support = 1.88: QG2 ILE 48 - HD3 LYS+ 60 50.000% * 99.4518% (0.09 1.32 1.89) = 99.452% kept QD1 LEU 23 - HD3 LYS+ 60 50.000% * 0.5482% (0.03 0.02 0.02) = 0.548% Not enough quality. Peak unassigned. Peak 2483 (9.31, 1.62, 28.17 ppm): 4 chemical-shift based assignments, quality = 0.618, support = 4.23, residual support = 70.3: * HN LEU 23 - HG LEU 23 25.000% * 53.7815% (0.44 6.18 120.22) = 53.782% kept HN ILE 29 - HG LEU 23 25.000% * 38.4480% (0.86 2.28 14.54) = 38.448% kept HN ILE 29 - HB VAL 122 25.000% * 5.5631% (0.75 0.38 0.45) = 5.563% kept HN LEU 23 - HB VAL 122 25.000% * 2.2073% (0.39 0.29 0.02) = 2.207% kept Peak 2485 (4.99, 1.38, 28.44 ppm): 4 chemical-shift based assignments, quality = 0.721, support = 4.8, residual support = 84.2: * O HA ILE 68 - HG13 ILE 68 25.000% * 89.6173% (0.74 10.0 5.04 92.71) = 89.617% kept HA SER 69 - HG13 ILE 68 25.000% * 10.2661% (0.60 1.0 2.80 10.87) = 10.266% kept HA PRO 31 - HG13 ILE 68 25.000% * 0.0912% (0.75 1.0 0.02 0.02) = 0.091% HA MET 97 - HG13 ILE 68 25.000% * 0.0254% (0.21 1.0 0.02 0.46) = 0.025% Peak 2486 (4.99, 0.93, 28.37 ppm): 4 chemical-shift based assignments, quality = 0.82, support = 5.51, residual support = 78.1: * O HA ILE 68 - HG12 ILE 68 25.000% * 82.3025% (0.82 10.0 5.95 92.71) = 82.302% kept HA SER 69 - HG12 ILE 68 25.000% * 16.6505% (0.89 1.0 3.71 10.87) = 16.651% kept HA MET 97 - HG12 ILE 68 25.000% * 0.9594% (0.42 1.0 0.45 0.46) = 0.959% HA PRO 31 - HG12 ILE 68 25.000% * 0.0876% (0.87 1.0 0.02 0.02) = 0.088% Peak 2487 (4.51, 2.91, 28.20 ppm): 6 chemical-shift based assignments, quality = 0.665, support = 0.0556, residual support = 0.02: HA CYS 123 - HB2 CYS 121 16.667% * 48.2587% (0.62 0.09 0.02) = 48.259% kept HB THR 79 - HB2 CYS 121 16.667% * 13.9067% (0.84 0.02 0.02) = 13.907% kept HA LYS+ 55 - HB2 CYS 121 16.667% * 13.6921% (0.83 0.02 0.02) = 13.692% kept HA SER 77 - HB2 CYS 121 16.667% * 10.3024% (0.62 0.02 0.02) = 10.302% kept HB THR 46 - HB2 CYS 121 16.667% * 10.3024% (0.62 0.02 0.02) = 10.302% kept HA LYS+ 32 - HB2 CYS 121 16.667% * 3.5377% (0.21 0.02 0.02) = 3.538% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 2491 (2.92, 2.91, 28.25 ppm): 1 diagonal assignment: * HB2 CYS 121 - HB2 CYS 121 (0.95) kept Peak 2495 (1.67, 0.68, 28.31 ppm): 9 chemical-shift based assignments, quality = 0.731, support = 4.62, residual support = 85.6: * O T HG13 ILE 19 - HG12 ILE 19 11.111% * 87.6375% (0.73 10.0 10.00 5.01 96.68) = 87.638% kept HB3 MET 97 - HG12 ILE 19 11.111% * 10.8474% (0.83 1.0 1.00 2.18 8.12) = 10.847% kept T HD3 LYS+ 55 - HG12 ILE 19 11.111% * 0.9947% (0.83 1.0 10.00 0.02 0.02) = 0.995% HB3 LYS+ 81 - HG12 ILE 19 11.111% * 0.1137% (0.95 1.0 1.00 0.02 0.02) = 0.114% HB3 MET 126 - HG12 ILE 19 11.111% * 0.1059% (0.88 1.0 1.00 0.02 0.02) = 0.106% HB ILE 100 - HG12 ILE 19 11.111% * 0.0876% (0.73 1.0 1.00 0.02 0.02) = 0.088% HB3 LYS+ 66 - HG12 ILE 19 11.111% * 0.0833% (0.69 1.0 1.00 0.02 0.02) = 0.083% HG2 PRO 52 - HG12 ILE 19 11.111% * 0.0696% (0.58 1.0 1.00 0.02 0.02) = 0.070% HG3 ARG+ 84 - HG12 ILE 19 11.111% * 0.0603% (0.50 1.0 1.00 0.02 0.02) = 0.060% Peak 2497 (1.38, 0.92, 28.42 ppm): 12 chemical-shift based assignments, quality = 0.814, support = 4.33, residual support = 89.5: * O HG13 ILE 68 - HG12 ILE 68 8.333% * 94.7280% (0.84 10.0 4.44 92.71) = 94.728% kept HG LEU 67 - HG12 ILE 68 8.333% * 4.8015% (0.32 1.0 2.70 34.91) = 4.802% kept QG2 THR 39 - HG12 ILE 68 8.333% * 0.0896% (0.80 1.0 0.02 0.02) = 0.090% HG2 LYS+ 78 - HG12 ILE 68 8.333% * 0.0759% (0.68 1.0 0.02 0.02) = 0.076% HD3 LYS+ 20 - HG12 ILE 68 8.333% * 0.0724% (0.64 1.0 0.02 0.02) = 0.072% QB ALA 11 - HG12 ILE 68 8.333% * 0.0461% (0.41 1.0 0.02 0.02) = 0.046% HB3 LYS+ 20 - HG12 ILE 68 8.333% * 0.0425% (0.38 1.0 0.02 0.02) = 0.042% QB ALA 93 - HG12 ILE 68 8.333% * 0.0389% (0.35 1.0 0.02 0.02) = 0.039% HG13 ILE 100 - HG12 ILE 68 8.333% * 0.0389% (0.35 1.0 0.02 0.93) = 0.039% HB3 LEU 17 - HG12 ILE 68 8.333% * 0.0263% (0.23 1.0 0.02 0.02) = 0.026% QB ALA 37 - HG12 ILE 68 8.333% * 0.0211% (0.19 1.0 0.02 0.02) = 0.021% HG3 LYS+ 81 - HG12 ILE 68 8.333% * 0.0187% (0.17 1.0 0.02 0.02) = 0.019% Peak 2498 (0.91, 1.39, 28.32 ppm): 24 chemical-shift based assignments, quality = 0.694, support = 4.34, residual support = 79.5: * O HG12 ILE 68 - HG13 ILE 68 4.167% * 78.2767% (0.68 10.0 4.44 92.71) = 78.277% kept QD1 LEU 67 - HG13 ILE 68 4.167% * 19.8692% (0.80 1.0 4.35 34.91) = 19.869% kept QG2 VAL 80 - HG13 ILE 68 4.167% * 0.6702% (0.86 1.0 0.14 0.02) = 0.670% QG1 VAL 47 - HG13 ILE 68 4.167% * 0.3676% (0.72 1.0 0.09 0.02) = 0.368% QG2 VAL 40 - HG13 ILE 68 4.167% * 0.2876% (0.64 1.0 0.08 0.02) = 0.288% HG3 LYS+ 117 - HG13 ILE 68 4.167% * 0.0988% (0.86 1.0 0.02 0.02) = 0.099% HG3 LYS+ 110 - HG13 ILE 68 4.167% * 0.0871% (0.76 1.0 0.02 0.02) = 0.087% QG2 VAL 87 - HG13 ILE 68 4.167% * 0.0737% (0.64 1.0 0.02 0.02) = 0.074% QG2 VAL 105 - HG13 ILE 68 4.167% * 0.0468% (0.41 1.0 0.02 0.60) = 0.047% QD1 LEU 17 - HG13 ILE 68 4.167% * 0.0428% (0.37 1.0 0.02 0.02) = 0.043% QG1 VAL 105 - HG13 ILE 68 4.167% * 0.0389% (0.34 1.0 0.02 0.60) = 0.039% QG1 VAL 80 - HG13 ILE 68 4.167% * 0.0352% (0.31 1.0 0.02 0.02) = 0.035% QG2 VAL 80 - HG13 ILE 100 4.167% * 0.0123% (0.11 1.0 0.02 0.02) = 0.012% HG3 LYS+ 117 - HG13 ILE 100 4.167% * 0.0123% (0.11 1.0 0.02 0.02) = 0.012% QD1 LEU 67 - HG13 ILE 100 4.167% * 0.0113% (0.10 1.0 0.02 8.65) = 0.011% HG3 LYS+ 110 - HG13 ILE 100 4.167% * 0.0108% (0.09 1.0 0.02 0.02) = 0.011% QG1 VAL 47 - HG13 ILE 100 4.167% * 0.0103% (0.09 1.0 0.02 0.02) = 0.010% HG12 ILE 68 - HG13 ILE 100 4.167% * 0.0097% (0.09 1.0 0.02 0.93) = 0.010% QG2 VAL 40 - HG13 ILE 100 4.167% * 0.0092% (0.08 1.0 0.02 0.02) = 0.009% QG2 VAL 87 - HG13 ILE 100 4.167% * 0.0092% (0.08 1.0 0.02 0.35) = 0.009% QG2 VAL 105 - HG13 ILE 100 4.167% * 0.0058% (0.05 1.0 0.02 0.02) = 0.006% QD1 LEU 17 - HG13 ILE 100 4.167% * 0.0053% (0.05 1.0 0.02 0.02) = 0.005% QG1 VAL 105 - HG13 ILE 100 4.167% * 0.0048% (0.04 1.0 0.02 0.02) = 0.005% QG1 VAL 80 - HG13 ILE 100 4.167% * 0.0044% (0.04 1.0 0.02 0.02) = 0.004% Peak 2499 (0.92, 0.92, 28.38 ppm): 1 diagonal assignment: * HG12 ILE 68 - HG12 ILE 68 (0.89) kept Peak 2500 (0.73, 0.92, 28.40 ppm): 9 chemical-shift based assignments, quality = 0.86, support = 4.04, residual support = 79.7: * O QD1 ILE 68 - HG12 ILE 68 11.111% * 85.9407% (0.88 10.0 4.55 92.71) = 85.941% kept QG2 VAL 65 - HG12 ILE 68 11.111% * 4.3965% (0.88 1.0 1.02 1.17) = 4.396% kept HG3 LYS+ 44 - HG12 ILE 68 11.111% * 4.1066% (0.76 1.0 1.10 0.17) = 4.107% kept HG3 LYS+ 66 - HG12 ILE 68 11.111% * 2.2904% (0.76 1.0 0.61 0.02) = 2.290% kept QG2 ILE 48 - HG12 ILE 68 11.111% * 2.0234% (0.58 1.0 0.72 0.02) = 2.023% kept QG2 ILE 101 - HG12 ILE 68 11.111% * 1.0787% (0.44 1.0 0.50 0.10) = 1.079% kept QG1 VAL 40 - HG12 ILE 68 11.111% * 0.0854% (0.87 1.0 0.02 0.02) = 0.085% HG LEU 74 - HG12 ILE 68 11.111% * 0.0592% (0.61 1.0 0.02 1.08) = 0.059% QG2 THR 96 - HG12 ILE 68 11.111% * 0.0192% (0.20 1.0 0.02 0.02) = 0.019% Peak 2502 (0.68, 1.68, 28.25 ppm): 18 chemical-shift based assignments, quality = 0.85, support = 5.13, residual support = 93.6: * O T HG12 ILE 19 - HG13 ILE 19 5.556% * 49.8617% (0.88 10.0 10.00 5.01 96.68) = 49.862% kept O T QD1 ILE 19 - HG13 ILE 19 5.556% * 46.9580% (0.83 10.0 10.00 5.55 96.68) = 46.958% kept QG2 VAL 94 - HG13 ILE 19 5.556% * 2.6729% (0.87 1.0 1.00 1.09 0.38) = 2.673% kept T HG12 ILE 19 - HD3 LYS+ 55 5.556% * 0.1160% (0.20 1.0 10.00 0.02 0.02) = 0.116% T QD1 ILE 19 - HD3 LYS+ 55 5.556% * 0.1092% (0.19 1.0 10.00 0.02 0.02) = 0.109% QG2 ILE 48 - HG13 ILE 19 5.556% * 0.0509% (0.90 1.0 1.00 0.02 0.02) = 0.051% QG2 ILE 68 - HG13 ILE 19 5.556% * 0.0491% (0.87 1.0 1.00 0.02 0.02) = 0.049% QG1 VAL 62 - HG13 ILE 19 5.556% * 0.0407% (0.72 1.0 1.00 0.02 0.12) = 0.041% QG2 ILE 101 - HG13 ILE 19 5.556% * 0.0385% (0.68 1.0 1.00 0.02 0.02) = 0.039% QG1 VAL 65 - HG13 ILE 19 5.556% * 0.0248% (0.44 1.0 1.00 0.02 0.02) = 0.025% QG2 THR 96 - HG13 ILE 19 5.556% * 0.0157% (0.28 1.0 1.00 0.02 5.73) = 0.016% QG2 ILE 48 - HD3 LYS+ 55 5.556% * 0.0118% (0.21 1.0 1.00 0.02 0.02) = 0.012% QG2 VAL 94 - HD3 LYS+ 55 5.556% * 0.0114% (0.20 1.0 1.00 0.02 0.02) = 0.011% QG2 ILE 68 - HD3 LYS+ 55 5.556% * 0.0114% (0.20 1.0 1.00 0.02 0.02) = 0.011% QG1 VAL 62 - HD3 LYS+ 55 5.556% * 0.0095% (0.17 1.0 1.00 0.02 0.02) = 0.009% QG2 ILE 101 - HD3 LYS+ 55 5.556% * 0.0090% (0.16 1.0 1.00 0.02 0.02) = 0.009% QG1 VAL 65 - HD3 LYS+ 55 5.556% * 0.0058% (0.10 1.0 1.00 0.02 0.02) = 0.006% QG2 THR 96 - HD3 LYS+ 55 5.556% * 0.0037% (0.06 1.0 1.00 0.02 0.02) = 0.004% Peak 2503 (0.69, 0.68, 28.19 ppm): 1 diagonal assignment: * HG12 ILE 19 - HG12 ILE 19 (0.84) kept Peak 2504 (0.29, 1.63, 28.15 ppm): 4 chemical-shift based assignments, quality = 0.944, support = 2.64, residual support = 53.7: * O T QD2 LEU 23 - HG LEU 23 25.000% * 44.3816% (0.99 10.0 10.00 4.92 120.22) = 44.382% kept O T QG1 VAL 122 - HB VAL 122 25.000% * 40.3059% (0.90 10.0 10.00 1.00 0.94) = 40.306% kept T QD2 LEU 23 - HB VAL 122 25.000% * 8.0947% (0.91 1.0 10.00 0.40 0.02) = 8.095% kept T QG1 VAL 122 - HG LEU 23 25.000% * 7.2179% (0.98 1.0 10.00 0.33 0.02) = 7.218% kept Peak 2505 (0.01, 0.68, 28.20 ppm): 1 chemical-shift based assignment, quality = 0.763, support = 5.91, residual support = 96.7: * O T QG2 ILE 19 - HG12 ILE 19 100.000% *100.0000% (0.76 10.0 10.00 5.91 96.68) = 100.000% kept Peak 2506 (8.94, 3.92, 69.46 ppm): 5 chemical-shift based assignments, quality = 0.892, support = 3.1, residual support = 19.6: * O HN THR 96 - HB THR 96 20.000% * 92.2285% (0.93 10.0 3.18 20.98) = 92.228% kept HN MET 97 - HB THR 96 20.000% * 5.4720% (0.38 1.0 2.86 4.81) = 5.472% kept HN ARG+ 22 - HB THR 96 20.000% * 1.7022% (0.90 1.0 0.38 0.02) = 1.702% kept HN LEU 17 - HB THR 96 20.000% * 0.5045% (0.57 1.0 0.18 0.22) = 0.504% HN PHE 21 - HB THR 96 20.000% * 0.0928% (0.93 1.0 0.02 0.02) = 0.093% Peak 2507 (7.08, 4.39, 69.34 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2508 (4.83, 3.92, 69.48 ppm): 5 chemical-shift based assignments, quality = 0.292, support = 2.71, residual support = 20.7: * O HA THR 96 - HB THR 96 20.000% * 98.8418% (0.30 10.0 2.74 20.98) = 98.842% kept HA ASP- 115 - HB THR 96 20.000% * 0.7305% (0.13 1.0 0.33 0.02) = 0.730% HB THR 39 - HB THR 96 20.000% * 0.1875% (0.56 1.0 0.02 0.02) = 0.187% HA GLU- 18 - HB THR 96 20.000% * 0.1758% (0.53 1.0 0.02 0.02) = 0.176% HA LEU 23 - HB THR 96 20.000% * 0.0645% (0.19 1.0 0.02 0.02) = 0.065% Peak 2509 (4.48, 1.22, 28.01 ppm): 9 chemical-shift based assignments, quality = 0.873, support = 4.72, residual support = 66.6: * O HA ILE 100 - HG12 ILE 100 11.111% * 97.5032% (0.88 10.0 4.83 68.30) = 97.503% kept HA GLN 102 - HG12 ILE 100 11.111% * 2.0851% (0.88 1.0 0.43 0.14) = 2.085% kept HA MET 126 - HG12 ILE 100 11.111% * 0.1054% (0.95 1.0 0.02 0.02) = 0.105% HA LYS+ 32 - HG12 ILE 100 11.111% * 0.1019% (0.92 1.0 0.02 0.02) = 0.102% HA CYS 123 - HG12 ILE 100 11.111% * 0.0556% (0.50 1.0 0.02 0.02) = 0.056% HA SER 77 - HG12 ILE 100 11.111% * 0.0556% (0.50 1.0 0.02 0.02) = 0.056% HA GLU- 50 - HG12 ILE 100 11.111% * 0.0434% (0.39 1.0 0.02 1.00) = 0.043% HA MET 118 - HG12 ILE 100 11.111% * 0.0263% (0.24 1.0 0.02 0.02) = 0.026% HB THR 79 - HG12 ILE 100 11.111% * 0.0235% (0.21 1.0 0.02 0.02) = 0.024% Peak 2511 (3.92, 3.92, 69.47 ppm): 1 diagonal assignment: * HB THR 96 - HB THR 96 (0.90) kept Peak 2522 (1.65, 0.80, 27.97 ppm): 13 chemical-shift based assignments, quality = 0.71, support = 2.56, residual support = 8.48: HB3 LYS+ 66 - QD2 LEU 67 7.692% * 50.9630% (0.78 3.67 9.09) = 50.963% kept HG3 ARG+ 84 - QD2 LEU 67 7.692% * 17.9757% (0.89 1.14 0.99) = 17.976% kept HG2 ARG+ 22 - QD2 LEU 67 7.692% * 11.0475% (0.69 0.90 0.32) = 11.047% kept HB ILE 100 - QD2 LEU 67 7.692% * 8.3005% (0.75 0.62 8.65) = 8.300% kept HB ILE 68 - QD2 LEU 67 7.692% * 8.0691% (0.12 3.72 34.91) = 8.069% kept HG LEU 43 - QD2 LEU 67 7.692% * 2.5915% (0.12 1.20 3.85) = 2.591% kept HG LEU 23 - QD2 LEU 67 7.692% * 0.3079% (0.18 0.10 0.02) = 0.308% HB3 MET 97 - QD2 LEU 67 7.692% * 0.2327% (0.66 0.02 0.02) = 0.233% HB3 MET 126 - QD2 LEU 67 7.692% * 0.2073% (0.58 0.02 0.02) = 0.207% HB3 LYS+ 81 - QD2 LEU 67 7.692% * 0.1560% (0.44 0.02 0.02) = 0.156% HD3 LYS+ 55 - QD2 LEU 67 7.692% * 0.0561% (0.16 0.02 0.02) = 0.056% HG12 ILE 101 - QD2 LEU 67 7.692% * 0.0494% (0.14 0.02 0.02) = 0.049% HB VAL 122 - QD2 LEU 67 7.692% * 0.0434% (0.12 0.02 0.02) = 0.043% Peak 2523 (1.40, 1.22, 28.00 ppm): 14 chemical-shift based assignments, quality = 0.948, support = 3.4, residual support = 66.5: * O HG13 ILE 100 - HG12 ILE 100 7.143% * 97.3291% (0.95 10.0 3.48 68.30) = 97.329% kept QB ALA 93 - HG12 ILE 100 7.143% * 2.1505% (0.95 1.0 0.44 0.02) = 2.150% kept HG LEU 67 - HG12 ILE 100 7.143% * 0.0958% (0.94 1.0 0.02 8.65) = 0.096% HD3 LYS+ 20 - HG12 ILE 100 7.143% * 0.0917% (0.90 1.0 0.02 0.02) = 0.092% QB ALA 37 - HG12 ILE 100 7.143% * 0.0829% (0.81 1.0 0.02 0.02) = 0.083% HG13 ILE 68 - HG12 ILE 100 7.143% * 0.0522% (0.51 1.0 0.02 0.93) = 0.052% HD3 LYS+ 44 - HG12 ILE 100 7.143% * 0.0408% (0.40 1.0 0.02 0.02) = 0.041% QG2 THR 39 - HG12 ILE 100 7.143% * 0.0339% (0.33 1.0 0.02 0.02) = 0.034% QB ALA 91 - HG12 ILE 100 7.143% * 0.0306% (0.30 1.0 0.02 0.02) = 0.031% QG2 THR 38 - HG12 ILE 100 7.143% * 0.0248% (0.24 1.0 0.02 0.02) = 0.025% HG2 LYS+ 78 - HG12 ILE 100 7.143% * 0.0197% (0.19 1.0 0.02 0.02) = 0.020% HD3 LYS+ 113 - HG12 ILE 100 7.143% * 0.0174% (0.17 1.0 0.02 0.02) = 0.017% HG3 ARG+ 22 - HG12 ILE 100 7.143% * 0.0153% (0.15 1.0 0.02 0.02) = 0.015% HG3 LYS+ 55 - HG12 ILE 100 7.143% * 0.0153% (0.15 1.0 0.02 0.02) = 0.015% Peak 2524 (1.23, 1.40, 27.99 ppm): 6 chemical-shift based assignments, quality = 0.888, support = 3.39, residual support = 64.2: * O T HG12 ILE 100 - HG13 ILE 100 16.667% * 92.5262% (0.92 10.0 10.00 3.48 68.30) = 92.526% kept HB3 ARG+ 22 - HG13 ILE 100 16.667% * 4.1580% (0.74 1.0 1.00 1.11 0.02) = 4.158% kept HB2 LEU 67 - HG13 ILE 68 16.667% * 3.0033% (0.15 1.0 1.00 3.95 34.91) = 3.003% kept T HG12 ILE 100 - HG13 ILE 68 16.667% * 0.2332% (0.23 1.0 10.00 0.02 0.93) = 0.233% HB2 LEU 67 - HG13 ILE 100 16.667% * 0.0604% (0.60 1.0 1.00 0.02 8.65) = 0.060% HB3 ARG+ 22 - HG13 ILE 68 16.667% * 0.0188% (0.19 1.0 1.00 0.02 0.02) = 0.019% Peak 2525 (1.22, 1.22, 27.96 ppm): 1 diagonal assignment: * HG12 ILE 100 - HG12 ILE 100 (0.94) kept Peak 2526 (1.21, 0.80, 27.93 ppm): 3 chemical-shift based assignments, quality = 0.905, support = 4.36, residual support = 110.5: * O HB2 LEU 67 - QD2 LEU 67 33.333% * 96.0527% (0.91 10.0 1.00 4.52 115.02) = 96.053% kept HB3 ARG+ 22 - QD2 LEU 67 33.333% * 3.1713% (0.91 1.0 1.00 0.66 0.32) = 3.171% kept T HG12 ILE 100 - QD2 LEU 67 33.333% * 0.7760% (0.74 1.0 10.00 0.02 8.65) = 0.776% Peak 2527 (0.84, 1.40, 27.94 ppm): 20 chemical-shift based assignments, quality = 0.374, support = 3.04, residual support = 44.7: * O T QG2 ILE 100 - HG13 ILE 100 5.000% * 65.4254% (0.15 10.0 10.00 4.37 68.30) = 65.425% kept QG1 VAL 13 - HG13 ILE 100 5.000% * 13.2716% (0.92 1.0 1.00 0.66 0.14) = 13.272% kept QG2 VAL 13 - HG13 ILE 100 5.000% * 10.2333% (0.85 1.0 1.00 0.56 0.14) = 10.233% kept QD1 ILE 29 - HG13 ILE 100 5.000% * 6.8485% (0.92 1.0 1.00 0.34 0.02) = 6.849% kept T QD2 LEU 17 - HG13 ILE 68 5.000% * 1.3150% (0.07 1.0 10.00 0.09 0.02) = 1.315% kept QD1 ILE 29 - HG13 ILE 68 5.000% * 1.3086% (0.13 1.0 1.00 0.46 0.02) = 1.309% kept HG2 LYS+ 117 - HG13 ILE 100 5.000% * 0.4231% (0.97 1.0 1.00 0.02 0.02) = 0.423% QG1 VAL 94 - HG13 ILE 100 5.000% * 0.3079% (0.71 1.0 1.00 0.02 0.02) = 0.308% QD2 LEU 17 - HG13 ILE 100 5.000% * 0.2064% (0.48 1.0 1.00 0.02 0.02) = 0.206% QD2 LEU 90 - HG13 ILE 100 5.000% * 0.1591% (0.37 1.0 1.00 0.02 0.02) = 0.159% T QG2 ILE 100 - HG13 ILE 68 5.000% * 0.0937% (0.02 1.0 10.00 0.02 0.93) = 0.094% QD2 LEU 67 - HG13 ILE 100 5.000% * 0.0743% (0.17 1.0 1.00 0.02 8.65) = 0.074% QD1 LEU 90 - HG13 ILE 100 5.000% * 0.0743% (0.17 1.0 1.00 0.02 0.02) = 0.074% HG2 LYS+ 117 - HG13 ILE 68 5.000% * 0.0606% (0.14 1.0 1.00 0.02 0.02) = 0.061% QG1 VAL 13 - HG13 ILE 68 5.000% * 0.0574% (0.13 1.0 1.00 0.02 0.02) = 0.057% QG2 VAL 13 - HG13 ILE 68 5.000% * 0.0527% (0.12 1.0 1.00 0.02 0.02) = 0.053% QG1 VAL 94 - HG13 ILE 68 5.000% * 0.0441% (0.10 1.0 1.00 0.02 0.02) = 0.044% QD2 LEU 90 - HG13 ILE 68 5.000% * 0.0228% (0.05 1.0 1.00 0.02 0.02) = 0.023% QD2 LEU 67 - HG13 ILE 68 5.000% * 0.0106% (0.02 1.0 1.00 0.02 34.91) = 0.011% QD1 LEU 90 - HG13 ILE 68 5.000% * 0.0106% (0.02 1.0 1.00 0.02 0.02) = 0.011% Peak 2528 (0.83, 1.22, 27.96 ppm): 8 chemical-shift based assignments, quality = 0.653, support = 0.318, residual support = 1.32: QG2 VAL 13 - HG12 ILE 100 12.500% * 64.5585% (0.65 1.00 0.48 0.14) = 64.558% kept T QD2 LEU 67 - HG12 ILE 100 12.500% * 14.1243% (0.34 10.00 0.02 8.65) = 14.124% kept QD1 ILE 29 - HG12 ILE 100 12.500% * 4.1315% (1.00 1.00 0.02 0.02) = 4.132% kept QG1 VAL 13 - HG12 ILE 100 12.500% * 4.1315% (1.00 1.00 0.02 0.14) = 4.132% kept QG1 VAL 94 - HG12 ILE 100 12.500% * 3.8224% (0.92 1.00 0.02 0.02) = 3.822% kept HG2 LYS+ 117 - HG12 ILE 100 12.500% * 3.7135% (0.90 1.00 0.02 0.02) = 3.714% kept QD2 LEU 17 - HG12 ILE 100 12.500% * 3.0068% (0.73 1.00 0.02 0.02) = 3.007% kept QD2 LEU 90 - HG12 ILE 100 12.500% * 2.5115% (0.61 1.00 0.02 0.02) = 2.511% kept Peak 2529 (0.81, 0.81, 27.87 ppm): 1 diagonal assignment: * QD2 LEU 67 - QD2 LEU 67 (0.99) kept Peak 2530 (0.48, 0.81, 27.90 ppm): 2 chemical-shift based assignments, quality = 0.763, support = 2.65, residual support = 8.56: QD2 LEU 43 - QD2 LEU 67 50.000% * 64.7295% (0.98 2.31 3.85) = 64.730% kept * QD2 LEU 74 - QD2 LEU 67 50.000% * 35.2705% (0.37 3.29 17.19) = 35.270% kept Peak 2531 (-0.04, 0.81, 27.84 ppm): 1 chemical-shift based assignment, quality = 0.736, support = 2.54, residual support = 17.2: * QD1 LEU 74 - QD2 LEU 67 100.000% *100.0000% (0.74 2.54 17.19) = 100.000% kept Peak 2532 (8.47, 0.72, 27.60 ppm): 6 chemical-shift based assignments, quality = 0.722, support = 3.95, residual support = 101.5: * HN LEU 74 - HG LEU 74 16.667% * 63.7023% (0.61 5.73 159.05) = 63.702% kept HN GLU- 107 - HG LEU 74 16.667% * 18.4768% (1.00 1.01 0.72) = 18.477% kept HN GLY 92 - HG LEU 74 16.667% * 13.0457% (0.94 0.75 0.25) = 13.046% kept HN LYS+ 113 - HG LEU 74 16.667% * 4.4572% (0.65 0.38 0.02) = 4.457% kept HN GLU- 18 - HG LEU 74 16.667% * 0.1929% (0.53 0.02 0.02) = 0.193% HN GLU- 10 - HG LEU 74 16.667% * 0.1251% (0.34 0.02 0.02) = 0.125% Peak 2533 (4.47, 2.05, 27.61 ppm): 36 chemical-shift based assignments, quality = 0.93, support = 1.34, residual support = 1.04: HA GLN 102 - HG3 PRO 86 2.778% * 29.9343% (0.97 1.60 1.16) = 29.934% kept HA ILE 100 - HG3 PRO 86 2.778% * 29.9343% (0.97 1.60 1.16) = 29.934% kept HA MET 126 - HG3 PRO 86 2.778% * 19.3005% (0.98 1.02 0.68) = 19.300% kept HA LYS+ 32 - HG3 PRO 86 2.778% * 17.5262% (0.89 1.03 1.25) = 17.526% kept HA GLN 102 - HG2 PRO 112 2.778% * 1.5371% (0.15 0.55 0.02) = 1.537% kept HA GLU- 50 - HG3 PRO 86 2.778% * 0.2005% (0.52 0.02 0.02) = 0.201% HA SER 77 - HG3 PRO 86 2.778% * 0.1567% (0.41 0.02 0.02) = 0.157% HA CYS 123 - HG3 PRO 86 2.778% * 0.1567% (0.41 0.02 0.02) = 0.157% HA MET 118 - HG3 PRO 86 2.778% * 0.1300% (0.34 0.02 0.02) = 0.130% HA MET 126 - HG2 PRO 116 2.778% * 0.1237% (0.32 0.02 0.02) = 0.124% HA ILE 100 - HG2 PRO 116 2.778% * 0.1223% (0.32 0.02 0.02) = 0.122% HA GLN 102 - HG2 PRO 116 2.778% * 0.1223% (0.32 0.02 0.02) = 0.122% HA LYS+ 32 - HG2 PRO 116 2.778% * 0.1119% (0.29 0.02 0.02) = 0.112% HA GLU- 50 - HG2 PRO 116 2.778% * 0.0656% (0.17 0.02 0.02) = 0.066% HB THR 79 - HG3 PRO 86 2.778% * 0.0588% (0.15 0.02 0.02) = 0.059% HA MET 126 - HG2 PRO 112 2.778% * 0.0565% (0.15 0.02 0.02) = 0.056% HA ILE 100 - HG2 PRO 112 2.778% * 0.0558% (0.15 0.02 0.02) = 0.056% HA CYS 123 - HG2 PRO 116 2.778% * 0.0513% (0.13 0.02 0.02) = 0.051% HA SER 77 - HG2 PRO 116 2.778% * 0.0513% (0.13 0.02 0.02) = 0.051% HA LYS+ 32 - HG2 PRO 112 2.778% * 0.0511% (0.13 0.02 0.02) = 0.051% HA MET 118 - HG2 PRO 116 2.778% * 0.0426% (0.11 0.02 0.02) = 0.043% HA GLU- 50 - HG2 PRO 112 2.778% * 0.0300% (0.08 0.02 0.02) = 0.030% HA SER 77 - HG2 PRO 112 2.778% * 0.0234% (0.06 0.02 0.02) = 0.023% HA CYS 123 - HG2 PRO 112 2.778% * 0.0234% (0.06 0.02 0.02) = 0.023% HA MET 118 - HG2 PRO 112 2.778% * 0.0194% (0.05 0.02 0.02) = 0.019% HB THR 79 - HG2 PRO 116 2.778% * 0.0193% (0.05 0.02 0.02) = 0.019% HA MET 126 - HG3 PRO 112 2.778% * 0.0150% (0.04 0.02 0.02) = 0.015% HA ILE 100 - HG3 PRO 112 2.778% * 0.0148% (0.04 0.02 0.02) = 0.015% HA GLN 102 - HG3 PRO 112 2.778% * 0.0148% (0.04 0.02 0.02) = 0.015% HA LYS+ 32 - HG3 PRO 112 2.778% * 0.0136% (0.04 0.02 0.02) = 0.014% HB THR 79 - HG2 PRO 112 2.778% * 0.0088% (0.02 0.02 0.02) = 0.009% HA GLU- 50 - HG3 PRO 112 2.778% * 0.0080% (0.02 0.02 0.02) = 0.008% HA SER 77 - HG3 PRO 112 2.778% * 0.0062% (0.02 0.02 0.02) = 0.006% HA CYS 123 - HG3 PRO 112 2.778% * 0.0062% (0.02 0.02 0.02) = 0.006% HA MET 118 - HG3 PRO 112 2.778% * 0.0052% (0.01 0.02 0.02) = 0.005% HB THR 79 - HG3 PRO 112 2.778% * 0.0023% (0.01 0.02 0.02) = 0.002% Reference assignment not found: HA PRO 86 - HG3 PRO 86 Peak 2534 (4.29, 1.77, 27.51 ppm): 30 chemical-shift based assignments, quality = 0.657, support = 2.64, residual support = 61.6: O HA ARG+ 84 - HG2 ARG+ 84 3.333% * 76.4790% (0.69 10.0 3.10 78.16) = 76.479% kept HA PRO 52 - HG3 ARG+ 53 3.333% * 6.1528% (0.48 1.0 2.32 23.27) = 6.153% kept HA SER 85 - HG2 ARG+ 84 3.333% * 5.4829% (0.69 1.0 1.43 5.63) = 5.483% kept HA VAL 122 - HG2 ARG+ 84 3.333% * 2.9757% (0.87 1.0 0.61 1.53) = 2.976% kept HA LEU 90 - HG3 ARG+ 53 3.333% * 2.4624% (0.64 1.0 0.70 0.23) = 2.462% kept HA VAL 122 - HG3 ARG+ 53 3.333% * 1.7675% (0.61 1.0 0.52 0.02) = 1.768% kept HA PRO 52 - HG2 ARG+ 84 3.333% * 1.6191% (0.69 1.0 0.42 0.02) = 1.619% kept HB3 CYS 121 - HG2 ARG+ 84 3.333% * 0.9060% (0.95 1.0 0.17 0.02) = 0.906% HA CYS 121 - HG2 ARG+ 84 3.333% * 0.8589% (0.90 1.0 0.17 0.02) = 0.859% HA CYS 121 - HG3 ARG+ 53 3.333% * 0.2895% (0.62 1.0 0.08 0.02) = 0.290% HA THR 106 - HG2 ARG+ 84 3.333% * 0.1016% (0.91 1.0 0.02 0.02) = 0.102% HA LEU 90 - HG2 ARG+ 84 3.333% * 0.1016% (0.91 1.0 0.02 0.02) = 0.102% HA ASP- 36 - HG2 ARG+ 84 3.333% * 0.0805% (0.72 1.0 0.02 0.02) = 0.080% HA VAL 94 - HG2 ARG+ 84 3.333% * 0.0805% (0.72 1.0 0.02 0.02) = 0.080% HB3 CYS 121 - HG3 ARG+ 53 3.333% * 0.0730% (0.66 1.0 0.02 0.02) = 0.073% HA THR 106 - HG3 ARG+ 53 3.333% * 0.0706% (0.64 1.0 0.02 0.02) = 0.071% HA ASP- 36 - HG3 ARG+ 53 3.333% * 0.0559% (0.50 1.0 0.02 0.02) = 0.056% HA VAL 94 - HG3 ARG+ 53 3.333% * 0.0559% (0.50 1.0 0.02 0.02) = 0.056% HA SER 85 - HG3 ARG+ 53 3.333% * 0.0532% (0.48 1.0 0.02 0.02) = 0.053% HA ARG+ 84 - HG3 ARG+ 53 3.333% * 0.0532% (0.48 1.0 0.02 0.02) = 0.053% HA GLU- 56 - HG2 ARG+ 84 3.333% * 0.0513% (0.46 1.0 0.02 0.02) = 0.051% HA GLU- 64 - HG2 ARG+ 84 3.333% * 0.0359% (0.32 1.0 0.02 0.02) = 0.036% HA GLU- 56 - HG3 ARG+ 53 3.333% * 0.0356% (0.32 1.0 0.02 0.02) = 0.036% HA GLU- 75 - HG2 ARG+ 84 3.333% * 0.0325% (0.29 1.0 0.02 0.02) = 0.033% HA ILE 29 - HG2 ARG+ 84 3.333% * 0.0293% (0.26 1.0 0.02 0.02) = 0.029% HA GLU- 64 - HG3 ARG+ 53 3.333% * 0.0250% (0.22 1.0 0.02 0.02) = 0.025% HA GLU- 75 - HG3 ARG+ 53 3.333% * 0.0226% (0.20 1.0 0.02 0.02) = 0.023% HA ILE 29 - HG3 ARG+ 53 3.333% * 0.0204% (0.18 1.0 0.02 0.02) = 0.020% HA ALA 93 - HG2 ARG+ 84 3.333% * 0.0163% (0.15 1.0 0.02 0.02) = 0.016% HA ALA 93 - HG3 ARG+ 53 3.333% * 0.0113% (0.10 1.0 0.02 0.02) = 0.011% Peak 2535 (4.28, 1.66, 27.61 ppm): 54 chemical-shift based assignments, quality = 0.777, support = 3.41, residual support = 76.4: * O HA ARG+ 84 - HG3 ARG+ 84 1.852% * 67.7919% (0.92 10.0 3.25 78.16) = 67.792% kept O HA PRO 52 - HG2 PRO 52 1.852% * 19.2484% (0.26 10.0 5.48 119.56) = 19.248% kept HA SER 85 - HG3 ARG+ 84 1.852% * 5.2636% (0.92 1.0 1.55 5.63) = 5.264% kept HA VAL 122 - HG3 ARG+ 84 1.852% * 4.7842% (0.97 1.0 1.34 1.53) = 4.784% kept HB3 CYS 121 - HG3 ARG+ 84 1.852% * 1.0531% (0.84 1.0 0.34 0.02) = 1.053% kept HA CYS 121 - HG3 ARG+ 84 1.852% * 0.8816% (0.71 1.0 0.34 0.02) = 0.882% HA LEU 90 - HG3 ARG+ 84 1.852% * 0.0702% (0.95 1.0 0.02 0.02) = 0.070% HA VAL 94 - HG3 ARG+ 84 1.852% * 0.0692% (0.94 1.0 0.02 0.02) = 0.069% HA PRO 52 - HG3 ARG+ 84 1.852% * 0.0678% (0.92 1.0 0.02 0.02) = 0.068% HA GLU- 56 - HG3 ARG+ 84 1.852% * 0.0548% (0.74 1.0 0.02 0.02) = 0.055% HA THR 106 - HG3 ARG+ 84 1.852% * 0.0548% (0.74 1.0 0.02 0.02) = 0.055% HA GLU- 64 - HG3 ARG+ 84 1.852% * 0.0435% (0.59 1.0 0.02 0.02) = 0.043% HA GLU- 75 - HG3 ARG+ 84 1.852% * 0.0406% (0.55 1.0 0.02 0.02) = 0.041% HA ASP- 36 - HG3 ARG+ 84 1.852% * 0.0349% (0.47 1.0 0.02 0.02) = 0.035% HA VAL 122 - HG12 ILE 101 1.852% * 0.0204% (0.28 1.0 0.02 0.02) = 0.020% HA VAL 122 - HG2 PRO 52 1.852% * 0.0203% (0.28 1.0 0.02 1.58) = 0.020% HA LEU 90 - HG12 ILE 101 1.852% * 0.0200% (0.27 1.0 0.02 0.02) = 0.020% HA LEU 90 - HG2 PRO 52 1.852% * 0.0199% (0.27 1.0 0.02 2.38) = 0.020% HA GLU- 107 - HG3 ARG+ 84 1.852% * 0.0199% (0.27 1.0 0.02 0.02) = 0.020% HA ASN 119 - HG3 ARG+ 84 1.852% * 0.0199% (0.27 1.0 0.02 0.02) = 0.020% HA VAL 94 - HG12 ILE 101 1.852% * 0.0197% (0.27 1.0 0.02 0.02) = 0.020% HA VAL 94 - HG2 PRO 52 1.852% * 0.0196% (0.27 1.0 0.02 0.02) = 0.020% HA SER 85 - HG12 ILE 101 1.852% * 0.0193% (0.26 1.0 0.02 0.02) = 0.019% HA ARG+ 84 - HG12 ILE 101 1.852% * 0.0193% (0.26 1.0 0.02 0.02) = 0.019% HA PRO 52 - HG12 ILE 101 1.852% * 0.0193% (0.26 1.0 0.02 0.02) = 0.019% HA SER 85 - HG2 PRO 52 1.852% * 0.0192% (0.26 1.0 0.02 0.02) = 0.019% HA ARG+ 84 - HG2 PRO 52 1.852% * 0.0192% (0.26 1.0 0.02 0.02) = 0.019% HA ASN 76 - HG3 ARG+ 84 1.852% * 0.0179% (0.24 1.0 0.02 0.02) = 0.018% HB3 CYS 121 - HG12 ILE 101 1.852% * 0.0177% (0.24 1.0 0.02 0.02) = 0.018% HB3 CYS 121 - HG2 PRO 52 1.852% * 0.0177% (0.24 1.0 0.02 0.02) = 0.018% HA GLU- 56 - HG12 ILE 101 1.852% * 0.0156% (0.21 1.0 0.02 1.14) = 0.016% HA THR 106 - HG12 ILE 101 1.852% * 0.0156% (0.21 1.0 0.02 0.02) = 0.016% HA GLU- 56 - HG2 PRO 52 1.852% * 0.0156% (0.21 1.0 0.02 0.02) = 0.016% HA THR 106 - HG2 PRO 52 1.852% * 0.0156% (0.21 1.0 0.02 0.02) = 0.016% HA CYS 121 - HG12 ILE 101 1.852% * 0.0148% (0.20 1.0 0.02 0.02) = 0.015% HA CYS 121 - HG2 PRO 52 1.852% * 0.0148% (0.20 1.0 0.02 0.02) = 0.015% HA ALA 11 - HG3 ARG+ 84 1.852% * 0.0142% (0.19 1.0 0.02 0.02) = 0.014% HA GLU- 64 - HG12 ILE 101 1.852% * 0.0124% (0.17 1.0 0.02 0.02) = 0.012% HA GLU- 64 - HG2 PRO 52 1.852% * 0.0123% (0.17 1.0 0.02 0.02) = 0.012% HA GLU- 75 - HG12 ILE 101 1.852% * 0.0116% (0.16 1.0 0.02 1.35) = 0.012% HA GLU- 75 - HG2 PRO 52 1.852% * 0.0115% (0.16 1.0 0.02 0.02) = 0.012% HB3 SER 49 - HG3 ARG+ 84 1.852% * 0.0112% (0.15 1.0 0.02 0.02) = 0.011% HA ASP- 36 - HG12 ILE 101 1.852% * 0.0099% (0.13 1.0 0.02 0.02) = 0.010% HA ASP- 36 - HG2 PRO 52 1.852% * 0.0099% (0.13 1.0 0.02 0.02) = 0.010% HA GLU- 107 - HG12 ILE 101 1.852% * 0.0057% (0.08 1.0 0.02 0.02) = 0.006% HA ASN 119 - HG12 ILE 101 1.852% * 0.0057% (0.08 1.0 0.02 0.02) = 0.006% HA GLU- 107 - HG2 PRO 52 1.852% * 0.0057% (0.08 1.0 0.02 0.02) = 0.006% HA ASN 119 - HG2 PRO 52 1.852% * 0.0057% (0.08 1.0 0.02 0.02) = 0.006% HA ASN 76 - HG12 ILE 101 1.852% * 0.0051% (0.07 1.0 0.02 0.02) = 0.005% HA ASN 76 - HG2 PRO 52 1.852% * 0.0051% (0.07 1.0 0.02 0.02) = 0.005% HA ALA 11 - HG12 ILE 101 1.852% * 0.0040% (0.05 1.0 0.02 0.02) = 0.004% HA ALA 11 - HG2 PRO 52 1.852% * 0.0040% (0.05 1.0 0.02 0.02) = 0.004% HB3 SER 49 - HG12 ILE 101 1.852% * 0.0032% (0.04 1.0 0.02 2.53) = 0.003% HB3 SER 49 - HG2 PRO 52 1.852% * 0.0032% (0.04 1.0 0.02 0.02) = 0.003% Peak 2536 (3.90, 2.14, 27.77 ppm): 12 chemical-shift based assignments, quality = 0.22, support = 0.678, residual support = 1.34: T HD3 PRO 35 - HG2 PRO 112 8.333% * 73.1861% (0.25 10.00 0.76 1.75) = 73.186% kept T HA GLU- 45 - HG2 PRO 112 8.333% * 19.4277% (0.08 10.00 0.61 0.28) = 19.428% kept T HD2 PRO 86 - HG2 PRO 112 8.333% * 2.6497% (0.34 10.00 0.02 0.02) = 2.650% kept T HD2 PRO 116 - HG2 PRO 112 8.333% * 2.2781% (0.29 10.00 0.02 0.02) = 2.278% kept HB2 SER 77 - HG2 PRO 112 8.333% * 1.7158% (0.50 1.00 0.09 0.02) = 1.716% kept HB2 SER 77 - HG2 PRO 104 8.333% * 0.1948% (0.25 1.00 0.02 0.02) = 0.195% HD2 PRO 86 - HG2 PRO 104 8.333% * 0.1321% (0.17 1.00 0.02 0.02) = 0.132% HB THR 96 - HG2 PRO 112 8.333% * 0.1167% (0.15 1.00 0.02 0.02) = 0.117% HD2 PRO 116 - HG2 PRO 104 8.333% * 0.1135% (0.15 1.00 0.02 0.02) = 0.114% HD3 PRO 35 - HG2 PRO 104 8.333% * 0.0959% (0.12 1.00 0.02 0.02) = 0.096% HB THR 96 - HG2 PRO 104 8.333% * 0.0582% (0.07 1.00 0.02 0.02) = 0.058% HA GLU- 45 - HG2 PRO 104 8.333% * 0.0316% (0.04 1.00 0.02 0.02) = 0.032% Peak 2537 (3.84, 2.02, 27.60 ppm): 40 chemical-shift based assignments, quality = 0.373, support = 3.39, residual support = 13.4: * O T HD3 PRO 116 - HG2 PRO 116 2.500% * 53.3879% (0.30 10.0 10.00 4.31 16.46) = 53.388% kept HA LYS+ 117 - HG2 PRO 116 2.500% * 18.6752% (0.97 1.0 1.00 2.20 3.37) = 18.675% kept O T HD3 PRO 86 - HG3 PRO 86 2.500% * 17.3404% (0.10 10.0 10.00 3.38 22.64) = 17.340% kept HB2 SER 85 - HG3 PRO 86 2.500% * 3.5040% (0.21 1.0 1.00 1.92 2.67) = 3.504% kept T HA GLU- 45 - HG3 PRO 86 2.500% * 1.9772% (0.10 1.0 10.00 0.23 0.02) = 1.977% kept T HA GLU- 45 - HG2 PRO 112 2.500% * 1.6701% (0.03 1.0 10.00 0.61 0.28) = 1.670% kept HB3 SER 88 - HG3 PRO 86 2.500% * 1.1807% (0.22 1.0 1.00 0.60 0.02) = 1.181% kept T HD3 PRO 86 - HG2 PRO 116 2.500% * 0.4313% (0.25 1.0 10.00 0.02 0.02) = 0.431% T HD3 PRO 116 - HG3 PRO 86 2.500% * 0.2146% (0.12 1.0 10.00 0.02 0.02) = 0.215% HB3 SER 77 - HG2 PRO 112 2.500% * 0.2006% (0.06 1.0 1.00 0.38 0.02) = 0.201% HB2 SER 85 - HG2 PRO 112 2.500% * 0.1475% (0.07 1.0 1.00 0.26 0.02) = 0.148% T HD3 PRO 116 - HG3 PRO 112 2.500% * 0.0996% (0.06 1.0 10.00 0.02 0.02) = 0.100% HB3 SER 88 - HG2 PRO 116 2.500% * 0.0979% (0.56 1.0 1.00 0.02 0.02) = 0.098% HB2 SER 85 - HG2 PRO 116 2.500% * 0.0910% (0.52 1.0 1.00 0.02 0.02) = 0.091% HA2 GLY 92 - HG2 PRO 116 2.500% * 0.0842% (0.48 1.0 1.00 0.02 0.02) = 0.084% HB3 SER 77 - HG2 PRO 116 2.500% * 0.0842% (0.48 1.0 1.00 0.02 0.02) = 0.084% HA2 GLY 114 - HG2 PRO 116 2.500% * 0.0842% (0.48 1.0 1.00 0.02 0.48) = 0.084% T HD3 PRO 86 - HG3 PRO 112 2.500% * 0.0804% (0.05 1.0 10.00 0.02 0.02) = 0.080% HA LYS+ 117 - HG3 PRO 86 2.500% * 0.0682% (0.39 1.0 1.00 0.02 0.02) = 0.068% T HD3 PRO 116 - HG2 PRO 112 2.500% * 0.0674% (0.04 1.0 10.00 0.02 0.02) = 0.067% HB3 SER 88 - HG2 PRO 112 2.500% * 0.0673% (0.07 1.0 1.00 0.11 0.02) = 0.067% T HD3 PRO 86 - HG2 PRO 112 2.500% * 0.0544% (0.03 1.0 10.00 0.02 0.02) = 0.054% HB3 SER 27 - HG2 PRO 116 2.500% * 0.0481% (0.27 1.0 1.00 0.02 0.02) = 0.048% HA GLU- 45 - HG2 PRO 116 2.500% * 0.0431% (0.25 1.0 1.00 0.02 0.02) = 0.043% HA2 GLY 92 - HG3 PRO 86 2.500% * 0.0338% (0.19 1.0 1.00 0.02 0.02) = 0.034% HA2 GLY 114 - HG3 PRO 86 2.500% * 0.0338% (0.19 1.0 1.00 0.02 0.02) = 0.034% HB3 SER 77 - HG3 PRO 86 2.500% * 0.0338% (0.19 1.0 1.00 0.02 0.02) = 0.034% HA LYS+ 117 - HG3 PRO 112 2.500% * 0.0316% (0.18 1.0 1.00 0.02 0.02) = 0.032% HA LYS+ 117 - HG2 PRO 112 2.500% * 0.0214% (0.12 1.0 1.00 0.02 0.02) = 0.021% HB3 SER 27 - HG3 PRO 86 2.500% * 0.0193% (0.11 1.0 1.00 0.02 0.02) = 0.019% HB3 SER 88 - HG3 PRO 112 2.500% * 0.0183% (0.10 1.0 1.00 0.02 0.02) = 0.018% HB2 SER 85 - HG3 PRO 112 2.500% * 0.0170% (0.10 1.0 1.00 0.02 0.02) = 0.017% HA2 GLY 92 - HG3 PRO 112 2.500% * 0.0157% (0.09 1.0 1.00 0.02 0.02) = 0.016% HA2 GLY 114 - HG3 PRO 112 2.500% * 0.0157% (0.09 1.0 1.00 0.02 0.02) = 0.016% HB3 SER 77 - HG3 PRO 112 2.500% * 0.0157% (0.09 1.0 1.00 0.02 0.02) = 0.016% HA2 GLY 92 - HG2 PRO 112 2.500% * 0.0106% (0.06 1.0 1.00 0.02 0.02) = 0.011% HA2 GLY 114 - HG2 PRO 112 2.500% * 0.0106% (0.06 1.0 1.00 0.02 0.02) = 0.011% HB3 SER 27 - HG3 PRO 112 2.500% * 0.0090% (0.05 1.0 1.00 0.02 0.02) = 0.009% HA GLU- 45 - HG3 PRO 112 2.500% * 0.0080% (0.05 1.0 1.00 0.02 0.28) = 0.008% HB3 SER 27 - HG2 PRO 112 2.500% * 0.0061% (0.03 1.0 1.00 0.02 0.02) = 0.006% Peak 2538 (3.61, 1.99, 27.56 ppm): 5 chemical-shift based assignments, quality = 0.077, support = 3.21, residual support = 25.0: T HD2 PRO 112 - HG3 PRO 104 20.000% * 37.6037% (0.09 1.0 10.00 1.68 3.72) = 37.604% kept * O T HD2 PRO 112 - HG3 PRO 112 20.000% * 31.1878% (0.06 10.0 10.00 3.66 39.48) = 31.188% kept O T HD2 PRO 112 - HG2 PRO 112 20.000% * 28.6078% (0.06 10.0 10.00 5.00 39.48) = 28.608% kept T HD2 PRO 112 - HG2 PRO 116 20.000% * 1.3977% (0.28 1.0 10.00 0.02 0.02) = 1.398% kept T HD2 PRO 112 - HG3 PRO 116 20.000% * 1.2030% (0.24 1.0 10.00 0.02 0.02) = 1.203% kept Peak 2539 (3.61, 1.93, 27.60 ppm): 6 chemical-shift based assignments, quality = 0.0488, support = 4.51, residual support = 35.7: * O T HD2 PRO 112 - HG2 PRO 112 16.667% * 90.2227% (0.04 10.0 10.00 5.00 39.48) = 90.223% kept T HD2 PRO 112 - HG3 PRO 116 16.667% * 4.3416% (0.20 1.0 10.00 0.02 0.02) = 4.342% kept T HD2 PRO 104 - HG3 PRO 116 16.667% * 2.1322% (0.10 1.0 10.00 0.02 0.02) = 2.132% kept T HD2 PRO 104 - HG2 PRO 112 16.667% * 1.8744% (0.02 1.0 10.00 0.08 3.72) = 1.874% kept T HD2 PRO 31 - HG3 PRO 116 16.667% * 1.1832% (0.05 1.0 10.00 0.02 0.02) = 1.183% kept T HD2 PRO 31 - HG2 PRO 112 16.667% * 0.2459% (0.01 1.0 10.00 0.02 0.02) = 0.246% Peak 2542 (3.18, 1.66, 27.58 ppm): 6 chemical-shift based assignments, quality = 0.936, support = 3.73, residual support = 78.0: * O T HD3 ARG+ 84 - HG3 ARG+ 84 16.667% * 99.8332% (0.94 10.0 10.00 3.74 78.16) = 99.833% kept HB3 PHE 34 - HG3 ARG+ 84 16.667% * 0.0725% (0.68 1.0 1.00 0.02 2.40) = 0.072% HD3 ARG+ 84 - HG12 ILE 101 16.667% * 0.0274% (0.26 1.0 1.00 0.02 0.02) = 0.027% HD3 ARG+ 84 - HG2 PRO 52 16.667% * 0.0272% (0.26 1.0 1.00 0.02 0.02) = 0.027% HB3 PHE 34 - HG12 ILE 101 16.667% * 0.0199% (0.19 1.0 1.00 0.02 0.41) = 0.020% HB3 PHE 34 - HG2 PRO 52 16.667% * 0.0198% (0.19 1.0 1.00 0.02 0.02) = 0.020% Peak 2546 (2.58, 2.14, 27.70 ppm): 1 diagonal assignment: HG2 PRO 112 - HG2 PRO 112 (0.08) kept Peak 2547 (2.58, 2.08, 27.66 ppm): 1 diagonal assignment: * HG2 PRO 112 - HG2 PRO 112 (0.05) kept Peak 2551 (2.30, 2.02, 27.54 ppm): 14 chemical-shift based assignments, quality = 0.791, support = 3.63, residual support = 17.0: * O HB3 PRO 116 - HG2 PRO 116 7.143% * 83.9521% (0.92 10.0 1.00 3.66 16.46) = 83.952% kept O HB3 PRO 86 - HG3 PRO 86 7.143% * 14.2265% (0.16 10.0 1.00 3.97 22.64) = 14.227% kept T HG2 GLU- 64 - HG2 PRO 116 7.143% * 0.8321% (0.91 1.0 10.00 0.02 0.02) = 0.832% T HG2 GLU- 64 - HG3 PRO 86 7.143% * 0.3757% (0.41 1.0 10.00 0.02 0.02) = 0.376% T HG2 PRO 112 - HG3 PRO 86 7.143% * 0.3496% (0.38 1.0 10.00 0.02 0.02) = 0.350% HG2 PRO 112 - HG2 PRO 116 7.143% * 0.0774% (0.85 1.0 1.00 0.02 0.02) = 0.077% HB2 LYS+ 44 - HG2 PRO 116 7.143% * 0.0475% (0.52 1.0 1.00 0.02 0.02) = 0.048% HB3 PRO 116 - HG3 PRO 86 7.143% * 0.0379% (0.41 1.0 1.00 0.02 0.02) = 0.038% HB3 PRO 86 - HG2 PRO 116 7.143% * 0.0315% (0.34 1.0 1.00 0.02 0.02) = 0.032% HB2 LYS+ 44 - HG3 PRO 86 7.143% * 0.0215% (0.23 1.0 1.00 0.02 0.02) = 0.021% HB3 PRO 112 - HG2 PRO 116 7.143% * 0.0184% (0.20 1.0 1.00 0.02 0.02) = 0.018% HB2 TYR 83 - HG2 PRO 116 7.143% * 0.0147% (0.16 1.0 1.00 0.02 0.02) = 0.015% HB3 PRO 112 - HG3 PRO 86 7.143% * 0.0083% (0.09 1.0 1.00 0.02 0.02) = 0.008% HB2 TYR 83 - HG3 PRO 86 7.143% * 0.0066% (0.07 1.0 1.00 0.02 0.02) = 0.007% Peak 2557 (2.04, 1.63, 27.60 ppm): 30 chemical-shift based assignments, quality = 0.844, support = 0.703, residual support = 0.723: T HB3 LYS+ 110 - HG12 ILE 101 3.333% * 78.0337% (0.93 10.00 0.73 0.77) = 78.034% kept HB3 GLU- 75 - HG12 ILE 101 3.333% * 7.7049% (0.59 1.00 1.13 1.35) = 7.705% kept HG3 PRO 86 - HG12 ILE 101 3.333% * 5.5076% (0.85 1.00 0.56 0.11) = 5.508% kept HG3 GLU- 64 - HG12 ILE 101 3.333% * 2.2946% (0.72 1.00 0.27 0.02) = 2.295% kept HB3 GLU- 64 - HG12 ILE 101 3.333% * 1.9336% (0.57 1.00 0.29 0.02) = 1.934% kept HB VAL 62 - HG12 ILE 101 3.333% * 1.0889% (0.15 1.00 0.64 0.80) = 1.089% kept T HB3 LYS+ 110 - HG3 ARG+ 84 3.333% * 0.9613% (0.41 10.00 0.02 0.02) = 0.961% HG2 PRO 112 - HG12 ILE 101 3.333% * 0.6463% (0.62 1.00 0.09 0.02) = 0.646% HG2 PRO 112 - HG3 ARG+ 84 3.333% * 0.3879% (0.28 1.00 0.12 0.02) = 0.388% HB2 GLU- 45 - HG12 ILE 101 3.333% * 0.1757% (0.76 1.00 0.02 0.02) = 0.176% HB3 GLU- 54 - HG12 ILE 101 3.333% * 0.1593% (0.69 1.00 0.02 0.02) = 0.159% HB3 GLU- 10 - HG12 ILE 101 3.333% * 0.1331% (0.57 1.00 0.02 0.02) = 0.133% HB3 PRO 31 - HG12 ILE 101 3.333% * 0.1154% (0.50 1.00 0.02 0.35) = 0.115% HG3 PRO 86 - HG3 ARG+ 84 3.333% * 0.0880% (0.38 1.00 0.02 0.02) = 0.088% HB2 GLU- 45 - HG3 ARG+ 84 3.333% * 0.0785% (0.34 1.00 0.02 0.02) = 0.079% HG3 GLU- 64 - HG3 ARG+ 84 3.333% * 0.0750% (0.32 1.00 0.02 0.02) = 0.075% HB3 GLU- 107 - HG12 ILE 101 3.333% * 0.0748% (0.32 1.00 0.02 0.02) = 0.075% HB3 GLU- 54 - HG3 ARG+ 84 3.333% * 0.0712% (0.31 1.00 0.02 0.02) = 0.071% HG2 PRO 116 - HG12 ILE 101 3.333% * 0.0677% (0.29 1.00 0.02 0.02) = 0.068% HB3 GLU- 75 - HG3 ARG+ 84 3.333% * 0.0610% (0.26 1.00 0.02 0.02) = 0.061% HB3 GLU- 10 - HG3 ARG+ 84 3.333% * 0.0595% (0.26 1.00 0.02 0.02) = 0.059% HB3 GLU- 64 - HG3 ARG+ 84 3.333% * 0.0595% (0.26 1.00 0.02 0.02) = 0.059% HB3 PRO 31 - HG3 ARG+ 84 3.333% * 0.0516% (0.22 1.00 0.02 0.02) = 0.052% HB2 GLU- 18 - HG12 ILE 101 3.333% * 0.0339% (0.15 1.00 0.02 0.52) = 0.034% HB3 GLU- 107 - HG3 ARG+ 84 3.333% * 0.0335% (0.14 1.00 0.02 0.02) = 0.033% HG2 PRO 116 - HG3 ARG+ 84 3.333% * 0.0303% (0.13 1.00 0.02 0.02) = 0.030% HG3 PRO 112 - HG12 ILE 101 3.333% * 0.0297% (0.13 1.00 0.02 0.02) = 0.030% HB2 GLU- 18 - HG3 ARG+ 84 3.333% * 0.0151% (0.07 1.00 0.02 3.05) = 0.015% HB VAL 62 - HG3 ARG+ 84 3.333% * 0.0151% (0.07 1.00 0.02 0.02) = 0.015% HG3 PRO 112 - HG3 ARG+ 84 3.333% * 0.0133% (0.06 1.00 0.02 0.02) = 0.013% Peak 2568 (2.01, 2.01, 27.51 ppm): 1 diagonal assignment: * HG2 PRO 116 - HG2 PRO 116 (0.82) kept Peak 2569 (1.85, 1.46, 27.62 ppm): 24 chemical-shift based assignments, quality = 0.183, support = 3.31, residual support = 46.8: O T HD3 PRO 52 - HG3 PRO 52 4.167% * 35.2146% (0.20 10.0 10.00 4.54 119.56) = 35.215% kept O HD2 PRO 59 - HG2 PRO 59 4.167% * 29.7541% (0.17 10.0 1.00 2.94 7.13) = 29.754% kept O HB2 PRO 59 - HG2 PRO 59 4.167% * 28.0214% (0.16 10.0 1.00 2.65 7.13) = 28.021% kept HB3 LYS+ 60 - HG2 PRO 59 4.167% * 4.3319% (0.23 1.0 1.00 2.07 12.86) = 4.332% kept HB2 LYS+ 66 - HG3 PRO 52 4.167% * 1.2332% (0.93 1.0 1.00 0.15 0.12) = 1.233% kept HG2 PRO 112 - HG3 PRO 52 4.167% * 0.1851% (0.17 1.0 1.00 0.12 0.02) = 0.185% HB3 LYS+ 60 - HG3 PRO 52 4.167% * 0.1717% (0.95 1.0 1.00 0.02 0.02) = 0.172% HB3 LYS+ 72 - HG3 PRO 52 4.167% * 0.1683% (0.93 1.0 1.00 0.02 0.02) = 0.168% HB2 PRO 104 - HG3 PRO 52 4.167% * 0.1643% (0.91 1.0 1.00 0.02 0.02) = 0.164% HB VAL 94 - HG3 PRO 52 4.167% * 0.1292% (0.72 1.0 1.00 0.02 0.02) = 0.129% HD2 PRO 59 - HG3 PRO 52 4.167% * 0.1222% (0.68 1.0 1.00 0.02 0.02) = 0.122% HB2 PRO 59 - HG3 PRO 52 4.167% * 0.1151% (0.64 1.0 1.00 0.02 0.02) = 0.115% T HD3 PRO 52 - HG2 PRO 59 4.167% * 0.0857% (0.05 1.0 10.00 0.02 0.02) = 0.086% HB2 LYS+ 66 - HG2 PRO 59 4.167% * 0.0410% (0.23 1.0 1.00 0.02 0.28) = 0.041% HB3 LYS+ 72 - HG2 PRO 59 4.167% * 0.0410% (0.23 1.0 1.00 0.02 1.46) = 0.041% HB2 PRO 104 - HG2 PRO 59 4.167% * 0.0400% (0.22 1.0 1.00 0.02 0.02) = 0.040% HB3 ARG+ 84 - HG3 PRO 52 4.167% * 0.0396% (0.22 1.0 1.00 0.02 0.02) = 0.040% HD3 LYS+ 117 - HG3 PRO 52 4.167% * 0.0396% (0.22 1.0 1.00 0.02 0.02) = 0.040% HG3 LYS+ 108 - HG3 PRO 52 4.167% * 0.0352% (0.20 1.0 1.00 0.02 0.02) = 0.035% HB VAL 94 - HG2 PRO 59 4.167% * 0.0315% (0.17 1.0 1.00 0.02 0.02) = 0.031% HB3 ARG+ 84 - HG2 PRO 59 4.167% * 0.0096% (0.05 1.0 1.00 0.02 0.02) = 0.010% HD3 LYS+ 117 - HG2 PRO 59 4.167% * 0.0096% (0.05 1.0 1.00 0.02 0.02) = 0.010% HG3 LYS+ 108 - HG2 PRO 59 4.167% * 0.0086% (0.05 1.0 1.00 0.02 0.17) = 0.009% HG2 PRO 112 - HG2 PRO 59 4.167% * 0.0073% (0.04 1.0 1.00 0.02 0.02) = 0.007% Peak 2570 (1.73, 2.03, 27.51 ppm): 12 chemical-shift based assignments, quality = 0.442, support = 1.16, residual support = 1.82: HB2 LYS+ 117 - HG2 PRO 116 8.333% * 49.2149% (0.41 1.70 3.37) = 49.215% kept HB ILE 48 - HG3 PRO 86 8.333% * 30.9467% (0.51 0.86 0.49) = 30.947% kept HB ILE 48 - HG2 PRO 116 8.333% * 14.7703% (0.54 0.39 0.02) = 14.770% kept HB2 LEU 17 - HG3 PRO 86 8.333% * 1.3961% (0.22 0.09 0.02) = 1.396% kept HB3 LEU 23 - HG2 PRO 116 8.333% * 0.6161% (0.44 0.02 0.02) = 0.616% HB2 GLN 16 - HG2 PRO 116 8.333% * 0.6161% (0.44 0.02 0.02) = 0.616% HB2 GLN 16 - HG3 PRO 86 8.333% * 0.5798% (0.41 0.02 0.02) = 0.580% HB3 LEU 23 - HG3 PRO 86 8.333% * 0.5798% (0.41 0.02 0.02) = 0.580% HB2 LYS+ 117 - HG3 PRO 86 8.333% * 0.5436% (0.39 0.02 0.02) = 0.544% HB2 LEU 17 - HG2 PRO 116 8.333% * 0.3249% (0.23 0.02 0.02) = 0.325% HD3 PRO 59 - HG2 PRO 116 8.333% * 0.2120% (0.15 0.02 0.02) = 0.212% HD3 PRO 59 - HG3 PRO 86 8.333% * 0.1996% (0.14 0.02 0.02) = 0.200% Peak 2571 (1.67, 1.46, 27.63 ppm): 20 chemical-shift based assignments, quality = 0.42, support = 4.24, residual support = 93.4: O T HG2 PRO 52 - HG3 PRO 52 5.000% * 78.0919% (0.35 10.0 10.00 5.38 119.56) = 78.092% kept T HG3 ARG+ 84 - HG3 PRO 52 5.000% * 14.0480% (0.72 1.0 10.00 0.18 0.02) = 14.048% kept HB3 LYS+ 66 - HG3 PRO 52 5.000% * 2.7537% (0.87 1.0 1.00 0.29 0.12) = 2.754% kept T HB3 MET 126 - HG3 PRO 52 5.000% * 2.0807% (0.94 1.0 10.00 0.02 0.02) = 2.081% kept T HG2 PRO 52 - HG2 PRO 59 5.000% * 0.8743% (0.09 1.0 10.00 0.09 0.02) = 0.874% T HB3 MET 126 - HG2 PRO 59 5.000% * 0.5468% (0.25 1.0 10.00 0.02 0.02) = 0.547% T HG3 ARG+ 84 - HG2 PRO 59 5.000% * 0.4179% (0.19 1.0 10.00 0.02 0.02) = 0.418% HB3 MET 97 - HG3 PRO 52 5.000% * 0.2062% (0.93 1.0 1.00 0.02 0.02) = 0.206% HB3 LYS+ 81 - HG3 PRO 52 5.000% * 0.2008% (0.91 1.0 1.00 0.02 0.02) = 0.201% HB ILE 100 - HG3 PRO 52 5.000% * 0.1968% (0.89 1.0 1.00 0.02 0.02) = 0.197% HD3 LYS+ 55 - HG3 PRO 52 5.000% * 0.1346% (0.61 1.0 1.00 0.02 2.54) = 0.135% HG13 ILE 19 - HG3 PRO 52 5.000% * 0.1095% (0.49 1.0 1.00 0.02 0.02) = 0.109% HB3 MET 97 - HG2 PRO 59 5.000% * 0.0542% (0.24 1.0 1.00 0.02 0.02) = 0.054% HB3 LYS+ 81 - HG2 PRO 59 5.000% * 0.0528% (0.24 1.0 1.00 0.02 0.02) = 0.053% HG2 ARG+ 22 - HG3 PRO 52 5.000% * 0.0519% (0.23 1.0 1.00 0.02 0.02) = 0.052% HB ILE 100 - HG2 PRO 59 5.000% * 0.0517% (0.23 1.0 1.00 0.02 0.02) = 0.052% HB3 LYS+ 66 - HG2 PRO 59 5.000% * 0.0505% (0.23 1.0 1.00 0.02 0.28) = 0.050% HD3 LYS+ 55 - HG2 PRO 59 5.000% * 0.0354% (0.16 1.0 1.00 0.02 0.02) = 0.035% HG13 ILE 19 - HG2 PRO 59 5.000% * 0.0288% (0.13 1.0 1.00 0.02 0.02) = 0.029% HG2 ARG+ 22 - HG2 PRO 59 5.000% * 0.0136% (0.06 1.0 1.00 0.02 0.02) = 0.014% Peak 2572 (1.63, 1.28, 27.62 ppm): 10 chemical-shift based assignments, quality = 0.98, support = 3.91, residual support = 126.0: * O HG12 ILE 101 - HG13 ILE 101 10.000% * 97.7170% (1.00 10.0 4.00 128.96) = 97.717% kept HB3 PRO 52 - HG13 ILE 101 10.000% * 1.0753% (0.37 1.0 0.59 0.02) = 1.075% kept HG2 LYS+ 110 - HG13 ILE 101 10.000% * 0.6617% (0.53 1.0 0.26 0.77) = 0.662% HB ILE 68 - HG13 ILE 101 10.000% * 0.0975% (1.00 1.0 0.02 0.10) = 0.098% HB VAL 122 - HG13 ILE 101 10.000% * 0.0975% (1.00 1.0 0.02 0.02) = 0.098% HG LEU 43 - HG13 ILE 101 10.000% * 0.0975% (1.00 1.0 0.02 0.02) = 0.098% HG LEU 23 - HG13 ILE 101 10.000% * 0.0969% (0.99 1.0 0.02 0.51) = 0.097% HG3 LYS+ 78 - HG13 ILE 101 10.000% * 0.0848% (0.87 1.0 0.02 0.02) = 0.085% HG2 ARG+ 22 - HG13 ILE 101 10.000% * 0.0476% (0.49 1.0 0.02 3.69) = 0.048% HD3 LYS+ 32 - HG13 ILE 101 10.000% * 0.0244% (0.25 1.0 0.02 1.03) = 0.024% Peak 2573 (1.61, 0.91, 27.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2574 (1.50, 2.03, 27.52 ppm): 10 chemical-shift based assignments, quality = 0.607, support = 0.332, residual support = 0.0194: HG3 LYS+ 72 - HG2 PRO 116 10.000% * 32.1567% (0.63 0.37 0.02) = 32.157% kept HB2 LYS+ 72 - HG3 PRO 86 10.000% * 30.4322% (0.63 0.35 0.02) = 30.432% kept HG3 LYS+ 72 - HG3 PRO 86 10.000% * 29.0931% (0.60 0.36 0.02) = 29.093% kept HD3 LYS+ 108 - HG2 PRO 116 10.000% * 1.8677% (0.69 0.02 0.02) = 1.868% kept HB2 LYS+ 72 - HG2 PRO 116 10.000% * 1.8307% (0.67 0.02 0.02) = 1.831% kept HD3 LYS+ 108 - HG3 PRO 86 10.000% * 1.7638% (0.65 0.02 0.02) = 1.764% kept QB ALA 70 - HG2 PRO 116 10.000% * 0.7678% (0.28 0.02 0.02) = 0.768% QB ALA 70 - HG3 PRO 86 10.000% * 0.7251% (0.27 0.02 0.02) = 0.725% HB3 LYS+ 44 - HG2 PRO 116 10.000% * 0.7010% (0.26 0.02 0.02) = 0.701% HB3 LYS+ 44 - HG3 PRO 86 10.000% * 0.6620% (0.24 0.02 0.02) = 0.662% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 2575 (1.46, 1.68, 27.63 ppm): 18 chemical-shift based assignments, quality = 0.718, support = 5.06, residual support = 112.1: O T HG3 PRO 52 - HG2 PRO 52 5.556% * 93.7504% (0.76 10.0 10.00 5.38 119.56) = 93.750% kept HB3 LEU 67 - HG3 ARG+ 84 5.556% * 1.6385% (0.58 1.0 1.00 0.46 0.99) = 1.639% kept T HG2 PRO 59 - HG2 PRO 52 5.556% * 0.8712% (0.70 1.0 10.00 0.02 0.02) = 0.871% T HG3 LYS+ 60 - HG2 PRO 52 5.556% * 0.8712% (0.70 1.0 10.00 0.02 0.02) = 0.871% T HG3 PRO 52 - HG3 ARG+ 84 5.556% * 0.7501% (0.60 1.0 10.00 0.02 0.02) = 0.750% T HG2 PRO 59 - HG3 ARG+ 84 5.556% * 0.6971% (0.56 1.0 10.00 0.02 0.02) = 0.697% T HG3 LYS+ 60 - HG3 ARG+ 84 5.556% * 0.6971% (0.56 1.0 10.00 0.02 0.02) = 0.697% T HG3 LYS+ 113 - HG2 PRO 52 5.556% * 0.1499% (0.12 1.0 10.00 0.02 0.02) = 0.150% T HG3 LYS+ 113 - HG3 ARG+ 84 5.556% * 0.1199% (0.10 1.0 10.00 0.02 0.02) = 0.120% HG13 ILE 48 - HG2 PRO 52 5.556% * 0.0963% (0.78 1.0 1.00 0.02 0.02) = 0.096% HB3 LEU 67 - HG2 PRO 52 5.556% * 0.0897% (0.72 1.0 1.00 0.02 0.14) = 0.090% HG13 ILE 48 - HG3 ARG+ 84 5.556% * 0.0770% (0.62 1.0 1.00 0.02 0.02) = 0.077% HB3 LYS+ 44 - HG2 PRO 52 5.556% * 0.0399% (0.32 1.0 1.00 0.02 0.02) = 0.040% QB ALA 70 - HG2 PRO 52 5.556% * 0.0365% (0.29 1.0 1.00 0.02 0.02) = 0.036% HB3 LYS+ 44 - HG3 ARG+ 84 5.556% * 0.0320% (0.26 1.0 1.00 0.02 0.02) = 0.032% HG LEU 90 - HG2 PRO 52 5.556% * 0.0300% (0.24 1.0 1.00 0.02 2.38) = 0.030% QB ALA 70 - HG3 ARG+ 84 5.556% * 0.0292% (0.24 1.0 1.00 0.02 0.02) = 0.029% HG LEU 90 - HG3 ARG+ 84 5.556% * 0.0240% (0.19 1.0 1.00 0.02 0.02) = 0.024% Peak 2578 (1.17, 1.45, 27.52 ppm): 15 chemical-shift based assignments, quality = 0.46, support = 0.985, residual support = 6.59: O T HG3 PRO 59 - HG2 PRO 59 6.667% * 91.2007% (0.47 10.0 10.00 1.00 7.13) = 91.201% kept HB2 LEU 74 - HG2 PRO 59 6.667% * 4.5983% (0.36 1.0 1.00 1.31 1.54) = 4.598% kept HB2 LEU 74 - HG3 PRO 52 6.667% * 2.2118% (0.42 1.0 1.00 0.55 0.48) = 2.212% kept T HG3 PRO 59 - HG3 PRO 52 6.667% * 1.0556% (0.54 1.0 10.00 0.02 0.02) = 1.056% kept T HG3 PRO 59 - HG LEU 90 6.667% * 0.3313% (0.17 1.0 10.00 0.02 0.02) = 0.331% HB2 LEU 43 - HG3 PRO 52 6.667% * 0.1113% (0.57 1.0 1.00 0.02 0.02) = 0.111% QG2 THR 106 - HG3 PRO 52 6.667% * 0.1077% (0.55 1.0 1.00 0.02 0.02) = 0.108% HB2 LEU 43 - HG2 PRO 59 6.667% * 0.0962% (0.50 1.0 1.00 0.02 0.02) = 0.096% QG2 THR 106 - HG2 PRO 59 6.667% * 0.0930% (0.48 1.0 1.00 0.02 0.02) = 0.093% QB ALA 33 - HG3 PRO 52 6.667% * 0.0459% (0.24 1.0 1.00 0.02 0.02) = 0.046% QB ALA 33 - HG2 PRO 59 6.667% * 0.0396% (0.20 1.0 1.00 0.02 0.02) = 0.040% HB2 LEU 43 - HG LEU 90 6.667% * 0.0349% (0.18 1.0 1.00 0.02 0.02) = 0.035% QG2 THR 106 - HG LEU 90 6.667% * 0.0338% (0.17 1.0 1.00 0.02 0.02) = 0.034% HB2 LEU 74 - HG LEU 90 6.667% * 0.0254% (0.13 1.0 1.00 0.02 0.11) = 0.025% QB ALA 33 - HG LEU 90 6.667% * 0.0144% (0.07 1.0 1.00 0.02 0.02) = 0.014% Peak 2579 (0.92, 2.03, 27.57 ppm): 56 chemical-shift based assignments, quality = 0.319, support = 1.4, residual support = 6.35: HG3 LYS+ 117 - HG2 PRO 116 1.786% * 42.3199% (0.49 1.73 3.37) = 42.320% kept QG2 VAL 87 - HG3 PRO 86 1.786% * 24.1531% (0.20 2.46 20.31) = 24.153% kept HG3 LYS+ 117 - HG3 PRO 86 1.786% * 6.1725% (0.33 0.38 0.02) = 6.173% kept QG1 VAL 47 - HG3 PRO 86 1.786% * 5.2213% (0.24 0.44 0.02) = 5.221% kept QG2 VAL 73 - HG2 PRO 116 1.786% * 2.2473% (0.19 0.23 0.02) = 2.247% kept HG3 LYS+ 110 - HG3 PRO 86 1.786% * 2.1471% (0.56 0.08 0.02) = 2.147% kept QD1 LEU 67 - HG2 PRO 116 1.786% * 1.8119% (0.42 0.09 0.02) = 1.812% kept QG1 VAL 47 - HG2 PRO 116 1.786% * 1.6026% (0.36 0.09 0.02) = 1.603% kept QG2 VAL 73 - HG3 PRO 86 1.786% * 1.4357% (0.13 0.22 0.02) = 1.436% kept QG2 ILE 29 - HG2 PRO 112 1.786% * 1.1854% (0.02 1.26 0.85) = 1.185% kept QG2 VAL 80 - HG2 PRO 116 1.786% * 0.8621% (0.86 0.02 0.02) = 0.862% HG3 LYS+ 110 - HG2 PRO 116 1.786% * 0.8450% (0.85 0.02 0.02) = 0.845% HG12 ILE 68 - HG2 PRO 116 1.786% * 0.8155% (0.82 0.02 0.02) = 0.816% QG2 VAL 62 - HG2 PRO 112 1.786% * 0.7140% (0.03 0.49 0.10) = 0.714% QG2 VAL 73 - HG2 PRO 112 1.786% * 0.6848% (0.02 0.65 0.41) = 0.685% QG2 VAL 105 - HG2 PRO 116 1.786% * 0.6260% (0.63 0.02 0.02) = 0.626% QD1 LEU 17 - HG2 PRO 116 1.786% * 0.5922% (0.59 0.02 0.02) = 0.592% QG2 VAL 80 - HG3 PRO 86 1.786% * 0.5749% (0.58 0.02 0.02) = 0.575% QG1 VAL 105 - HG2 PRO 116 1.786% * 0.5577% (0.56 0.02 0.02) = 0.558% HG12 ILE 68 - HG3 PRO 86 1.786% * 0.5438% (0.55 0.02 0.02) = 0.544% QG1 VAL 47 - HG2 PRO 112 1.786% * 0.4322% (0.04 0.22 0.02) = 0.432% QG2 VAL 105 - HG3 PRO 86 1.786% * 0.4175% (0.42 0.02 0.02) = 0.417% QD1 LEU 17 - HG3 PRO 86 1.786% * 0.3949% (0.40 0.02 0.02) = 0.395% QG1 VAL 105 - HG3 PRO 86 1.786% * 0.3719% (0.37 0.02 0.02) = 0.372% QG2 VAL 87 - HG2 PRO 116 1.786% * 0.2941% (0.29 0.02 0.02) = 0.294% QG2 VAL 40 - HG2 PRO 116 1.786% * 0.2941% (0.29 0.02 0.02) = 0.294% QD1 LEU 67 - HG3 PRO 86 1.786% * 0.2798% (0.28 0.02 0.02) = 0.280% QG2 VAL 62 - HG2 PRO 116 1.786% * 0.2661% (0.27 0.02 0.02) = 0.266% QG2 VAL 40 - HG3 PRO 86 1.786% * 0.1961% (0.20 0.02 0.02) = 0.196% QG2 VAL 62 - HG3 PRO 86 1.786% * 0.1774% (0.18 0.02 0.02) = 0.177% QG2 ILE 29 - HG2 PRO 116 1.786% * 0.1706% (0.17 0.02 0.02) = 0.171% QG2 ILE 29 - HG3 PRO 86 1.786% * 0.1138% (0.11 0.02 0.02) = 0.114% QG2 VAL 80 - HG3 PRO 112 1.786% * 0.1069% (0.11 0.02 0.02) = 0.107% HG3 LYS+ 110 - HG3 PRO 112 1.786% * 0.1048% (0.11 0.02 0.02) = 0.105% HG12 ILE 68 - HG3 PRO 112 1.786% * 0.1011% (0.10 0.02 0.02) = 0.101% QG2 VAL 80 - HG2 PRO 112 1.786% * 0.0949% (0.10 0.02 0.02) = 0.095% HG3 LYS+ 110 - HG2 PRO 112 1.786% * 0.0931% (0.09 0.02 0.02) = 0.093% HG12 ILE 68 - HG2 PRO 112 1.786% * 0.0898% (0.09 0.02 0.02) = 0.090% QG2 VAL 105 - HG3 PRO 112 1.786% * 0.0776% (0.08 0.02 0.02) = 0.078% QD1 LEU 17 - HG3 PRO 112 1.786% * 0.0734% (0.07 0.02 0.02) = 0.073% QG1 VAL 105 - HG3 PRO 112 1.786% * 0.0692% (0.07 0.02 0.02) = 0.069% QG2 VAL 105 - HG2 PRO 112 1.786% * 0.0689% (0.07 0.02 0.02) = 0.069% QD1 LEU 17 - HG2 PRO 112 1.786% * 0.0652% (0.07 0.02 0.02) = 0.065% QG1 VAL 105 - HG2 PRO 112 1.786% * 0.0614% (0.06 0.02 0.02) = 0.061% HG3 LYS+ 117 - HG3 PRO 112 1.786% * 0.0605% (0.06 0.02 0.02) = 0.061% HG3 LYS+ 117 - HG2 PRO 112 1.786% * 0.0537% (0.05 0.02 0.02) = 0.054% QD1 LEU 67 - HG3 PRO 112 1.786% * 0.0520% (0.05 0.02 0.02) = 0.052% QD1 LEU 67 - HG2 PRO 112 1.786% * 0.0462% (0.05 0.02 0.02) = 0.046% QG1 VAL 47 - HG3 PRO 112 1.786% * 0.0440% (0.04 0.02 0.02) = 0.044% QG2 VAL 87 - HG3 PRO 112 1.786% * 0.0365% (0.04 0.02 0.02) = 0.036% QG2 VAL 40 - HG3 PRO 112 1.786% * 0.0365% (0.04 0.02 0.02) = 0.036% QG2 VAL 62 - HG3 PRO 112 1.786% * 0.0330% (0.03 0.02 0.10) = 0.033% QG2 VAL 40 - HG2 PRO 112 1.786% * 0.0324% (0.03 0.02 0.02) = 0.032% QG2 VAL 87 - HG2 PRO 112 1.786% * 0.0324% (0.03 0.02 0.02) = 0.032% QG2 VAL 73 - HG3 PRO 112 1.786% * 0.0238% (0.02 0.02 0.41) = 0.024% QG2 ILE 29 - HG3 PRO 112 1.786% * 0.0212% (0.02 0.02 0.85) = 0.021% Peak 2581 (0.82, 1.45, 27.71 ppm): 9 chemical-shift based assignments, quality = 0.455, support = 1.43, residual support = 3.03: T QD2 LEU 67 - HG3 PRO 52 11.111% * 30.8900% (0.47 10.00 0.35 0.14) = 30.890% kept QD2 LEU 17 - HG3 PRO 52 11.111% * 20.4150% (0.59 1.00 1.88 2.64) = 20.415% kept QG1 VAL 13 - HG3 PRO 52 11.111% * 17.9218% (0.40 1.00 2.40 8.43) = 17.922% kept QD1 ILE 29 - HG3 PRO 52 11.111% * 16.9392% (0.40 1.00 2.27 3.62) = 16.939% kept QG1 VAL 94 - HG3 PRO 52 11.111% * 6.4217% (0.54 1.00 0.64 0.02) = 6.422% kept QG2 VAL 13 - HG3 PRO 52 11.111% * 3.8139% (0.13 1.00 1.57 8.43) = 3.814% kept HG2 LYS+ 117 - HG3 PRO 52 11.111% * 3.3244% (0.26 1.00 0.68 0.02) = 3.324% kept QD2 LEU 90 - HG3 PRO 52 11.111% * 0.2134% (0.58 1.00 0.02 2.38) = 0.213% QD1 ILE 100 - HG3 PRO 52 11.111% * 0.0605% (0.16 1.00 0.02 0.02) = 0.061% Peak 2582 (0.84, 1.16, 27.48 ppm): 9 chemical-shift based assignments, quality = 0.469, support = 0.365, residual support = 0.118: QG1 VAL 13 - HG3 PRO 59 11.111% * 67.3961% (0.54 0.46 0.16) = 67.396% kept QD2 LEU 17 - HG3 PRO 59 11.111% * 18.0741% (0.22 0.30 0.02) = 18.074% kept HG2 LYS+ 117 - HG3 PRO 59 11.111% * 3.4539% (0.63 0.02 0.02) = 3.454% kept QG2 VAL 13 - HG3 PRO 59 11.111% * 3.4006% (0.62 0.02 0.16) = 3.401% kept QD1 ILE 29 - HG3 PRO 59 11.111% * 2.9432% (0.54 0.02 0.02) = 2.943% kept QG1 VAL 94 - HG3 PRO 59 11.111% * 1.9950% (0.37 0.02 0.02) = 1.995% kept QD1 LEU 90 - HG3 PRO 59 11.111% * 0.9797% (0.18 0.02 0.02) = 0.980% QG2 ILE 100 - HG3 PRO 59 11.111% * 0.8786% (0.16 0.02 0.02) = 0.879% QD2 LEU 90 - HG3 PRO 59 11.111% * 0.8786% (0.16 0.02 0.02) = 0.879% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 2583 (0.73, 1.27, 27.62 ppm): 10 chemical-shift based assignments, quality = 0.592, support = 5.06, residual support = 109.6: * O QG2 ILE 101 - HG13 ILE 101 10.000% * 84.7704% (0.56 10.0 5.86 128.96) = 84.770% kept QG2 VAL 65 - HG13 ILE 101 10.000% * 4.7451% (0.83 1.0 0.75 5.65) = 4.745% kept QG1 VAL 40 - HG13 ILE 101 10.000% * 3.6496% (0.89 1.0 0.54 0.59) = 3.650% kept HG LEU 74 - HG13 ILE 101 10.000% * 3.5315% (0.78 1.0 0.59 0.02) = 3.532% kept QG2 ILE 48 - HG13 ILE 101 10.000% * 2.9008% (0.64 1.0 0.60 0.14) = 2.901% kept QD1 ILE 68 - HG13 ILE 101 10.000% * 0.1323% (0.87 1.0 0.02 0.10) = 0.132% HG3 LYS+ 44 - HG13 ILE 101 10.000% * 0.0942% (0.62 1.0 0.02 0.02) = 0.094% HG3 LYS+ 66 - HG13 ILE 101 10.000% * 0.0942% (0.62 1.0 0.02 9.40) = 0.094% QG2 THR 96 - HG13 ILE 101 10.000% * 0.0514% (0.34 1.0 0.02 0.02) = 0.051% QG1 VAL 65 - HG13 ILE 101 10.000% * 0.0305% (0.20 1.0 0.02 5.65) = 0.031% Peak 2584 (0.72, 0.71, 27.66 ppm): 1 diagonal assignment: * HG LEU 74 - HG LEU 74 (0.94) kept Peak 2585 (0.56, 1.28, 27.59 ppm): 3 chemical-shift based assignments, quality = 0.983, support = 5.08, residual support = 128.9: * O T QD1 ILE 101 - HG13 ILE 101 33.333% * 99.9596% (0.98 10.0 10.00 5.08 128.96) = 99.960% kept QG2 VAL 122 - HG13 ILE 101 33.333% * 0.0250% (0.25 1.0 1.00 0.02 0.02) = 0.025% QD1 LEU 23 - HG13 ILE 101 33.333% * 0.0155% (0.15 1.0 1.00 0.02 0.51) = 0.015% Peak 2586 (0.46, 0.72, 27.61 ppm): 2 chemical-shift based assignments, quality = 0.989, support = 5.28, residual support = 159.0: * O QD2 LEU 74 - HG LEU 74 50.000% * 99.9429% (0.99 10.0 5.28 159.05) = 99.943% kept QD2 LEU 43 - HG LEU 74 50.000% * 0.0571% (0.57 1.0 0.02 1.31) = 0.057% Peak 2587 (-0.03, 0.71, 27.67 ppm): 1 chemical-shift based assignment, quality = 0.771, support = 5.46, residual support = 159.0: * O T QD1 LEU 74 - HG LEU 74 100.000% *100.0000% (0.77 10.0 10.00 5.46 159.05) = 100.000% kept Peak 2588 (8.45, 1.78, 27.37 ppm): 12 chemical-shift based assignments, quality = 0.632, support = 3.6, residual support = 25.7: * HN ARG+ 53 - HG3 ARG+ 53 8.333% * 66.2207% (0.64 4.90 38.79) = 66.221% kept HN CYS 123 - HG3 ARG+ 53 8.333% * 18.2027% (0.60 1.44 0.11) = 18.203% kept HN ARG+ 53 - HG2 ARG+ 84 8.333% * 7.7333% (0.41 0.90 0.02) = 7.733% kept HN LEU 74 - HG3 ARG+ 53 8.333% * 6.7649% (0.96 0.34 0.02) = 6.765% kept HN LEU 74 - HG2 ARG+ 84 8.333% * 0.2576% (0.61 0.02 0.02) = 0.258% HN GLU- 107 - HG3 ARG+ 53 8.333% * 0.2033% (0.48 0.02 0.02) = 0.203% HN CYS 123 - HG2 ARG+ 84 8.333% * 0.1619% (0.39 0.02 0.02) = 0.162% HN GLU- 107 - HG2 ARG+ 84 8.333% * 0.1299% (0.31 0.02 0.02) = 0.130% HN GLY 92 - HG3 ARG+ 53 8.333% * 0.1161% (0.28 0.02 0.02) = 0.116% HN LYS+ 117 - HG3 ARG+ 53 8.333% * 0.0826% (0.20 0.02 0.02) = 0.083% HN GLY 92 - HG2 ARG+ 84 8.333% * 0.0742% (0.18 0.02 0.02) = 0.074% HN LYS+ 117 - HG2 ARG+ 84 8.333% * 0.0528% (0.13 0.02 0.02) = 0.053% Peak 2589 (4.30, 1.63, 27.21 ppm): 12 chemical-shift based assignments, quality = 0.0264, support = 2.7, residual support = 59.5: O HA ARG+ 84 - HG3 ARG+ 84 8.333% * 75.5807% (0.02 10.0 3.25 78.16) = 75.581% kept HA VAL 122 - HG3 ARG+ 84 8.333% * 9.0921% (0.04 1.0 1.34 1.53) = 9.092% kept HA SER 85 - HG3 ARG+ 84 8.333% * 5.8684% (0.02 1.0 1.55 5.63) = 5.868% kept HA CYS 121 - HG3 ARG+ 84 8.333% * 4.4540% (0.07 1.0 0.34 0.02) = 4.454% kept HB3 CYS 121 - HG3 ARG+ 84 8.333% * 3.7286% (0.06 1.0 0.34 0.02) = 3.729% kept HA ASP- 36 - HG3 ARG+ 84 8.333% * 0.3004% (0.08 1.0 0.02 0.02) = 0.300% HA THR 106 - HG3 ARG+ 84 8.333% * 0.2532% (0.07 1.0 0.02 0.02) = 0.253% HA ILE 29 - HG3 ARG+ 84 8.333% * 0.2316% (0.07 1.0 0.02 0.02) = 0.232% HA ALA 93 - HG3 ARG+ 84 8.333% * 0.1716% (0.05 1.0 0.02 0.02) = 0.172% HA LEU 90 - HG3 ARG+ 84 8.333% * 0.1595% (0.04 1.0 0.02 0.02) = 0.159% HA VAL 94 - HG3 ARG+ 84 8.333% * 0.0843% (0.02 1.0 0.02 0.02) = 0.084% HA PRO 52 - HG3 ARG+ 84 8.333% * 0.0756% (0.02 1.0 0.02 0.02) = 0.076% Peak 2590 (4.13, 1.78, 27.34 ppm): 14 chemical-shift based assignments, quality = 0.9, support = 3.78, residual support = 37.6: * O HA ARG+ 53 - HG3 ARG+ 53 7.143% * 97.0559% (0.92 10.0 3.88 38.79) = 97.056% kept HA ARG+ 53 - HG2 ARG+ 84 7.143% * 2.2203% (0.52 1.0 0.80 0.02) = 2.220% kept HA LYS+ 110 - HG3 ARG+ 53 7.143% * 0.1017% (0.96 1.0 0.02 0.02) = 0.102% HB3 SER 49 - HG3 ARG+ 53 7.143% * 0.1001% (0.94 1.0 0.02 0.02) = 0.100% HA2 GLY 71 - HG3 ARG+ 53 7.143% * 0.0990% (0.93 1.0 0.02 0.02) = 0.099% HB2 SER 88 - HG3 ARG+ 53 7.143% * 0.0822% (0.77 1.0 0.02 0.02) = 0.082% HA LYS+ 110 - HG2 ARG+ 84 7.143% * 0.0583% (0.55 1.0 0.02 0.02) = 0.058% HB3 SER 49 - HG2 ARG+ 84 7.143% * 0.0574% (0.54 1.0 0.02 0.02) = 0.057% HA2 GLY 71 - HG2 ARG+ 84 7.143% * 0.0567% (0.54 1.0 0.02 0.02) = 0.057% HB2 SER 88 - HG2 ARG+ 84 7.143% * 0.0471% (0.44 1.0 0.02 0.02) = 0.047% HA VAL 87 - HG3 ARG+ 53 7.143% * 0.0422% (0.40 1.0 0.02 0.02) = 0.042% HA THR 46 - HG3 ARG+ 53 7.143% * 0.0350% (0.33 1.0 0.02 0.02) = 0.035% HA VAL 87 - HG2 ARG+ 84 7.143% * 0.0242% (0.23 1.0 0.02 0.02) = 0.024% HA THR 46 - HG2 ARG+ 84 7.143% * 0.0201% (0.19 1.0 0.02 0.02) = 0.020% Peak 2591 (3.28, 1.78, 27.41 ppm): 8 chemical-shift based assignments, quality = 0.873, support = 1.72, residual support = 32.5: * O T HD3 ARG+ 53 - HG3 ARG+ 53 12.500% * 78.4948% (0.93 10.0 10.00 1.79 38.79) = 78.495% kept HD2 PRO 52 - HG3 ARG+ 53 12.500% * 8.9665% (0.68 1.0 1.00 3.14 23.27) = 8.966% kept T HD3 ARG+ 53 - HG2 ARG+ 84 12.500% * 8.9215% (0.75 1.0 10.00 0.28 0.02) = 8.921% kept HD3 ARG+ 22 - HG3 ARG+ 53 12.500% * 1.6662% (0.75 1.0 1.00 0.53 0.02) = 1.666% kept T HE3 LYS+ 63 - HG3 ARG+ 53 12.500% * 0.7262% (0.86 1.0 10.00 0.02 0.02) = 0.726% HD2 PRO 52 - HG2 ARG+ 84 12.500% * 0.5939% (0.54 1.0 1.00 0.26 0.02) = 0.594% T HE3 LYS+ 63 - HG2 ARG+ 84 12.500% * 0.5807% (0.69 1.0 10.00 0.02 0.02) = 0.581% HD3 ARG+ 22 - HG2 ARG+ 84 12.500% * 0.0504% (0.60 1.0 1.00 0.02 0.02) = 0.050% Peak 2593 (1.98, 4.35, 68.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2602 (1.78, 1.78, 27.39 ppm): 2 diagonal assignments: * HG3 ARG+ 53 - HG3 ARG+ 53 (0.96) kept HG2 ARG+ 84 - HG2 ARG+ 84 (0.65) kept Peak 2604 (1.45, 1.45, 27.27 ppm): 3 diagonal assignments: * HG2 PRO 59 - HG2 PRO 59 (0.84) kept HG LEU 90 - HG LEU 90 (0.65) kept HG3 PRO 52 - HG3 PRO 52 (0.06) kept Peak 2605 (1.45, 1.16, 27.45 ppm): 13 chemical-shift based assignments, quality = 0.66, support = 1.09, residual support = 9.01: * O T HG2 PRO 59 - HG3 PRO 59 7.692% * 57.5426% (0.67 10.0 10.00 1.00 7.13) = 57.543% kept T HG3 LYS+ 60 - HG3 PRO 59 7.692% * 38.0946% (0.67 1.0 10.00 1.32 12.86) = 38.095% kept T HG3 LYS+ 113 - HG3 PRO 59 7.692% * 3.2847% (0.46 1.0 10.00 0.17 0.02) = 3.285% kept T HG LEU 90 - HG3 PRO 59 7.692% * 0.5359% (0.63 1.0 10.00 0.02 0.02) = 0.536% T HG3 PRO 52 - HG3 PRO 59 7.692% * 0.3123% (0.37 1.0 10.00 0.02 0.02) = 0.312% HG13 ILE 48 - HG3 PRO 59 7.692% * 0.0466% (0.55 1.0 1.00 0.02 0.02) = 0.047% HG3 ARG+ 22 - HG3 PRO 59 7.692% * 0.0338% (0.40 1.0 1.00 0.02 0.02) = 0.034% HG3 LYS+ 55 - HG3 PRO 59 7.692% * 0.0338% (0.40 1.0 1.00 0.02 0.02) = 0.034% HD3 LYS+ 113 - HG3 PRO 59 7.692% * 0.0312% (0.37 1.0 1.00 0.02 0.02) = 0.031% HB3 LEU 67 - HG3 PRO 59 7.692% * 0.0264% (0.31 1.0 1.00 0.02 0.80) = 0.026% QG2 THR 38 - HG3 PRO 59 7.692% * 0.0241% (0.28 1.0 1.00 0.02 0.02) = 0.024% QB ALA 91 - HG3 PRO 59 7.692% * 0.0198% (0.23 1.0 1.00 0.02 0.02) = 0.020% HD3 LYS+ 44 - HG3 PRO 59 7.692% * 0.0143% (0.17 1.0 1.00 0.02 0.02) = 0.014% Peak 2611 (1.16, 1.15, 27.44 ppm): 1 diagonal assignment: * HG3 PRO 59 - HG3 PRO 59 (0.66) kept Peak 2614 (0.90, 0.92, 27.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2617 (4.32, 1.57, 27.07 ppm): 6 chemical-shift based assignments, quality = 0.762, support = 3.4, residual support = 14.7: HA ILE 29 - HG LEU 17 16.667% * 85.8942% (0.84 3.87 17.13) = 85.894% kept HA ASP- 36 - HG LEU 17 16.667% * 7.0797% (0.41 0.66 0.02) = 7.080% kept HA CYS 121 - HG LEU 17 16.667% * 3.0692% (0.23 0.51 0.02) = 3.069% kept HB3 CYS 121 - HG LEU 17 16.667% * 1.8394% (0.14 0.50 0.02) = 1.839% kept HA THR 106 - HG LEU 17 16.667% * 1.6378% (0.20 0.31 0.02) = 1.638% kept HA ALA 93 - HG LEU 17 16.667% * 0.4798% (0.91 0.02 0.23) = 0.480% Reference assignment not found: HA ILE 29 - HG12 ILE 29 Peak 2618 (4.32, 0.99, 26.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HA ILE 29 - HG13 ILE 29 Peak unassigned. Peak 2622 (1.61, 1.61, 27.12 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2630 (0.97, 1.56, 27.04 ppm): 4 chemical-shift based assignments, quality = 0.393, support = 4.36, residual support = 16.4: T QG2 ILE 29 - HG LEU 17 25.000% * 95.9253% (0.38 10.00 4.53 17.13) = 95.925% kept QG2 VAL 99 - HG LEU 17 25.000% * 3.7140% (0.71 1.00 0.42 0.32) = 3.714% kept QG2 VAL 62 - HG LEU 17 25.000% * 0.2728% (0.26 1.00 0.08 0.02) = 0.273% QG2 VAL 73 - HG LEU 17 25.000% * 0.0880% (0.35 1.00 0.02 0.02) = 0.088% Peak 2633 (0.84, 1.56, 27.04 ppm): 9 chemical-shift based assignments, quality = 0.676, support = 2.65, residual support = 36.7: T QD1 ILE 29 - HG LEU 17 11.111% * 66.0859% (0.82 1.0 10.00 2.02 17.13) = 66.086% kept * O T QD2 LEU 17 - HG LEU 17 11.111% * 28.5935% (0.35 10.0 10.00 4.58 88.51) = 28.593% kept T QG1 VAL 13 - HG LEU 17 11.111% * 3.4854% (0.82 1.0 10.00 0.11 0.02) = 3.485% kept QG1 VAL 94 - HG LEU 17 11.111% * 1.1910% (0.57 1.0 1.00 0.52 7.19) = 1.191% kept HG2 LYS+ 117 - HG LEU 17 11.111% * 0.3244% (0.93 1.0 1.00 0.09 0.02) = 0.324% T QD2 LEU 90 - HG LEU 17 11.111% * 0.2118% (0.26 1.0 10.00 0.02 0.17) = 0.212% QG2 VAL 13 - HG LEU 17 11.111% * 0.0721% (0.89 1.0 1.00 0.02 0.02) = 0.072% QD1 LEU 90 - HG LEU 17 11.111% * 0.0190% (0.23 1.0 1.00 0.02 0.17) = 0.019% QG2 ILE 100 - HG LEU 17 11.111% * 0.0170% (0.21 1.0 1.00 0.02 0.02) = 0.017% Peak 2635 (4.56, 1.37, 26.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2636 (2.90, 1.65, 26.73 ppm): 5 chemical-shift based assignments, quality = 0.13, support = 3.2, residual support = 7.83: T HB2 HIS+ 98 - HG2 ARG+ 22 20.000% * 89.5330% (0.13 10.00 3.47 8.68) = 89.533% kept HE3 LYS+ 81 - HG2 ARG+ 22 20.000% * 5.8926% (0.14 1.00 1.18 0.02) = 5.893% kept HB3 ASN 57 - HG2 ARG+ 22 20.000% * 3.7354% (0.14 1.00 0.75 1.50) = 3.735% kept HB2 CYS 121 - HG2 ARG+ 22 20.000% * 0.4552% (0.08 1.00 0.16 0.02) = 0.455% HE3 LYS+ 60 - HG2 ARG+ 22 20.000% * 0.3838% (0.06 1.00 0.17 0.02) = 0.384% Peak 2637 (2.90, 1.38, 26.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2638 (2.17, 1.64, 26.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2639 (2.18, 1.38, 26.66 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2640 (1.63, 1.38, 26.69 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2641 (1.40, 1.65, 26.75 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HG3 ARG+ 53 - HG3 ARG+ 53 Peak unassigned. Peak 2642 (0.84, 0.81, 26.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2643 (4.11, 4.11, 67.75 ppm): 1 diagonal assignment: * HA THR 46 - HA THR 46 (0.92) kept Peak 2644 (3.46, 3.45, 67.59 ppm): 1 diagonal assignment: * HA VAL 80 - HA VAL 80 (0.98) kept Peak 2645 (2.28, 3.45, 67.62 ppm): 10 chemical-shift based assignments, quality = 0.79, support = 2.58, residual support = 18.9: * O T HB VAL 80 - HA VAL 80 10.000% * 73.6556% (0.78 10.0 10.00 3.30 25.63) = 73.656% kept T HB2 LYS+ 44 - HA VAL 80 10.000% * 25.0797% (0.87 1.0 10.00 0.61 0.12) = 25.080% kept T HB3 PRO 112 - HA VAL 80 10.000% * 0.8897% (0.94 1.0 10.00 0.02 0.02) = 0.890% HG2 PRO 112 - HA VAL 80 10.000% * 0.0883% (0.93 1.0 1.00 0.02 0.02) = 0.088% HB3 LYS+ 117 - HA VAL 80 10.000% * 0.0798% (0.84 1.0 1.00 0.02 0.10) = 0.080% HG3 GLU- 75 - HA VAL 80 10.000% * 0.0798% (0.84 1.0 1.00 0.02 0.02) = 0.080% HG3 GLU- 54 - HA VAL 80 10.000% * 0.0412% (0.43 1.0 1.00 0.02 0.02) = 0.041% HG3 GLU- 107 - HA VAL 80 10.000% * 0.0345% (0.36 1.0 1.00 0.02 0.02) = 0.035% HB3 PRO 116 - HA VAL 80 10.000% * 0.0284% (0.30 1.0 1.00 0.02 0.02) = 0.028% HG2 GLU- 64 - HA VAL 80 10.000% * 0.0229% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 2647 (1.44, 0.86, 26.29 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2648 (1.32, 4.11, 67.63 ppm): 4 chemical-shift based assignments, quality = 0.94, support = 2.87, residual support = 25.1: * O T QG2 THR 46 - HA THR 46 25.000% * 99.1568% (0.95 10.0 10.00 2.89 25.30) = 99.157% kept QB ALA 103 - HA THR 46 25.000% * 0.7293% (0.50 1.0 1.00 0.28 0.31) = 0.729% HB2 ARG+ 22 - HA THR 46 25.000% * 0.0862% (0.82 1.0 1.00 0.02 0.02) = 0.086% HB2 LYS+ 55 - HA THR 46 25.000% * 0.0276% (0.26 1.0 1.00 0.02 0.02) = 0.028% Peak 2651 (8.88, 0.91, 26.07 ppm): 3 chemical-shift based assignments, quality = 0.514, support = 4.16, residual support = 27.1: * HN ILE 68 - QD1 LEU 67 33.333% * 77.1643% (0.39 5.20 34.91) = 77.164% kept HN ASP- 36 - QD1 LEU 67 33.333% * 22.5895% (0.94 0.64 0.59) = 22.590% kept HN GLN 102 - QD1 LEU 67 33.333% * 0.2462% (0.33 0.02 0.02) = 0.246% Peak 2652 (7.33, 3.08, 67.44 ppm): 6 chemical-shift based assignments, quality = 0.789, support = 4.68, residual support = 68.1: * O HN VAL 47 - HA VAL 47 16.667% * 84.8425% (0.78 10.0 5.34 79.67) = 84.843% kept QD PHE 34 - HA VAL 47 16.667% * 5.7807% (0.83 1.0 1.28 2.97) = 5.781% kept QE PHE 34 - HA VAL 47 16.667% * 4.6431% (0.83 1.0 1.03 2.97) = 4.643% kept HZ2 TRP 51 - HA VAL 47 16.667% * 3.1112% (0.83 1.0 0.69 3.62) = 3.111% kept HZ PHE 34 - HA VAL 47 16.667% * 1.5407% (0.83 1.0 0.34 2.97) = 1.541% kept HN ARG+ 84 - HA VAL 47 16.667% * 0.0817% (0.75 1.0 0.02 0.02) = 0.082% Peak 2653 (7.05, 0.91, 26.07 ppm): 2 chemical-shift based assignments, quality = 0.851, support = 1.49, residual support = 3.54: * QE PHE 21 - QD1 LEU 67 50.000% * 79.7484% (0.88 1.74 4.28) = 79.748% kept QD TYR 83 - QD1 LEU 67 50.000% * 20.2516% (0.74 0.52 0.61) = 20.252% kept Peak 2654 (6.89, 0.91, 26.06 ppm): 3 chemical-shift based assignments, quality = 0.8, support = 1.44, residual support = 3.01: * QD PHE 21 - QD1 LEU 67 33.333% * 69.5760% (0.77 1.89 4.28) = 69.576% kept HD22 ASN 15 - QD1 LEU 67 33.333% * 21.9144% (0.97 0.48 0.14) = 21.914% kept HD21 ASN 119 - QD1 LEU 67 33.333% * 8.5096% (0.59 0.30 0.02) = 8.510% kept Peak 2655 (5.57, 0.90, 26.07 ppm): 1 chemical-shift based assignment, quality = 0.927, support = 6.96, residual support = 115.0: * T HA LEU 67 - QD1 LEU 67 100.000% *100.0000% (0.93 10.00 6.96 115.02) = 100.000% kept Peak 2656 (4.71, 0.91, 26.04 ppm): 6 chemical-shift based assignments, quality = 0.878, support = 0.552, residual support = 0.196: * HA VAL 99 - QD1 LEU 67 16.667% * 43.1567% (0.95 0.75 0.43) = 43.157% kept HA GLN 16 - QD1 LEU 67 16.667% * 27.2286% (0.85 0.53 0.02) = 27.229% kept HA LYS+ 20 - QD1 LEU 67 16.667% * 14.9205% (0.64 0.39 0.02) = 14.920% kept HA THR 39 - QD1 LEU 67 16.667% * 12.4009% (0.95 0.22 0.02) = 12.401% kept HA THR 61 - QD1 LEU 67 16.667% * 1.1925% (0.99 0.02 0.02) = 1.192% kept HA2 GLY 30 - QD1 LEU 67 16.667% * 1.1008% (0.91 0.02 0.02) = 1.101% kept Peak 2657 (3.09, 3.08, 67.42 ppm): 1 diagonal assignment: * HA VAL 47 - HA VAL 47 (0.87) kept Peak 2661 (1.42, 0.91, 25.91 ppm): 13 chemical-shift based assignments, quality = 0.467, support = 3.07, residual support = 86.3: * O HG LEU 67 - QD1 LEU 67 7.692% * 74.7132% (0.38 10.0 3.86 115.02) = 74.713% kept HD3 LYS+ 44 - QD1 LEU 67 7.692% * 7.2898% (0.84 1.0 0.89 0.80) = 7.290% kept QG2 THR 38 - QD1 LEU 67 7.692% * 5.9339% (0.85 1.0 0.72 0.10) = 5.934% kept HG3 ARG+ 22 - QD1 LEU 67 7.692% * 5.4650% (0.79 1.0 0.71 0.32) = 5.465% kept HG13 ILE 100 - QD1 LEU 67 7.692% * 3.1835% (0.35 1.0 0.93 8.65) = 3.184% kept QB ALA 37 - QD1 LEU 67 7.692% * 2.5900% (0.55 1.0 0.48 0.02) = 2.590% kept QB ALA 91 - QD1 LEU 67 7.692% * 0.1666% (0.86 1.0 0.02 0.02) = 0.167% HD3 LYS+ 113 - QD1 LEU 67 7.692% * 0.1576% (0.81 1.0 0.02 0.02) = 0.158% HG3 LYS+ 55 - QD1 LEU 67 7.692% * 0.1538% (0.79 1.0 0.02 0.02) = 0.154% HG3 LYS+ 113 - QD1 LEU 67 7.692% * 0.1446% (0.74 1.0 0.02 0.02) = 0.145% HG LEU 90 - QD1 LEU 67 7.692% * 0.1078% (0.55 1.0 0.02 0.02) = 0.108% QB ALA 93 - QD1 LEU 67 7.692% * 0.0685% (0.35 1.0 0.02 0.02) = 0.069% HD3 LYS+ 20 - QD1 LEU 67 7.692% * 0.0257% (0.13 1.0 0.02 0.02) = 0.026% Peak 2662 (1.20, 0.91, 26.03 ppm): 5 chemical-shift based assignments, quality = 0.501, support = 5.8, residual support = 102.6: * O HB2 LEU 67 - QD1 LEU 67 20.000% * 87.8764% (0.52 10.0 6.31 115.02) = 87.876% kept HB2 LEU 74 - QD1 LEU 67 20.000% * 8.6276% (0.38 1.0 2.66 17.19) = 8.628% kept HB3 ARG+ 22 - QD1 LEU 67 20.000% * 2.3076% (0.38 1.0 0.71 0.32) = 2.308% kept QG2 THR 106 - QD1 LEU 67 20.000% * 1.1597% (0.17 1.0 0.81 0.02) = 1.160% kept HG12 ILE 100 - QD1 LEU 67 20.000% * 0.0287% (0.17 1.0 0.02 8.65) = 0.029% Peak 2664 (0.89, 3.08, 67.43 ppm): 9 chemical-shift based assignments, quality = 0.63, support = 3.6, residual support = 71.5: * O QG1 VAL 47 - HA VAL 47 11.111% * 89.7277% (0.62 10.0 3.93 79.67) = 89.728% kept QD1 LEU 67 - HA VAL 47 11.111% * 4.2233% (0.55 1.0 1.07 0.46) = 4.223% kept QG1 VAL 80 - HA VAL 47 11.111% * 3.9515% (0.90 1.0 0.61 0.02) = 3.951% kept QG2 VAL 125 - HA VAL 47 11.111% * 1.7526% (0.81 1.0 0.30 0.02) = 1.753% kept QG2 VAL 87 - HA VAL 47 11.111% * 0.0998% (0.69 1.0 0.02 0.02) = 0.100% QG2 VAL 40 - HA VAL 47 11.111% * 0.0998% (0.69 1.0 0.02 0.02) = 0.100% HG3 LYS+ 117 - HA VAL 47 11.111% * 0.0687% (0.48 1.0 0.02 0.02) = 0.069% QG2 ILE 100 - HA VAL 47 11.111% * 0.0403% (0.28 1.0 0.02 0.02) = 0.040% QD1 LEU 90 - HA VAL 47 11.111% * 0.0363% (0.25 1.0 0.02 0.02) = 0.036% Peak 2665 (0.11, 3.08, 67.44 ppm): 1 chemical-shift based assignment, quality = 0.725, support = 3.24, residual support = 79.7: * O T QG2 VAL 47 - HA VAL 47 100.000% *100.0000% (0.72 10.0 10.00 3.24 79.67) = 100.000% kept Peak 2666 (0.11, 0.91, 26.02 ppm): 1 chemical-shift based assignment, quality = 0.857, support = 0.456, residual support = 0.456: T QG2 VAL 47 - QD1 LEU 67 100.000% *100.0000% (0.86 10.00 0.46 0.46) = 100.000% kept Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 2667 (8.82, 0.45, 25.58 ppm): 6 chemical-shift based assignments, quality = 0.791, support = 0.852, residual support = 0.812: HN LYS+ 60 - QD2 LEU 74 16.667% * 42.5912% (0.79 1.06 1.30) = 42.591% kept HN LYS+ 32 - QD2 LEU 74 16.667% * 29.6229% (0.82 0.72 0.57) = 29.623% kept HN ASN 57 - QD2 LEU 74 16.667% * 27.0222% (0.78 0.69 0.34) = 27.022% kept HN LYS+ 32 - QD2 LEU 43 16.667% * 0.2608% (0.26 0.02 0.02) = 0.261% HN LYS+ 60 - QD2 LEU 43 16.667% * 0.2540% (0.25 0.02 0.02) = 0.254% HN ASN 57 - QD2 LEU 43 16.667% * 0.2489% (0.25 0.02 0.02) = 0.249% Reference assignment not found: HN SER 69 - QD2 LEU 74 Peak 2668 (8.47, 0.45, 25.58 ppm): 12 chemical-shift based assignments, quality = 0.61, support = 3.83, residual support = 99.1: * HN LEU 74 - QD2 LEU 74 8.333% * 62.2067% (0.52 5.66 159.05) = 62.207% kept HN GLU- 107 - QD2 LEU 74 8.333% * 18.2103% (0.85 1.01 0.72) = 18.210% kept HN GLY 92 - QD2 LEU 74 8.333% * 12.0385% (0.81 0.70 0.25) = 12.039% kept HN LYS+ 113 - QD2 LEU 74 8.333% * 6.7185% (0.55 0.57 0.02) = 6.718% kept HN GLU- 18 - QD2 LEU 74 8.333% * 0.1906% (0.45 0.02 0.02) = 0.191% HN GLU- 107 - QD2 LEU 43 8.333% * 0.1257% (0.30 0.02 0.02) = 0.126% HN GLU- 10 - QD2 LEU 74 8.333% * 0.1236% (0.29 0.02 0.02) = 0.124% HN GLY 92 - QD2 LEU 43 8.333% * 0.1191% (0.28 0.02 0.02) = 0.119% HN LYS+ 113 - QD2 LEU 43 8.333% * 0.0815% (0.19 0.02 0.02) = 0.081% HN LEU 74 - QD2 LEU 43 8.333% * 0.0764% (0.18 0.02 1.31) = 0.076% HN GLU- 18 - QD2 LEU 43 8.333% * 0.0663% (0.16 0.02 0.02) = 0.066% HN GLU- 10 - QD2 LEU 43 8.333% * 0.0430% (0.10 0.02 0.02) = 0.043% Peak 2669 (7.99, 1.62, 25.69 ppm): 4 chemical-shift based assignments, quality = 0.811, support = 5.76, residual support = 158.4: * HN LEU 43 - HG LEU 43 25.000% * 88.0207% (0.81 6.44 179.96) = 88.021% kept HN MET 126 - HG LEU 43 25.000% * 11.2002% (0.85 0.79 0.28) = 11.200% kept HN LYS+ 111 - HG LEU 43 25.000% * 0.6445% (0.40 0.10 0.02) = 0.645% HN SER 27 - HG LEU 43 25.000% * 0.1345% (0.40 0.02 0.02) = 0.135% Peak 2670 (7.98, 0.48, 25.65 ppm): 8 chemical-shift based assignments, quality = 0.35, support = 5.66, residual support = 150.0: * HN LEU 43 - QD2 LEU 43 12.500% * 83.2749% (0.36 6.67 179.96) = 83.275% kept HN LEU 43 - QD2 LEU 74 12.500% * 8.5762% (0.41 0.60 1.31) = 8.576% kept HN MET 126 - QD2 LEU 43 12.500% * 5.9098% (0.20 0.83 0.28) = 5.910% kept HN MET 126 - QD2 LEU 74 12.500% * 1.4819% (0.23 0.18 0.02) = 1.482% kept HN SER 27 - QD2 LEU 74 12.500% * 0.6193% (0.07 0.25 0.02) = 0.619% HN LYS+ 111 - QD2 LEU 74 12.500% * 0.0501% (0.07 0.02 0.02) = 0.050% HN SER 27 - QD2 LEU 43 12.500% * 0.0438% (0.06 0.02 0.02) = 0.044% HN LYS+ 111 - QD2 LEU 43 12.500% * 0.0438% (0.06 0.02 0.02) = 0.044% Peak 2672 (3.72, 0.45, 25.58 ppm): 8 chemical-shift based assignments, quality = 0.633, support = 3.24, residual support = 36.3: * T HB3 SER 69 - QD2 LEU 74 12.500% * 75.4901% (0.76 10.00 3.72 41.97) = 75.490% kept T HB3 SER 69 - QD2 LEU 43 12.500% * 19.2815% (0.26 10.00 1.49 1.67) = 19.282% kept HA LEU 43 - QD2 LEU 43 12.500% * 2.3487% (0.09 1.00 5.26 179.96) = 2.349% kept HA LEU 43 - QD2 LEU 74 12.500% * 1.5042% (0.26 1.00 1.16 1.31) = 1.504% kept HA LYS+ 81 - QD2 LEU 74 12.500% * 1.2927% (0.54 1.00 0.47 0.30) = 1.293% kept HB2 TRP 51 - QD2 LEU 74 12.500% * 0.0477% (0.48 1.00 0.02 0.23) = 0.048% HA LYS+ 81 - QD2 LEU 43 12.500% * 0.0187% (0.19 1.00 0.02 0.02) = 0.019% HB2 TRP 51 - QD2 LEU 43 12.500% * 0.0164% (0.16 1.00 0.02 0.18) = 0.016% Peak 2673 (3.45, 0.48, 25.58 ppm): 12 chemical-shift based assignments, quality = 0.478, support = 1.8, residual support = 3.28: * HA VAL 40 - QD2 LEU 43 8.333% * 28.0697% (0.56 2.35 4.76) = 28.070% kept HA VAL 80 - QD2 LEU 43 8.333% * 22.1158% (0.56 1.86 4.17) = 22.116% kept HA VAL 62 - QD2 LEU 43 8.333% * 19.1103% (0.43 2.09 3.21) = 19.110% kept HD3 PRO 31 - QD2 LEU 43 8.333% * 12.4658% (0.45 1.30 2.32) = 12.466% kept HA ILE 48 - QD2 LEU 43 8.333% * 6.9446% (0.23 1.41 1.60) = 6.945% kept HA1 GLY 71 - QD2 LEU 43 8.333% * 6.4580% (0.36 0.83 0.14) = 6.458% kept HD3 PRO 31 - QD2 LEU 74 8.333% * 3.8947% (0.47 0.39 0.02) = 3.895% kept HA VAL 40 - QD2 LEU 74 8.333% * 0.2464% (0.58 0.02 11.48) = 0.246% HA VAL 80 - QD2 LEU 74 8.333% * 0.2448% (0.58 0.02 0.02) = 0.245% HA VAL 62 - QD2 LEU 74 8.333% * 0.1887% (0.44 0.02 0.02) = 0.189% HA1 GLY 71 - QD2 LEU 74 8.333% * 0.1598% (0.38 0.02 0.02) = 0.160% HA ILE 48 - QD2 LEU 74 8.333% * 0.1015% (0.24 0.02 0.02) = 0.102% Peak 2674 (2.11, 0.48, 25.60 ppm): 26 chemical-shift based assignments, quality = 0.473, support = 3.66, residual support = 107.4: * O T HB3 LEU 43 - QD2 LEU 43 3.846% * 58.1919% (0.49 10.0 10.00 5.30 179.96) = 58.192% kept T HB3 LEU 43 - QD2 LEU 74 3.846% * 28.1474% (0.46 1.0 10.00 1.02 1.31) = 28.147% kept HB3 GLU- 75 - QD2 LEU 74 3.846% * 8.0918% (0.45 1.0 1.00 3.01 27.89) = 8.092% kept HG2 PRO 112 - QD2 LEU 74 3.846% * 2.8397% (0.41 1.0 1.00 1.17 0.48) = 2.840% kept HB3 GLU- 75 - QD2 LEU 43 3.846% * 2.0397% (0.47 1.0 1.00 0.72 0.02) = 2.040% kept HB VAL 87 - QD2 LEU 43 3.846% * 0.0582% (0.49 1.0 1.00 0.02 0.02) = 0.058% HB2 GLU- 56 - QD2 LEU 43 3.846% * 0.0573% (0.48 1.0 1.00 0.02 0.02) = 0.057% HB VAL 87 - QD2 LEU 74 3.846% * 0.0553% (0.46 1.0 1.00 0.02 0.02) = 0.055% HB2 GLU- 56 - QD2 LEU 74 3.846% * 0.0545% (0.46 1.0 1.00 0.02 0.02) = 0.054% HG2 PRO 112 - QD2 LEU 43 3.846% * 0.0512% (0.43 1.0 1.00 0.02 0.02) = 0.051% HB VAL 105 - QD2 LEU 43 3.846% * 0.0475% (0.40 1.0 1.00 0.02 0.02) = 0.048% HB VAL 105 - QD2 LEU 74 3.846% * 0.0452% (0.38 1.0 1.00 0.02 0.02) = 0.045% HB VAL 65 - QD2 LEU 43 3.846% * 0.0384% (0.32 1.0 1.00 0.02 0.02) = 0.038% HB VAL 65 - QD2 LEU 74 3.846% * 0.0365% (0.31 1.0 1.00 0.02 0.02) = 0.037% HG2 GLU- 45 - QD2 LEU 43 3.846% * 0.0360% (0.30 1.0 1.00 0.02 0.02) = 0.036% HG2 GLU- 45 - QD2 LEU 74 3.846% * 0.0342% (0.29 1.0 1.00 0.02 0.02) = 0.034% HB2 MET 118 - QD2 LEU 43 3.846% * 0.0266% (0.22 1.0 1.00 0.02 0.02) = 0.027% HB2 MET 118 - QD2 LEU 74 3.846% * 0.0253% (0.21 1.0 1.00 0.02 0.02) = 0.025% HB2 ASP- 28 - QD2 LEU 43 3.846% * 0.0183% (0.15 1.0 1.00 0.02 0.02) = 0.018% HB VAL 125 - QD2 LEU 43 3.846% * 0.0183% (0.15 1.0 1.00 0.02 0.14) = 0.018% HB2 ASP- 28 - QD2 LEU 74 3.846% * 0.0174% (0.15 1.0 1.00 0.02 0.02) = 0.017% HB VAL 125 - QD2 LEU 74 3.846% * 0.0174% (0.15 1.0 1.00 0.02 0.02) = 0.017% HB2 LYS+ 110 - QD2 LEU 43 3.846% * 0.0148% (0.12 1.0 1.00 0.02 0.11) = 0.015% HB2 LYS+ 110 - QD2 LEU 74 3.846% * 0.0141% (0.12 1.0 1.00 0.02 0.02) = 0.014% HD3 LYS+ 110 - QD2 LEU 43 3.846% * 0.0117% (0.10 1.0 1.00 0.02 0.11) = 0.012% HD3 LYS+ 110 - QD2 LEU 74 3.846% * 0.0112% (0.09 1.0 1.00 0.02 0.02) = 0.011% Peak 2676 (1.64, 0.48, 25.61 ppm): 24 chemical-shift based assignments, quality = 0.292, support = 3.4, residual support = 105.1: * O T HG LEU 43 - QD2 LEU 43 4.167% * 58.1647% (0.28 10.0 10.00 5.10 179.96) = 58.165% kept T HG LEU 43 - QD2 LEU 74 4.167% * 28.8878% (0.32 1.0 10.00 0.88 1.31) = 28.888% kept HB ILE 68 - QD2 LEU 74 4.167% * 6.6783% (0.32 1.0 1.00 2.03 1.08) = 6.678% kept HB ILE 68 - QD2 LEU 43 4.167% * 2.6902% (0.28 1.0 1.00 0.93 0.61) = 2.690% kept HB3 LYS+ 66 - QD2 LEU 43 4.167% * 1.6200% (0.14 1.0 1.00 1.09 0.02) = 1.620% kept HG2 ARG+ 22 - QD2 LEU 74 4.167% * 1.1308% (0.51 1.0 1.00 0.22 0.02) = 1.131% kept HG2 ARG+ 22 - QD2 LEU 43 4.167% * 0.0925% (0.45 1.0 1.00 0.02 0.02) = 0.093% HG LEU 23 - QD2 LEU 74 4.167% * 0.0787% (0.38 1.0 1.00 0.02 0.02) = 0.079% HG12 ILE 101 - QD2 LEU 74 4.167% * 0.0701% (0.34 1.0 1.00 0.02 0.02) = 0.070% HG LEU 23 - QD2 LEU 43 4.167% * 0.0696% (0.34 1.0 1.00 0.02 0.02) = 0.070% HB VAL 122 - QD2 LEU 74 4.167% * 0.0657% (0.32 1.0 1.00 0.02 0.02) = 0.066% HG12 ILE 101 - QD2 LEU 43 4.167% * 0.0620% (0.30 1.0 1.00 0.02 0.02) = 0.062% HB VAL 122 - QD2 LEU 43 4.167% * 0.0582% (0.28 1.0 1.00 0.02 0.02) = 0.058% HG3 ARG+ 84 - QD2 LEU 74 4.167% * 0.0528% (0.25 1.0 1.00 0.02 0.02) = 0.053% HG3 ARG+ 84 - QD2 LEU 43 4.167% * 0.0467% (0.23 1.0 1.00 0.02 0.02) = 0.047% HG3 LYS+ 78 - QD2 LEU 74 4.167% * 0.0370% (0.18 1.0 1.00 0.02 0.02) = 0.037% HB3 LYS+ 66 - QD2 LEU 74 4.167% * 0.0334% (0.16 1.0 1.00 0.02 0.16) = 0.033% HG3 LYS+ 78 - QD2 LEU 43 4.167% * 0.0327% (0.16 1.0 1.00 0.02 0.02) = 0.033% HB ILE 100 - QD2 LEU 74 4.167% * 0.0301% (0.15 1.0 1.00 0.02 0.02) = 0.030% HB ILE 100 - QD2 LEU 43 4.167% * 0.0267% (0.13 1.0 1.00 0.02 0.02) = 0.027% HB3 MET 97 - QD2 LEU 74 4.167% * 0.0214% (0.10 1.0 1.00 0.02 1.03) = 0.021% HB3 MET 97 - QD2 LEU 43 4.167% * 0.0190% (0.09 1.0 1.00 0.02 0.02) = 0.019% HB3 MET 126 - QD2 LEU 74 4.167% * 0.0167% (0.08 1.0 1.00 0.02 0.02) = 0.017% HB3 MET 126 - QD2 LEU 43 4.167% * 0.0148% (0.07 1.0 1.00 0.02 0.28) = 0.015% Peak 2677 (1.46, 0.47, 25.55 ppm): 26 chemical-shift based assignments, quality = 0.499, support = 2.93, residual support = 11.0: * T HB3 LEU 67 - QD2 LEU 74 3.846% * 51.4960% (0.54 10.00 4.13 17.19) = 51.496% kept T HB3 LEU 67 - QD2 LEU 43 3.846% * 36.2094% (0.45 10.00 1.69 3.85) = 36.209% kept HG3 LYS+ 60 - QD2 LEU 74 3.846% * 3.3756% (0.75 1.00 0.95 1.30) = 3.376% kept HB3 LYS+ 44 - QD2 LEU 43 3.846% * 2.4614% (0.14 1.00 3.75 27.85) = 2.461% kept HG3 PRO 52 - QD2 LEU 74 3.846% * 1.8356% (0.60 1.00 0.65 0.48) = 1.836% kept QB ALA 70 - QD2 LEU 74 3.846% * 1.6136% (0.15 1.00 2.30 0.33) = 1.614% kept HG2 PRO 59 - QD2 LEU 74 3.846% * 1.4623% (0.75 1.00 0.41 1.54) = 1.462% kept HB3 LYS+ 44 - QD2 LEU 74 3.846% * 1.0218% (0.17 1.00 1.29 0.61) = 1.022% kept HG13 ILE 48 - QD2 LEU 74 3.846% * 0.0684% (0.72 1.00 0.02 0.02) = 0.068% HG2 PRO 59 - QD2 LEU 43 3.846% * 0.0589% (0.62 1.00 0.02 0.02) = 0.059% HG3 LYS+ 60 - QD2 LEU 43 3.846% * 0.0589% (0.62 1.00 0.02 0.02) = 0.059% HG13 ILE 48 - QD2 LEU 43 3.846% * 0.0569% (0.60 1.00 0.02 1.60) = 0.057% HG3 PRO 52 - QD2 LEU 43 3.846% * 0.0473% (0.50 1.00 0.02 0.02) = 0.047% HG LEU 90 - QD2 LEU 74 3.846% * 0.0373% (0.39 1.00 0.02 0.11) = 0.037% HG LEU 90 - QD2 LEU 43 3.846% * 0.0310% (0.33 1.00 0.02 0.02) = 0.031% HG3 LYS+ 113 - QD2 LEU 74 3.846% * 0.0219% (0.23 1.00 0.02 0.02) = 0.022% HG3 LYS+ 113 - QD2 LEU 43 3.846% * 0.0182% (0.19 1.00 0.02 0.02) = 0.018% HG3 LYS+ 55 - QD2 LEU 74 3.846% * 0.0177% (0.19 1.00 0.02 0.02) = 0.018% HG3 ARG+ 22 - QD2 LEU 74 3.846% * 0.0177% (0.19 1.00 0.02 0.02) = 0.018% HD3 LYS+ 113 - QD2 LEU 74 3.846% * 0.0158% (0.17 1.00 0.02 0.02) = 0.016% HG3 LYS+ 55 - QD2 LEU 43 3.846% * 0.0147% (0.16 1.00 0.02 0.02) = 0.015% HG3 ARG+ 22 - QD2 LEU 43 3.846% * 0.0147% (0.16 1.00 0.02 0.02) = 0.015% HD3 LYS+ 113 - QD2 LEU 43 3.846% * 0.0131% (0.14 1.00 0.02 0.02) = 0.013% QB ALA 70 - QD2 LEU 43 3.846% * 0.0117% (0.12 1.00 0.02 0.02) = 0.012% QG2 THR 38 - QD2 LEU 74 3.846% * 0.0109% (0.12 1.00 0.02 0.02) = 0.011% QG2 THR 38 - QD2 LEU 43 3.846% * 0.0091% (0.10 1.00 0.02 1.46) = 0.009% Peak 2679 (1.19, 0.47, 25.61 ppm): 12 chemical-shift based assignments, quality = 0.409, support = 4.07, residual support = 109.7: * O T HB2 LEU 74 - QD2 LEU 74 8.333% * 50.3714% (0.61 10.0 10.00 5.52 159.05) = 50.371% kept O T HB2 LEU 43 - QD2 LEU 43 8.333% * 14.9958% (0.18 10.0 10.00 5.30 179.96) = 14.996% kept T HB2 LEU 43 - QD2 LEU 74 8.333% * 14.4703% (0.30 1.0 10.00 1.17 1.31) = 14.470% kept T HB2 LEU 67 - QD2 LEU 74 8.333% * 12.5019% (0.18 1.0 10.00 1.66 17.19) = 12.502% kept T HB2 LEU 67 - QD2 LEU 43 8.333% * 7.2686% (0.11 1.0 10.00 1.60 3.85) = 7.269% kept T HB2 LEU 74 - QD2 LEU 43 8.333% * 0.3047% (0.37 1.0 10.00 0.02 1.31) = 0.305% QG2 THR 106 - QD2 LEU 74 8.333% * 0.0317% (0.38 1.0 1.00 0.02 0.02) = 0.032% QG2 THR 106 - QD2 LEU 43 8.333% * 0.0192% (0.23 1.0 1.00 0.02 0.02) = 0.019% HG3 PRO 59 - QD2 LEU 74 8.333% * 0.0134% (0.16 1.0 1.00 0.02 1.54) = 0.013% HB3 ARG+ 22 - QD2 LEU 74 8.333% * 0.0093% (0.11 1.0 1.00 0.02 0.02) = 0.009% HG3 PRO 59 - QD2 LEU 43 8.333% * 0.0081% (0.10 1.0 1.00 0.02 0.02) = 0.008% HB3 ARG+ 22 - QD2 LEU 43 8.333% * 0.0056% (0.07 1.0 1.00 0.02 0.02) = 0.006% Peak 2682 (0.91, 1.62, 25.80 ppm): 13 chemical-shift based assignments, quality = 0.512, support = 1.2, residual support = 3.06: QG2 VAL 80 - HG LEU 43 7.692% * 26.1582% (0.65 1.52 4.17) = 26.158% kept QD1 LEU 67 - HG LEU 43 7.692% * 20.7137% (0.55 1.41 3.85) = 20.714% kept * QG2 VAL 40 - HG LEU 43 7.692% * 13.7015% (0.44 1.18 4.76) = 13.701% kept QG1 VAL 47 - HG LEU 43 7.692% * 12.1891% (0.50 0.93 0.53) = 12.189% kept QG1 VAL 80 - HG LEU 43 7.692% * 9.4200% (0.20 1.77 4.17) = 9.420% kept HG3 LYS+ 110 - HG LEU 43 7.692% * 8.6802% (0.58 0.57 0.11) = 8.680% kept HG3 LYS+ 117 - HG LEU 43 7.692% * 3.7379% (0.61 0.23 0.02) = 3.738% kept HG12 ILE 68 - HG LEU 43 7.692% * 2.4366% (0.53 0.18 0.61) = 2.437% kept QG2 VAL 62 - HG LEU 43 7.692% * 1.2145% (0.10 0.47 3.21) = 1.214% kept QG2 VAL 105 - HG LEU 43 7.692% * 0.7240% (0.33 0.08 0.02) = 0.724% QG1 VAL 105 - HG LEU 43 7.692% * 0.6340% (0.27 0.09 0.02) = 0.634% QG2 VAL 87 - HG LEU 43 7.692% * 0.2326% (0.44 0.02 0.02) = 0.233% QD1 LEU 17 - HG LEU 43 7.692% * 0.1576% (0.30 0.02 0.02) = 0.158% Peak 2683 (0.89, 0.48, 25.57 ppm): 18 chemical-shift based assignments, quality = 0.44, support = 2.52, residual support = 7.36: * QD1 LEU 67 - QD2 LEU 74 5.556% * 24.5401% (0.41 4.76 17.19) = 24.540% kept QD1 LEU 67 - QD2 LEU 43 5.556% * 16.2200% (0.40 3.17 3.85) = 16.220% kept QG2 VAL 40 - QD2 LEU 74 5.556% * 13.9908% (0.50 2.23 11.48) = 13.991% kept QG1 VAL 80 - QD2 LEU 43 5.556% * 9.0116% (0.59 1.21 4.17) = 9.012% kept QG2 VAL 40 - QD2 LEU 43 5.556% * 8.5356% (0.49 1.37 4.76) = 8.536% kept HG3 LYS+ 117 - QD2 LEU 74 5.556% * 7.8820% (0.36 1.73 1.02) = 7.882% kept QG1 VAL 47 - QD2 LEU 74 5.556% * 6.2279% (0.45 1.09 0.36) = 6.228% kept QG2 VAL 125 - QD2 LEU 43 5.556% * 5.9548% (0.49 0.96 0.14) = 5.955% kept QG1 VAL 47 - QD2 LEU 43 5.556% * 3.0997% (0.45 0.54 0.53) = 3.100% kept HG3 LYS+ 117 - QD2 LEU 43 5.556% * 2.9001% (0.36 0.64 0.02) = 2.900% kept QG1 VAL 80 - QD2 LEU 74 5.556% * 0.7372% (0.59 0.10 0.02) = 0.737% QG2 VAL 125 - QD2 LEU 74 5.556% * 0.5094% (0.50 0.08 0.02) = 0.509% QG2 VAL 87 - QD2 LEU 74 5.556% * 0.1253% (0.50 0.02 0.02) = 0.125% QG2 VAL 87 - QD2 LEU 43 5.556% * 0.1244% (0.49 0.02 0.02) = 0.124% QG2 ILE 100 - QD2 LEU 74 5.556% * 0.0374% (0.15 0.02 0.02) = 0.037% QG2 ILE 100 - QD2 LEU 43 5.556% * 0.0371% (0.15 0.02 0.02) = 0.037% QD1 LEU 90 - QD2 LEU 74 5.556% * 0.0334% (0.13 0.02 0.11) = 0.033% QD1 LEU 90 - QD2 LEU 43 5.556% * 0.0331% (0.13 0.02 0.02) = 0.033% Peak 2687 (0.48, 1.62, 25.63 ppm): 2 chemical-shift based assignments, quality = 0.86, support = 4.53, residual support = 155.9: * O T QD2 LEU 43 - HG LEU 43 50.000% * 86.5547% (0.94 10.0 10.00 5.10 179.96) = 86.555% kept T QD2 LEU 74 - HG LEU 43 50.000% * 13.4453% (0.33 1.0 10.00 0.88 1.31) = 13.445% kept Peak 2688 (0.47, 0.46, 25.58 ppm): 2 diagonal assignments: * QD2 LEU 74 - QD2 LEU 74 (0.77) kept QD2 LEU 43 - QD2 LEU 43 (0.34) kept Peak 2691 (-0.06, 0.47, 25.59 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2692 (-0.11, 1.62, 25.65 ppm): 1 chemical-shift based assignment, quality = 0.975, support = 5.6, residual support = 180.0: * O T QD1 LEU 43 - HG LEU 43 100.000% *100.0000% (0.98 10.0 10.00 5.60 179.96) = 100.000% kept Peak 2693 (8.60, 0.89, 25.32 ppm): 12 chemical-shift based assignments, quality = 0.455, support = 0.529, residual support = 0.386: HN THR 39 - HG3 LYS+ 117 8.333% * 45.5199% (0.52 0.70 0.63) = 45.520% kept HN VAL 80 - HG3 LYS+ 117 8.333% * 26.1246% (0.49 0.42 0.10) = 26.125% kept HN VAL 73 - HG3 LYS+ 117 8.333% * 18.7979% (0.37 0.41 0.14) = 18.798% kept HN LYS+ 20 - QD1 LEU 17 8.333% * 2.7628% (0.06 0.39 1.09) = 2.763% kept HN THR 39 - QD1 LEU 90 8.333% * 2.6760% (0.07 0.32 0.55) = 2.676% kept HN LYS+ 20 - HG3 LYS+ 117 8.333% * 1.8657% (0.75 0.02 0.02) = 1.866% kept HN VAL 80 - QD1 LEU 17 8.333% * 1.5767% (0.04 0.34 0.02) = 1.577% kept HN LYS+ 20 - QD1 LEU 90 8.333% * 0.2353% (0.09 0.02 0.02) = 0.235% HN VAL 80 - QD1 LEU 90 8.333% * 0.1553% (0.06 0.02 0.02) = 0.155% HN VAL 73 - QD1 LEU 90 8.333% * 0.1169% (0.05 0.02 0.02) = 0.117% HN THR 39 - QD1 LEU 17 8.333% * 0.0988% (0.04 0.02 0.02) = 0.099% HN VAL 73 - QD1 LEU 17 8.333% * 0.0700% (0.03 0.02 0.02) = 0.070% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 2694 (7.84, 1.40, 25.25 ppm): 3 chemical-shift based assignments, quality = 0.0715, support = 0.988, residual support = 1.24: HN LYS+ 63 - HG3 LYS+ 113 33.333% * 95.7575% (0.07 1.03 1.30) = 95.757% kept HN THR 38 - HG3 LYS+ 113 33.333% * 3.6015% (0.03 0.08 0.02) = 3.602% kept HD22 ASN 89 - HG3 LYS+ 113 33.333% * 0.6410% (0.03 0.02 0.02) = 0.641% Reference assignment not found: HN LYS+ 55 - HG3 LYS+ 55 Not enough quality. Peak unassigned. Peak 2695 (4.04, 0.90, 25.23 ppm): 18 chemical-shift based assignments, quality = 0.49, support = 0.455, residual support = 0.278: T HB3 SER 85 - HG3 LYS+ 117 5.556% * 35.7115% (0.83 10.00 0.33 0.02) = 35.712% kept T HB THR 38 - HG3 LYS+ 117 5.556% * 33.3208% (0.40 10.00 0.63 0.40) = 33.321% kept T HB2 SER 49 - HG3 LYS+ 117 5.556% * 16.3886% (0.22 10.00 0.56 0.55) = 16.389% kept T HB3 SER 49 - HG3 LYS+ 117 5.556% * 8.1488% (0.24 10.00 0.26 0.55) = 8.149% kept T HB3 SER 85 - QD1 LEU 17 5.556% * 4.1359% (0.10 10.00 0.33 0.02) = 4.136% kept HA VAL 13 - HG3 LYS+ 117 5.556% * 0.9722% (0.34 1.00 0.22 0.02) = 0.972% T HA VAL 125 - HG3 LYS+ 117 5.556% * 0.7250% (0.28 10.00 0.02 0.02) = 0.725% T HA VAL 13 - QD1 LEU 90 5.556% * 0.1516% (0.06 10.00 0.02 0.02) = 0.152% T HB THR 38 - QD1 LEU 17 5.556% * 0.1223% (0.05 10.00 0.02 0.02) = 0.122% T HA VAL 125 - QD1 LEU 17 5.556% * 0.0842% (0.03 10.00 0.02 0.02) = 0.084% T HB3 SER 49 - QD1 LEU 17 5.556% * 0.0723% (0.03 10.00 0.02 0.02) = 0.072% T HB2 SER 49 - QD1 LEU 17 5.556% * 0.0680% (0.03 10.00 0.02 0.02) = 0.068% HB3 SER 85 - QD1 LEU 90 5.556% * 0.0373% (0.14 1.00 0.02 0.02) = 0.037% HB THR 38 - QD1 LEU 90 5.556% * 0.0181% (0.07 1.00 0.02 0.02) = 0.018% HA VAL 125 - QD1 LEU 90 5.556% * 0.0125% (0.05 1.00 0.02 0.02) = 0.012% HB3 SER 49 - QD1 LEU 90 5.556% * 0.0107% (0.04 1.00 0.02 0.02) = 0.011% HA VAL 13 - QD1 LEU 17 5.556% * 0.0102% (0.04 1.00 0.02 0.02) = 0.010% HB2 SER 49 - QD1 LEU 90 5.556% * 0.0101% (0.04 1.00 0.02 0.02) = 0.010% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 2698 (2.27, 0.90, 25.33 ppm): 36 chemical-shift based assignments, quality = 0.733, support = 0.843, residual support = 1.2: O HB3 LYS+ 117 - HG3 LYS+ 117 2.778% * 54.5277% (0.74 10.0 1.00 1.00 2.12) = 54.528% kept T HB VAL 80 - HG3 LYS+ 117 2.778% * 39.5118% (0.75 1.0 10.00 0.72 0.10) = 39.512% kept HG3 GLU- 75 - HG3 LYS+ 117 2.778% * 2.7629% (0.74 1.0 1.00 0.51 0.02) = 2.763% kept T HG2 PRO 112 - HG3 LYS+ 117 2.778% * 1.0700% (0.73 1.0 10.00 0.02 0.02) = 1.070% kept T HB3 PRO 112 - HG3 LYS+ 117 2.778% * 1.0209% (0.69 1.0 10.00 0.02 0.02) = 1.021% kept HB2 LYS+ 44 - HG3 LYS+ 117 2.778% * 0.4665% (0.39 1.0 1.00 0.16 0.02) = 0.466% HG3 GLU- 54 - HG3 LYS+ 117 2.778% * 0.0919% (0.62 1.0 1.00 0.02 0.02) = 0.092% HG3 GLU- 107 - HG3 LYS+ 117 2.778% * 0.0841% (0.57 1.0 1.00 0.02 0.02) = 0.084% T HB VAL 80 - QD1 LEU 17 2.778% * 0.0836% (0.06 1.0 10.00 0.02 0.02) = 0.084% T HG2 PRO 112 - QD1 LEU 17 2.778% * 0.0813% (0.06 1.0 10.00 0.02 0.02) = 0.081% T HB3 PRO 112 - QD1 LEU 17 2.778% * 0.0776% (0.05 1.0 10.00 0.02 0.02) = 0.078% HB3 ASN 15 - HG3 LYS+ 117 2.778% * 0.0340% (0.23 1.0 1.00 0.02 0.02) = 0.034% HG3 GLU- 10 - HG3 LYS+ 117 2.778% * 0.0218% (0.15 1.0 1.00 0.02 0.02) = 0.022% HG3 GLN 16 - HG3 LYS+ 117 2.778% * 0.0193% (0.13 1.0 1.00 0.02 0.02) = 0.019% HB3 GLU- 45 - HG3 LYS+ 117 2.778% * 0.0149% (0.10 1.0 1.00 0.02 0.02) = 0.015% HB VAL 80 - QD1 LEU 90 2.778% * 0.0116% (0.08 1.0 1.00 0.02 0.02) = 0.012% HB3 LYS+ 117 - QD1 LEU 90 2.778% * 0.0115% (0.08 1.0 1.00 0.02 0.02) = 0.011% HG3 GLU- 75 - QD1 LEU 90 2.778% * 0.0115% (0.08 1.0 1.00 0.02 0.39) = 0.011% HG2 PRO 112 - QD1 LEU 90 2.778% * 0.0113% (0.08 1.0 1.00 0.02 0.02) = 0.011% HB3 PRO 112 - QD1 LEU 90 2.778% * 0.0108% (0.07 1.0 1.00 0.02 0.02) = 0.011% HG3 GLU- 54 - QD1 LEU 90 2.778% * 0.0097% (0.07 1.0 1.00 0.02 0.02) = 0.010% HG3 GLU- 107 - QD1 LEU 90 2.778% * 0.0089% (0.06 1.0 1.00 0.02 0.02) = 0.009% HG3 GLU- 75 - QD1 LEU 17 2.778% * 0.0083% (0.06 1.0 1.00 0.02 0.25) = 0.008% HB3 LYS+ 117 - QD1 LEU 17 2.778% * 0.0083% (0.06 1.0 1.00 0.02 0.02) = 0.008% HG3 GLU- 54 - QD1 LEU 17 2.778% * 0.0070% (0.05 1.0 1.00 0.02 0.02) = 0.007% HG3 GLU- 107 - QD1 LEU 17 2.778% * 0.0064% (0.04 1.0 1.00 0.02 0.02) = 0.006% HB2 LYS+ 44 - QD1 LEU 90 2.778% * 0.0061% (0.04 1.0 1.00 0.02 0.02) = 0.006% HB2 LYS+ 44 - QD1 LEU 17 2.778% * 0.0044% (0.03 1.0 1.00 0.02 0.02) = 0.004% HB3 ASN 15 - QD1 LEU 90 2.778% * 0.0036% (0.02 1.0 1.00 0.02 0.22) = 0.004% HB3 ASN 15 - QD1 LEU 17 2.778% * 0.0026% (0.02 1.0 1.00 0.02 0.02) = 0.003% HG3 GLU- 10 - QD1 LEU 90 2.778% * 0.0023% (0.02 1.0 1.00 0.02 0.02) = 0.002% HG3 GLN 16 - QD1 LEU 90 2.778% * 0.0020% (0.01 1.0 1.00 0.02 0.02) = 0.002% HG3 GLU- 10 - QD1 LEU 17 2.778% * 0.0017% (0.01 1.0 1.00 0.02 0.02) = 0.002% HB3 GLU- 45 - QD1 LEU 90 2.778% * 0.0016% (0.01 1.0 1.00 0.02 0.02) = 0.002% HG3 GLN 16 - QD1 LEU 17 2.778% * 0.0015% (0.01 1.0 1.00 0.02 18.76) = 0.001% HB3 GLU- 45 - QD1 LEU 17 2.778% * 0.0011% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 2699 (1.95, 1.94, 25.25 ppm): 1 diagonal assignment: * HG3 PRO 31 - HG3 PRO 31 (0.86) kept Peak 2700 (1.95, 1.77, 25.39 ppm): 28 chemical-shift based assignments, quality = 0.623, support = 2.63, residual support = 30.4: * O T HG3 PRO 31 - HG2 PRO 31 3.571% * 86.8414% (0.66 10.0 10.00 3.00 34.96) = 86.841% kept HG3 PRO 116 - HG3 LYS+ 63 3.571% * 2.7113% (0.77 1.0 1.00 0.53 0.25) = 2.711% kept HG3 PRO 116 - HG2 PRO 31 3.571% * 2.4602% (0.74 1.0 1.00 0.51 0.02) = 2.460% kept T HB2 PRO 35 - HG3 LYS+ 63 3.571% * 1.0141% (0.77 1.0 10.00 0.02 0.02) = 1.014% kept T HB2 PRO 35 - HG2 PRO 31 3.571% * 0.9662% (0.74 1.0 10.00 0.02 0.02) = 0.966% T HG3 PRO 31 - HG3 LYS+ 63 3.571% * 0.9115% (0.70 1.0 10.00 0.02 0.02) = 0.912% T HB3 LYS+ 55 - HG3 LYS+ 63 3.571% * 0.8816% (0.67 1.0 10.00 0.02 0.72) = 0.882% T HB3 LYS+ 55 - HG2 PRO 31 3.571% * 0.8399% (0.64 1.0 10.00 0.02 0.02) = 0.840% T HB2 GLU- 75 - HG3 LYS+ 63 3.571% * 0.6982% (0.53 1.0 10.00 0.02 0.02) = 0.698% T HB2 GLU- 75 - HG2 PRO 31 3.571% * 0.6651% (0.51 1.0 10.00 0.02 0.02) = 0.665% T HB2 PRO 116 - HG3 LYS+ 63 3.571% * 0.3815% (0.29 1.0 10.00 0.02 0.25) = 0.381% T HB2 PRO 116 - HG2 PRO 31 3.571% * 0.3634% (0.28 1.0 10.00 0.02 0.02) = 0.363% T HB2 PRO 86 - HG3 LYS+ 63 3.571% * 0.2263% (0.17 1.0 10.00 0.02 0.02) = 0.226% T HB2 PRO 86 - HG2 PRO 31 3.571% * 0.2156% (0.16 1.0 10.00 0.02 0.02) = 0.216% HB VAL 13 - HG3 LYS+ 63 3.571% * 0.1007% (0.77 1.0 1.00 0.02 0.02) = 0.101% HB3 GLU- 109 - HG3 LYS+ 63 3.571% * 0.0961% (0.73 1.0 1.00 0.02 0.02) = 0.096% HB VAL 13 - HG2 PRO 31 3.571% * 0.0960% (0.73 1.0 1.00 0.02 0.02) = 0.096% HB3 GLU- 109 - HG2 PRO 31 3.571% * 0.0916% (0.70 1.0 1.00 0.02 0.02) = 0.092% HB VAL 73 - HG3 LYS+ 63 3.571% * 0.0575% (0.44 1.0 1.00 0.02 0.02) = 0.058% HB VAL 73 - HG2 PRO 31 3.571% * 0.0548% (0.42 1.0 1.00 0.02 0.02) = 0.055% HG3 PRO 104 - HG3 LYS+ 63 3.571% * 0.0495% (0.38 1.0 1.00 0.02 0.02) = 0.049% HG3 PRO 104 - HG2 PRO 31 3.571% * 0.0471% (0.36 1.0 1.00 0.02 0.02) = 0.047% HG2 PRO 112 - HG3 LYS+ 63 3.571% * 0.0416% (0.32 1.0 1.00 0.02 0.02) = 0.042% HG2 PRO 112 - HG2 PRO 31 3.571% * 0.0396% (0.30 1.0 1.00 0.02 0.02) = 0.040% HB2 GLU- 10 - HG3 LYS+ 63 3.571% * 0.0381% (0.29 1.0 1.00 0.02 0.02) = 0.038% HB3 GLU- 56 - HG3 LYS+ 63 3.571% * 0.0381% (0.29 1.0 1.00 0.02 0.36) = 0.038% HB2 GLU- 10 - HG2 PRO 31 3.571% * 0.0363% (0.28 1.0 1.00 0.02 0.02) = 0.036% HB3 GLU- 56 - HG2 PRO 31 3.571% * 0.0363% (0.28 1.0 1.00 0.02 0.02) = 0.036% Peak 2701 (1.78, 1.77, 25.44 ppm): 2 diagonal assignments: * HG3 LYS+ 63 - HG3 LYS+ 63 (0.61) kept HG2 PRO 31 - HG2 PRO 31 (0.54) kept Peak 2702 (1.72, 0.82, 25.52 ppm): 8 chemical-shift based assignments, quality = 0.57, support = 2.57, residual support = 15.9: HB2 GLN 16 - QD2 LEU 17 12.500% * 83.0109% (0.68 1.0 2.90 18.76) = 83.011% kept O HB2 LYS+ 117 - HG2 LYS+ 117 12.500% * 16.2597% (0.04 10.0 1.00 2.12) = 16.260% kept HB ILE 48 - QD2 LEU 17 12.500% * 0.2193% (0.26 1.0 0.02 0.02) = 0.219% HB3 LEU 23 - QD2 LEU 17 12.500% * 0.1457% (0.17 1.0 0.02 0.13) = 0.146% HB2 GLN 16 - HG2 LYS+ 117 12.500% * 0.1432% (0.17 1.0 0.02 0.02) = 0.143% HB2 LYS+ 117 - QD2 LEU 17 12.500% * 0.1301% (0.15 1.0 0.02 0.02) = 0.130% HB ILE 48 - HG2 LYS+ 117 12.500% * 0.0548% (0.07 1.0 0.02 0.02) = 0.055% HB3 LEU 23 - HG2 LYS+ 117 12.500% * 0.0364% (0.04 1.0 0.02 0.02) = 0.036% Peak 2705 (0.73, 3.44, 66.58 ppm): 18 chemical-shift based assignments, quality = 0.576, support = 3.42, residual support = 35.6: * O QG1 VAL 40 - HA VAL 40 5.556% * 81.0828% (0.58 10.0 3.95 43.10) = 81.083% kept QG2 ILE 48 - HA VAL 62 5.556% * 6.4468% (0.57 1.0 1.63 9.55) = 6.447% kept HG3 LYS+ 44 - HA VAL 62 5.556% * 5.7946% (0.71 1.0 1.17 1.08) = 5.795% kept HG3 LYS+ 44 - HA VAL 40 5.556% * 3.4717% (0.49 1.0 1.02 0.30) = 3.472% kept QG2 ILE 101 - HA VAL 62 5.556% * 1.8159% (0.45 1.0 0.58 0.80) = 1.816% kept QG2 ILE 48 - HA VAL 40 5.556% * 0.4656% (0.39 1.0 0.17 0.02) = 0.466% QD1 ILE 68 - HA VAL 62 5.556% * 0.1190% (0.86 1.0 0.02 0.02) = 0.119% QG1 VAL 40 - HA VAL 62 5.556% * 0.1187% (0.85 1.0 0.02 0.02) = 0.119% QG2 VAL 65 - HA VAL 62 5.556% * 0.1179% (0.85 1.0 0.02 0.02) = 0.118% HG3 LYS+ 66 - HA VAL 62 5.556% * 0.0994% (0.71 1.0 0.02 0.02) = 0.099% HG LEU 74 - HA VAL 62 5.556% * 0.0864% (0.62 1.0 0.02 0.02) = 0.086% QD1 ILE 68 - HA VAL 40 5.556% * 0.0813% (0.58 1.0 0.02 0.02) = 0.081% QG2 VAL 65 - HA VAL 40 5.556% * 0.0805% (0.58 1.0 0.02 0.02) = 0.081% HG3 LYS+ 66 - HA VAL 40 5.556% * 0.0679% (0.49 1.0 0.02 0.02) = 0.068% HG LEU 74 - HA VAL 40 5.556% * 0.0590% (0.42 1.0 0.02 11.48) = 0.059% QG2 ILE 101 - HA VAL 40 5.556% * 0.0426% (0.31 1.0 0.02 0.59) = 0.043% QG2 THR 96 - HA VAL 62 5.556% * 0.0297% (0.21 1.0 0.02 0.02) = 0.030% QG2 THR 96 - HA VAL 40 5.556% * 0.0203% (0.15 1.0 0.02 0.02) = 0.020% Peak 2706 (0.69, 1.77, 25.28 ppm): 18 chemical-shift based assignments, quality = 0.552, support = 0.448, residual support = 2.94: QG1 VAL 65 - HG3 LYS+ 63 5.556% * 26.6149% (0.50 0.90 0.02) = 26.615% kept QG2 VAL 94 - HG3 LYS+ 63 5.556% * 17.0102% (0.77 0.37 0.45) = 17.010% kept QG1 VAL 62 - HG3 LYS+ 63 5.556% * 14.0562% (0.50 0.47 20.04) = 14.056% kept QG2 ILE 48 - HG3 LYS+ 63 5.556% * 11.8215% (0.77 0.26 0.02) = 11.822% kept QG2 ILE 101 - HG2 PRO 31 5.556% * 9.1736% (0.64 0.24 0.35) = 9.174% kept QG2 ILE 101 - HG3 LYS+ 63 5.556% * 9.1087% (0.64 0.24 0.02) = 9.109% kept QG2 THR 96 - HG3 LYS+ 63 5.556% * 3.3294% (0.34 0.16 0.02) = 3.329% kept QG2 ILE 68 - HG3 LYS+ 63 5.556% * 0.9162% (0.77 0.02 0.02) = 0.916% HG12 ILE 19 - HG3 LYS+ 63 5.556% * 0.9141% (0.76 0.02 0.02) = 0.914% QG2 ILE 68 - HG2 PRO 31 5.556% * 0.9135% (0.76 0.02 0.02) = 0.913% * QG2 VAL 94 - HG2 PRO 31 5.556% * 0.9135% (0.76 0.02 0.02) = 0.913% QG2 ILE 48 - HG2 PRO 31 5.556% * 0.9119% (0.76 0.02 0.02) = 0.912% HG12 ILE 19 - HG2 PRO 31 5.556% * 0.9114% (0.76 0.02 0.02) = 0.911% QD1 ILE 19 - HG3 LYS+ 63 5.556% * 0.9080% (0.76 0.02 0.02) = 0.908% QD1 ILE 19 - HG2 PRO 31 5.556% * 0.9054% (0.76 0.02 0.02) = 0.905% QG1 VAL 65 - HG2 PRO 31 5.556% * 0.5909% (0.49 0.02 0.02) = 0.591% QG1 VAL 62 - HG2 PRO 31 5.556% * 0.5909% (0.49 0.02 0.02) = 0.591% QG2 THR 96 - HG2 PRO 31 5.556% * 0.4095% (0.34 0.02 0.02) = 0.410% Reference assignment eliminated. Peak 2708 (8.96, 1.03, 24.99 ppm): 6 chemical-shift based assignments, quality = 0.759, support = 2.71, residual support = 21.1: HN ILE 19 - HG3 LYS+ 20 16.667% * 40.5848% (0.88 3.61 45.32) = 40.585% kept HN MET 97 - HG3 LYS+ 20 16.667% * 23.2537% (0.97 1.89 7.95) = 23.254% kept * HN PHE 21 - HG3 LYS+ 20 16.667% * 14.1192% (0.27 4.05 4.33) = 14.119% kept HN LEU 17 - HG3 LYS+ 20 16.667% * 10.8091% (0.85 0.99 1.09) = 10.809% kept HN ARG+ 22 - HG3 LYS+ 20 16.667% * 5.7722% (0.44 1.03 0.12) = 5.772% kept HN THR 96 - HG3 LYS+ 20 16.667% * 5.4610% (0.37 1.16 1.78) = 5.461% kept Peak 2709 (8.83, 1.45, 25.03 ppm): 6 chemical-shift based assignments, quality = 0.912, support = 4.26, residual support = 36.2: * HN LYS+ 60 - HG3 LYS+ 60 16.667% * 79.9246% (0.96 5.11 45.24) = 79.925% kept HN LYS+ 32 - HG3 LYS+ 60 16.667% * 13.2410% (0.84 0.97 0.16) = 13.241% kept HN ASN 57 - HG3 LYS+ 113 16.667% * 6.1735% (0.53 0.72 0.02) = 6.173% kept HN ASN 57 - HG3 LYS+ 60 16.667% * 0.2412% (0.74 0.02 0.02) = 0.241% HN LYS+ 60 - HG3 LYS+ 113 16.667% * 0.2238% (0.69 0.02 0.02) = 0.224% HN LYS+ 32 - HG3 LYS+ 113 16.667% * 0.1959% (0.60 0.02 0.02) = 0.196% Peak 2711 (8.32, 1.46, 24.97 ppm): 12 chemical-shift based assignments, quality = 0.795, support = 0.503, residual support = 0.0856: HN ASN 76 - HG3 LYS+ 60 8.333% * 33.1831% (0.95 0.67 0.15) = 33.183% kept HN GLY 114 - HG3 LYS+ 60 8.333% * 24.3864% (0.93 0.50 0.11) = 24.386% kept HN VAL 99 - HG3 LYS+ 60 8.333% * 17.5344% (0.79 0.42 0.02) = 17.534% kept HN GLU- 50 - HG3 LYS+ 60 8.333% * 13.2752% (0.58 0.44 0.02) = 13.275% kept HN GLY 114 - HG3 LYS+ 113 8.333% * 5.4786% (0.44 0.24 0.02) = 5.479% kept HN GLU- 50 - HG3 LYS+ 113 8.333% * 4.5976% (0.27 0.32 0.02) = 4.598% kept HN ASN 76 - HG3 LYS+ 113 8.333% * 0.4713% (0.45 0.02 0.02) = 0.471% HN VAL 99 - HG3 LYS+ 113 8.333% * 0.3937% (0.38 0.02 0.02) = 0.394% HN ALA 91 - HG3 LYS+ 60 8.333% * 0.3076% (0.29 0.02 0.02) = 0.308% HN GLU- 109 - HG3 LYS+ 60 8.333% * 0.1538% (0.15 0.02 0.02) = 0.154% HN ALA 91 - HG3 LYS+ 113 8.333% * 0.1455% (0.14 0.02 0.02) = 0.145% HN GLU- 109 - HG3 LYS+ 113 8.333% * 0.0727% (0.07 0.02 0.02) = 0.073% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 2712 (4.79, 0.90, 24.99 ppm): 16 chemical-shift based assignments, quality = 0.19, support = 0.984, residual support = 5.05: HA GLU- 18 - QD1 LEU 17 6.250% * 13.9585% (0.05 2.77 33.07) = 13.959% kept HA ASN 15 - HG3 LYS+ 117 6.250% * 12.7574% (0.49 0.26 0.02) = 12.757% kept HA ASN 15 - QD1 LEU 17 6.250% * 12.5094% (0.22 0.55 0.02) = 12.509% kept HA ASN 15 - QD1 LEU 90 6.250% * 12.5017% (0.16 0.76 0.22) = 12.502% kept HB THR 39 - QG2 VAL 40 6.250% * 10.7935% (0.07 1.53 2.95) = 10.794% kept HA LEU 23 - QD1 LEU 90 6.250% * 10.7274% (0.10 1.03 0.15) = 10.727% kept HB THR 39 - HG3 LYS+ 117 6.250% * 9.0340% (0.09 0.93 0.63) = 9.034% kept HA ASN 15 - QG2 VAL 40 6.250% * 8.3761% (0.35 0.23 0.02) = 8.376% kept HA LEU 23 - HG3 LYS+ 117 6.250% * 5.1468% (0.31 0.16 0.02) = 5.147% kept HB THR 39 - QD1 LEU 90 6.250% * 1.7043% (0.03 0.53 0.55) = 1.704% kept HA GLU- 18 - QD1 LEU 90 6.250% * 1.2793% (0.04 0.35 0.02) = 1.279% kept HA LEU 23 - QG2 VAL 40 6.250% * 0.4551% (0.22 0.02 0.02) = 0.455% HA LEU 23 - QD1 LEU 17 6.250% * 0.2885% (0.14 0.02 0.13) = 0.288% HA GLU- 18 - HG3 LYS+ 117 6.250% * 0.2196% (0.11 0.02 0.02) = 0.220% HA GLU- 18 - QG2 VAL 40 6.250% * 0.1591% (0.08 0.02 0.02) = 0.159% HB THR 39 - QD1 LEU 17 6.250% * 0.0892% (0.04 0.02 0.02) = 0.089% Peak 2713 (4.52, 1.41, 25.08 ppm): 5 chemical-shift based assignments, quality = 0.349, support = 0.394, residual support = 0.762: HA LYS+ 55 - HG3 LYS+ 113 20.000% * 85.6907% (0.34 0.46 0.89) = 85.691% kept HB THR 46 - HG3 LYS+ 113 20.000% * 5.5535% (0.51 0.02 0.02) = 5.553% kept HA ALA 103 - HG3 LYS+ 113 20.000% * 4.7323% (0.43 0.02 0.02) = 4.732% kept HB THR 79 - HG3 LYS+ 113 20.000% * 2.1122% (0.19 0.02 0.02) = 2.112% kept HA LEU 17 - HG3 LYS+ 113 20.000% * 1.9112% (0.17 0.02 0.02) = 1.911% kept Peak 2714 (4.50, 1.28, 25.06 ppm): 14 chemical-shift based assignments, quality = 0.164, support = 3.09, residual support = 30.1: * O HA LYS+ 32 - HG2 LYS+ 32 7.143% * 78.6143% (0.14 10.0 3.77 38.07) = 78.614% kept HA LYS+ 55 - HG2 LYS+ 32 7.143% * 6.3691% (0.43 1.0 0.54 1.22) = 6.369% kept HB THR 79 - HG2 LYS+ 81 7.143% * 6.0297% (0.24 1.0 0.92 1.01) = 6.030% kept HB THR 46 - HG2 LYS+ 81 7.143% * 2.2147% (0.15 1.0 0.52 3.57) = 2.215% kept HA SER 77 - HG2 LYS+ 81 7.143% * 1.7454% (0.19 1.0 0.33 0.02) = 1.745% kept HA CYS 123 - HG2 LYS+ 81 7.143% * 1.7454% (0.19 1.0 0.33 0.02) = 1.745% kept HA LYS+ 32 - HG2 LYS+ 81 7.143% * 1.6882% (0.07 1.0 0.83 0.02) = 1.688% kept HA CYS 123 - HG2 LYS+ 32 7.143% * 0.7818% (0.37 1.0 0.08 0.02) = 0.782% HB THR 79 - HG2 LYS+ 32 7.143% * 0.2541% (0.46 1.0 0.02 0.02) = 0.254% HA SER 77 - HG2 LYS+ 32 7.143% * 0.2040% (0.37 1.0 0.02 0.02) = 0.204% HB THR 46 - HG2 LYS+ 32 7.143% * 0.1648% (0.30 1.0 0.02 0.02) = 0.165% HA LYS+ 55 - HG2 LYS+ 81 7.143% * 0.1210% (0.22 1.0 0.02 0.02) = 0.121% HA MET 126 - HG2 LYS+ 32 7.143% * 0.0446% (0.08 1.0 0.02 0.02) = 0.045% HA MET 126 - HG2 LYS+ 81 7.143% * 0.0230% (0.04 1.0 0.02 0.02) = 0.023% Peak 2715 (4.38, 1.45, 25.03 ppm): 26 chemical-shift based assignments, quality = 0.847, support = 3.82, residual support = 41.1: * O HA LYS+ 60 - HG3 LYS+ 60 3.846% * 87.7693% (0.89 10.0 1.00 4.05 45.24) = 87.769% kept HB THR 61 - HG3 LYS+ 60 3.846% * 9.2398% (0.67 1.0 1.00 2.83 15.13) = 9.240% kept T HA ALA 37 - HG3 LYS+ 60 3.846% * 0.9320% (0.95 1.0 10.00 0.02 0.02) = 0.932% T HA ALA 37 - HG3 LYS+ 113 3.846% * 0.6673% (0.68 1.0 10.00 0.02 0.02) = 0.667% HA TRP 51 - HG3 LYS+ 60 3.846% * 0.3717% (0.87 1.0 1.00 0.09 0.02) = 0.372% HA SER 27 - HG3 LYS+ 60 3.846% * 0.0942% (0.96 1.0 1.00 0.02 0.02) = 0.094% HA ALA 91 - HG3 LYS+ 60 3.846% * 0.0918% (0.94 1.0 1.00 0.02 0.02) = 0.092% HA SER 88 - HG3 LYS+ 60 3.846% * 0.0853% (0.87 1.0 1.00 0.02 0.02) = 0.085% HA SER 27 - HG3 LYS+ 113 3.846% * 0.0675% (0.69 1.0 1.00 0.02 0.02) = 0.067% HA ALA 91 - HG3 LYS+ 113 3.846% * 0.0657% (0.67 1.0 1.00 0.02 0.02) = 0.066% HA LYS+ 60 - HG3 LYS+ 113 3.846% * 0.0628% (0.64 1.0 1.00 0.02 0.02) = 0.063% HA TRP 51 - HG3 LYS+ 113 3.846% * 0.0611% (0.62 1.0 1.00 0.02 0.14) = 0.061% HA SER 88 - HG3 LYS+ 113 3.846% * 0.0611% (0.62 1.0 1.00 0.02 0.02) = 0.061% HA2 GLY 26 - HG3 LYS+ 60 3.846% * 0.0538% (0.55 1.0 1.00 0.02 0.02) = 0.054% HA ASN 57 - HG3 LYS+ 60 3.846% * 0.0500% (0.51 1.0 1.00 0.02 0.02) = 0.050% HB THR 61 - HG3 LYS+ 113 3.846% * 0.0468% (0.48 1.0 1.00 0.02 0.02) = 0.047% HA THR 95 - HG3 LYS+ 60 3.846% * 0.0463% (0.47 1.0 1.00 0.02 0.02) = 0.046% HA2 GLY 26 - HG3 LYS+ 113 3.846% * 0.0385% (0.39 1.0 1.00 0.02 0.02) = 0.039% HA ASN 57 - HG3 LYS+ 113 3.846% * 0.0358% (0.37 1.0 1.00 0.02 0.02) = 0.036% HA PRO 104 - HG3 LYS+ 60 3.846% * 0.0357% (0.36 1.0 1.00 0.02 0.02) = 0.036% HA THR 95 - HG3 LYS+ 113 3.846% * 0.0331% (0.34 1.0 1.00 0.02 0.02) = 0.033% HA PRO 104 - HG3 LYS+ 113 3.846% * 0.0256% (0.26 1.0 1.00 0.02 0.02) = 0.026% HA PRO 112 - HG3 LYS+ 60 3.846% * 0.0212% (0.22 1.0 1.00 0.02 0.02) = 0.021% HA PRO 116 - HG3 LYS+ 60 3.846% * 0.0167% (0.17 1.0 1.00 0.02 0.02) = 0.017% HA PRO 112 - HG3 LYS+ 113 3.846% * 0.0152% (0.15 1.0 1.00 0.02 3.89) = 0.015% HA PRO 116 - HG3 LYS+ 113 3.846% * 0.0119% (0.12 1.0 1.00 0.02 0.02) = 0.012% Peak 2716 (4.36, 1.33, 25.04 ppm): 8 chemical-shift based assignments, quality = 0.0743, support = 0.428, residual support = 0.242: HA ALA 91 - HG3 LYS+ 81 12.500% * 41.1831% (0.04 1.00 0.93 0.52) = 41.183% kept HB THR 61 - HG3 LYS+ 81 12.500% * 17.6119% (0.13 1.00 0.13 0.02) = 17.612% kept T HA SER 27 - HG3 LYS+ 81 12.500% * 15.1473% (0.07 10.00 0.02 0.02) = 15.147% kept HA LYS+ 60 - HG3 LYS+ 81 12.500% * 13.1053% (0.10 1.00 0.13 0.13) = 13.105% kept T HA SER 88 - HG3 LYS+ 81 12.500% * 6.4098% (0.03 10.00 0.02 0.02) = 6.410% kept HA2 GLY 26 - HG3 LYS+ 81 12.500% * 2.8220% (0.14 1.00 0.02 0.02) = 2.822% kept HA TRP 51 - HG3 LYS+ 81 12.500% * 2.0906% (0.10 1.00 0.02 0.02) = 2.091% kept HA ALA 37 - HG3 LYS+ 81 12.500% * 1.6300% (0.08 1.00 0.02 0.02) = 1.630% kept Not enough quality. Peak unassigned. Peak 2717 (4.30, 0.91, 25.09 ppm): 39 chemical-shift based assignments, quality = 0.33, support = 0.667, residual support = 5.81: HA ILE 29 - QD1 LEU 17 2.564% * 33.7396% (0.35 1.37 17.13) = 33.740% kept HA ASP- 36 - QD1 LEU 17 2.564% * 16.6794% (0.47 0.49 0.02) = 16.679% kept HA CYS 121 - QD1 LEU 17 2.564% * 11.2931% (0.43 0.37 0.02) = 11.293% kept HB3 CYS 121 - QD1 LEU 17 2.564% * 9.3354% (0.36 0.36 0.02) = 9.335% kept HA ALA 93 - QD1 LEU 17 2.564% * 5.8086% (0.25 0.32 0.23) = 5.809% kept HA SER 85 - HG3 LYS+ 117 2.564% * 5.2256% (0.22 0.33 0.02) = 5.226% kept HA LEU 90 - QD1 LEU 17 2.564% * 2.0497% (0.27 0.11 0.17) = 2.050% kept HA ARG+ 84 - QG2 VAL 40 2.564% * 1.6938% (0.04 0.53 0.02) = 1.694% kept HA ARG+ 84 - HG3 LYS+ 117 2.564% * 1.6525% (0.22 0.10 0.02) = 1.652% kept HA ASP- 36 - HG3 LYS+ 117 2.564% * 1.1386% (0.80 0.02 0.02) = 1.139% kept HA CYS 121 - HG3 LYS+ 117 2.564% * 1.0234% (0.72 0.02 0.02) = 1.023% kept HA THR 106 - HG3 LYS+ 117 2.564% * 0.9898% (0.69 0.02 0.02) = 0.990% HA PRO 52 - QG2 VAL 40 2.564% * 0.9672% (0.04 0.30 0.02) = 0.967% HB3 CYS 121 - HG3 LYS+ 117 2.564% * 0.8721% (0.61 0.02 0.02) = 0.872% HA ILE 29 - HG3 LYS+ 117 2.564% * 0.8286% (0.58 0.02 0.02) = 0.829% HA LEU 90 - HG3 LYS+ 117 2.564% * 0.6461% (0.45 0.02 0.02) = 0.646% HA ALA 93 - HG3 LYS+ 117 2.564% * 0.6004% (0.42 0.02 0.02) = 0.600% HA THR 106 - QD1 LEU 17 2.564% * 0.5905% (0.41 0.02 0.02) = 0.591% HA VAL 122 - HG3 LYS+ 117 2.564% * 0.5554% (0.39 0.02 0.02) = 0.555% HA GLU- 56 - QG2 VAL 40 2.564% * 0.4584% (0.02 0.29 0.53) = 0.458% HA VAL 94 - QG2 VAL 40 2.564% * 0.4177% (0.05 0.12 0.02) = 0.418% HA VAL 94 - HG3 LYS+ 117 2.564% * 0.3522% (0.25 0.02 0.02) = 0.352% HA VAL 122 - QD1 LEU 17 2.564% * 0.3314% (0.23 0.02 0.02) = 0.331% HA PRO 52 - HG3 LYS+ 117 2.564% * 0.3173% (0.22 0.02 0.02) = 0.317% HA ASP- 36 - QG2 VAL 40 2.564% * 0.2301% (0.16 0.02 0.02) = 0.230% HA VAL 94 - QD1 LEU 17 2.564% * 0.2101% (0.15 0.02 7.19) = 0.210% HA CYS 121 - QG2 VAL 40 2.564% * 0.2068% (0.14 0.02 0.02) = 0.207% HA THR 106 - QG2 VAL 40 2.564% * 0.2000% (0.14 0.02 0.02) = 0.200% HA PRO 52 - QD1 LEU 17 2.564% * 0.1893% (0.13 0.02 2.64) = 0.189% HA SER 85 - QD1 LEU 17 2.564% * 0.1893% (0.13 0.02 0.02) = 0.189% HA ARG+ 84 - QD1 LEU 17 2.564% * 0.1893% (0.13 0.02 1.76) = 0.189% HB3 CYS 121 - QG2 VAL 40 2.564% * 0.1762% (0.12 0.02 0.02) = 0.176% HA ILE 29 - QG2 VAL 40 2.564% * 0.1674% (0.12 0.02 0.02) = 0.167% HA GLU- 56 - HG3 LYS+ 117 2.564% * 0.1544% (0.11 0.02 0.02) = 0.154% HA LEU 90 - QG2 VAL 40 2.564% * 0.1305% (0.09 0.02 0.02) = 0.131% HA ALA 93 - QG2 VAL 40 2.564% * 0.1213% (0.08 0.02 0.02) = 0.121% HA VAL 122 - QG2 VAL 40 2.564% * 0.1122% (0.08 0.02 0.02) = 0.112% HA GLU- 56 - QD1 LEU 17 2.564% * 0.0921% (0.06 0.02 0.02) = 0.092% HA SER 85 - QG2 VAL 40 2.564% * 0.0641% (0.04 0.02 0.02) = 0.064% Peak 2718 (4.27, 1.43, 25.01 ppm): 42 chemical-shift based assignments, quality = 0.497, support = 0.618, residual support = 1.96: HA PRO 59 - HG3 LYS+ 60 2.381% * 14.9063% (0.20 1.89 12.86) = 14.906% kept HA GLU- 56 - HG3 LYS+ 113 2.381% * 14.7049% (0.99 0.38 0.02) = 14.705% kept HA GLU- 75 - HG3 LYS+ 60 2.381% * 14.5051% (0.48 0.77 0.18) = 14.505% kept HA ALA 11 - HG3 LYS+ 113 2.381% * 11.3076% (0.64 0.44 0.02) = 11.308% kept HA GLU- 64 - HG3 LYS+ 113 2.381% * 6.5516% (0.99 0.17 0.02) = 6.552% kept HA ASN 76 - HG3 LYS+ 60 2.381% * 6.3558% (0.35 0.46 0.15) = 6.356% kept HA PRO 59 - HG3 LYS+ 113 2.381% * 5.5880% (0.41 0.35 0.02) = 5.588% kept HA GLU- 64 - HG3 LYS+ 60 2.381% * 5.3702% (0.48 0.28 0.02) = 5.370% kept HA GLU- 54 - HG3 LYS+ 113 2.381% * 5.1720% (0.20 0.66 0.02) = 5.172% kept HA PRO 52 - HG3 LYS+ 113 2.381% * 3.8263% (0.86 0.11 0.02) = 3.826% kept HB3 SER 49 - HG3 LYS+ 60 2.381% * 1.4329% (0.11 0.34 0.02) = 1.433% kept HA GLU- 75 - HG3 LYS+ 113 2.381% * 0.7705% (0.98 0.02 0.02) = 0.771% HA SER 85 - HG3 LYS+ 113 2.381% * 0.6819% (0.86 0.02 0.02) = 0.682% HA ARG+ 84 - HG3 LYS+ 113 2.381% * 0.6819% (0.86 0.02 0.02) = 0.682% HA VAL 94 - HG3 LYS+ 113 2.381% * 0.6566% (0.83 0.02 0.02) = 0.657% HA ASN 119 - HG3 LYS+ 113 2.381% * 0.6007% (0.76 0.02 0.02) = 0.601% HA GLU- 107 - HG3 LYS+ 113 2.381% * 0.6007% (0.76 0.02 0.02) = 0.601% HA ASN 76 - HG3 LYS+ 113 2.381% * 0.5708% (0.72 0.02 0.02) = 0.571% HA VAL 122 - HG3 LYS+ 113 2.381% * 0.5085% (0.64 0.02 0.02) = 0.509% HA LEU 90 - HG3 LYS+ 113 2.381% * 0.4450% (0.56 0.02 0.02) = 0.445% HA GLU- 56 - HG3 LYS+ 60 2.381% * 0.3796% (0.48 0.02 0.02) = 0.380% HA SER 85 - HG3 LYS+ 60 2.381% * 0.3322% (0.42 0.02 0.02) = 0.332% HA PRO 52 - HG3 LYS+ 60 2.381% * 0.3322% (0.42 0.02 0.02) = 0.332% HA ARG+ 84 - HG3 LYS+ 60 2.381% * 0.3322% (0.42 0.02 0.02) = 0.332% HA VAL 94 - HG3 LYS+ 60 2.381% * 0.3199% (0.40 0.02 0.02) = 0.320% HB3 CYS 121 - HG3 LYS+ 113 2.381% * 0.2950% (0.37 0.02 0.02) = 0.295% HA GLU- 107 - HG3 LYS+ 60 2.381% * 0.2927% (0.37 0.02 0.02) = 0.293% HA ASN 119 - HG3 LYS+ 60 2.381% * 0.2927% (0.37 0.02 0.02) = 0.293% HA ALA 11 - HG3 LYS+ 60 2.381% * 0.2478% (0.31 0.02 0.02) = 0.248% HA VAL 122 - HG3 LYS+ 60 2.381% * 0.2478% (0.31 0.02 0.02) = 0.248% HA THR 106 - HG3 LYS+ 113 2.381% * 0.2186% (0.28 0.02 0.02) = 0.219% HA LEU 90 - HG3 LYS+ 60 2.381% * 0.2168% (0.27 0.02 0.02) = 0.217% HA CYS 121 - HG3 LYS+ 113 2.381% * 0.1960% (0.25 0.02 0.02) = 0.196% HB3 SER 49 - HG3 LYS+ 113 2.381% * 0.1750% (0.22 0.02 0.02) = 0.175% HA GLU- 10 - HG3 LYS+ 113 2.381% * 0.1556% (0.20 0.02 0.02) = 0.156% HA LYS+ 108 - HG3 LYS+ 113 2.381% * 0.1556% (0.20 0.02 0.02) = 0.156% HB3 CYS 121 - HG3 LYS+ 60 2.381% * 0.1437% (0.18 0.02 0.02) = 0.144% HA THR 106 - HG3 LYS+ 60 2.381% * 0.1065% (0.13 0.02 0.02) = 0.106% HA CYS 121 - HG3 LYS+ 60 2.381% * 0.0955% (0.12 0.02 0.02) = 0.095% HA GLU- 10 - HG3 LYS+ 60 2.381% * 0.0758% (0.10 0.02 0.02) = 0.076% HA LYS+ 108 - HG3 LYS+ 60 2.381% * 0.0758% (0.10 0.02 0.02) = 0.076% HA GLU- 54 - HG3 LYS+ 60 2.381% * 0.0758% (0.10 0.02 0.02) = 0.076% Peak 2719 (3.44, 3.44, 66.51 ppm): 2 diagonal assignments: * HA VAL 62 - HA VAL 62 (0.95) kept HA VAL 40 - HA VAL 40 (0.28) kept Peak 2721 (2.96, 1.42, 25.07 ppm): 6 chemical-shift based assignments, quality = 0.191, support = 0.992, residual support = 1.84: O HE3 LYS+ 113 - HG3 LYS+ 113 16.667% * 99.1871% (0.19 10.0 1.00 1.85) = 99.187% kept HB2 PHE 21 - HG3 LYS+ 113 16.667% * 0.4186% (0.41 1.0 0.02 0.02) = 0.419% HE2 LYS+ 117 - HG3 LYS+ 113 16.667% * 0.1771% (0.17 1.0 0.02 0.02) = 0.177% HB2 PHE 21 - HG3 LYS+ 60 16.667% * 0.1145% (0.11 1.0 0.02 0.02) = 0.115% HE3 LYS+ 113 - HG3 LYS+ 60 16.667% * 0.0543% (0.05 1.0 0.02 0.02) = 0.054% HE2 LYS+ 117 - HG3 LYS+ 60 16.667% * 0.0485% (0.05 1.0 0.02 0.02) = 0.048% Not enough quality. Peak unassigned. Peak 2722 (2.92, 1.34, 25.00 ppm): 5 chemical-shift based assignments, quality = 0.158, support = 1.81, residual support = 32.3: * O HE3 LYS+ 81 - HG3 LYS+ 81 20.000% * 62.0061% (0.13 10.0 1.00 2.47 51.84) = 62.006% kept T HB2 HIS+ 98 - HG3 LYS+ 81 20.000% * 36.4285% (0.20 1.0 10.00 0.77 0.39) = 36.429% kept T HE3 LYS+ 60 - HG3 LYS+ 81 20.000% * 1.3800% (0.29 1.0 10.00 0.02 0.13) = 1.380% kept HB2 CYS 121 - HG3 LYS+ 81 20.000% * 0.1335% (0.28 1.0 1.00 0.02 0.02) = 0.133% HB3 ASN 57 - HG3 LYS+ 81 20.000% * 0.0519% (0.11 1.0 1.00 0.02 0.02) = 0.052% Peak 2723 (2.90, 1.29, 24.93 ppm): 10 chemical-shift based assignments, quality = 0.539, support = 1.83, residual support = 49.8: * O HE3 LYS+ 81 - HG2 LYS+ 81 10.000% * 96.0899% (0.55 10.0 1.89 51.84) = 96.090% kept HB3 ASN 57 - HG2 LYS+ 32 10.000% * 1.2520% (0.60 1.0 0.23 0.02) = 1.252% kept HB2 HIS+ 98 - HG2 LYS+ 81 10.000% * 1.2190% (0.49 1.0 0.27 0.39) = 1.219% kept HE3 LYS+ 60 - HG2 LYS+ 81 10.000% * 0.9555% (0.25 1.0 0.42 0.13) = 0.956% HE3 LYS+ 81 - HG2 LYS+ 32 10.000% * 0.1113% (0.60 1.0 0.02 0.02) = 0.111% HB3 ASN 57 - HG2 LYS+ 81 10.000% * 0.1015% (0.55 1.0 0.02 0.02) = 0.101% HB2 HIS+ 98 - HG2 LYS+ 32 10.000% * 0.1000% (0.54 1.0 0.02 0.02) = 0.100% HB2 CYS 121 - HG2 LYS+ 32 10.000% * 0.0631% (0.34 1.0 0.02 0.02) = 0.063% HB2 CYS 121 - HG2 LYS+ 81 10.000% * 0.0576% (0.31 1.0 0.02 0.02) = 0.058% HE3 LYS+ 60 - HG2 LYS+ 32 10.000% * 0.0500% (0.27 1.0 0.02 0.16) = 0.050% Peak 2727 (2.06, 3.43, 66.46 ppm): 24 chemical-shift based assignments, quality = 0.838, support = 2.16, residual support = 31.2: * O HB VAL 62 - HA VAL 62 4.167% * 96.2160% (0.85 10.0 2.21 32.46) = 96.216% kept HG2 PRO 112 - HA VAL 62 4.167% * 3.0943% (0.67 1.0 0.82 0.10) = 3.094% kept HB3 GLU- 75 - HA VAL 62 4.167% * 0.0884% (0.78 1.0 0.02 0.02) = 0.088% HB ILE 101 - HA VAL 62 4.167% * 0.0871% (0.77 1.0 0.02 0.80) = 0.087% HB2 GLU- 45 - HA VAL 62 4.167% * 0.0716% (0.63 1.0 0.02 0.50) = 0.072% HB3 LYS+ 120 - HA VAL 62 4.167% * 0.0674% (0.60 1.0 0.02 0.02) = 0.067% HG3 PRO 86 - HA VAL 62 4.167% * 0.0590% (0.52 1.0 0.02 0.02) = 0.059% HG2 GLN 16 - HA VAL 62 4.167% * 0.0507% (0.45 1.0 0.02 0.02) = 0.051% HD3 LYS+ 110 - HA VAL 62 4.167% * 0.0290% (0.26 1.0 0.02 0.02) = 0.029% HB VAL 62 - HA VAL 40 4.167% * 0.0240% (0.21 1.0 0.02 0.02) = 0.024% HB3 LYS+ 110 - HA VAL 62 4.167% * 0.0232% (0.20 1.0 0.02 0.02) = 0.023% HB2 LYS+ 110 - HA VAL 62 4.167% * 0.0232% (0.20 1.0 0.02 0.02) = 0.023% HB3 GLU- 75 - HA VAL 40 4.167% * 0.0220% (0.19 1.0 0.02 0.87) = 0.022% HB ILE 101 - HA VAL 40 4.167% * 0.0217% (0.19 1.0 0.02 0.59) = 0.022% HG2 PRO 112 - HA VAL 40 4.167% * 0.0189% (0.17 1.0 0.02 0.02) = 0.019% HB VAL 125 - HA VAL 62 4.167% * 0.0183% (0.16 1.0 0.02 0.02) = 0.018% HB2 GLU- 45 - HA VAL 40 4.167% * 0.0178% (0.16 1.0 0.02 0.02) = 0.018% HB3 LYS+ 120 - HA VAL 40 4.167% * 0.0168% (0.15 1.0 0.02 0.02) = 0.017% HG3 PRO 86 - HA VAL 40 4.167% * 0.0147% (0.13 1.0 0.02 0.02) = 0.015% HG2 GLN 16 - HA VAL 40 4.167% * 0.0126% (0.11 1.0 0.02 0.22) = 0.013% HD3 LYS+ 110 - HA VAL 40 4.167% * 0.0072% (0.06 1.0 0.02 0.02) = 0.007% HB3 LYS+ 110 - HA VAL 40 4.167% * 0.0058% (0.05 1.0 0.02 0.02) = 0.006% HB2 LYS+ 110 - HA VAL 40 4.167% * 0.0058% (0.05 1.0 0.02 0.02) = 0.006% HB VAL 125 - HA VAL 40 4.167% * 0.0045% (0.04 1.0 0.02 0.02) = 0.005% Peak 2739 (1.67, 1.43, 24.98 ppm): 18 chemical-shift based assignments, quality = 0.844, support = 0.569, residual support = 0.89: T HB3 MET 126 - HG3 LYS+ 113 5.556% * 78.4491% (0.93 10.00 0.68 1.09) = 78.449% kept T HG2 PRO 52 - HG3 LYS+ 113 5.556% * 7.7079% (0.56 10.00 0.11 0.02) = 7.708% kept HD3 LYS+ 55 - HG3 LYS+ 113 5.556% * 4.0143% (0.82 1.00 0.40 0.89) = 4.014% kept HB ILE 100 - HG3 LYS+ 60 5.556% * 2.0627% (0.47 1.00 0.36 0.02) = 2.063% kept T HB ILE 100 - HG3 LYS+ 113 5.556% * 1.9427% (0.79 10.00 0.02 0.02) = 1.943% kept T HG3 ARG+ 84 - HG3 LYS+ 113 5.556% * 1.3736% (0.56 10.00 0.02 0.02) = 1.374% kept T HB3 MET 126 - HG3 LYS+ 60 5.556% * 1.3728% (0.56 10.00 0.02 0.02) = 1.373% kept T HG3 ARG+ 84 - HG3 LYS+ 60 5.556% * 0.8216% (0.33 10.00 0.02 0.02) = 0.822% T HG2 PRO 52 - HG3 LYS+ 60 5.556% * 0.8216% (0.33 10.00 0.02 0.02) = 0.822% HB3 LYS+ 81 - HG3 LYS+ 113 5.556% * 0.2421% (0.98 1.00 0.02 0.02) = 0.242% HB3 MET 97 - HG3 LYS+ 113 5.556% * 0.2176% (0.88 1.00 0.02 0.02) = 0.218% HB3 LYS+ 66 - HG3 LYS+ 113 5.556% * 0.1854% (0.75 1.00 0.02 0.02) = 0.185% HG13 ILE 19 - HG3 LYS+ 113 5.556% * 0.1762% (0.71 1.00 0.02 0.02) = 0.176% HB3 LYS+ 81 - HG3 LYS+ 60 5.556% * 0.1448% (0.59 1.00 0.02 0.13) = 0.145% HB3 MET 97 - HG3 LYS+ 60 5.556% * 0.1301% (0.53 1.00 0.02 0.02) = 0.130% HD3 LYS+ 55 - HG3 LYS+ 60 5.556% * 0.1212% (0.49 1.00 0.02 0.02) = 0.121% HB3 LYS+ 66 - HG3 LYS+ 60 5.556% * 0.1109% (0.45 1.00 0.02 0.02) = 0.111% HG13 ILE 19 - HG3 LYS+ 60 5.556% * 0.1054% (0.43 1.00 0.02 0.42) = 0.105% Peak 2763 (1.43, 1.43, 24.98 ppm): 2 diagonal assignments: * HG3 LYS+ 113 - HG3 LYS+ 113 (0.95) kept HG3 LYS+ 60 - HG3 LYS+ 60 (0.11) kept Peak 2776 (1.15, 1.46, 25.00 ppm): 14 chemical-shift based assignments, quality = 0.733, support = 1.04, residual support = 9.56: HG3 PRO 59 - HG3 LYS+ 60 7.143% * 73.3945% (0.86 1.32 12.86) = 73.395% kept HB2 LEU 74 - HG3 LYS+ 60 7.143% * 8.2361% (0.25 0.52 1.30) = 8.236% kept QB ALA 33 - HG3 LYS+ 60 7.143% * 5.5904% (0.88 0.10 0.02) = 5.590% kept HG3 PRO 59 - HG3 LYS+ 113 7.143% * 4.6148% (0.42 0.17 0.02) = 4.615% kept HG3 LYS+ 32 - HG3 LYS+ 60 7.143% * 4.4361% (0.37 0.18 0.16) = 4.436% kept HB2 LEU 43 - HG3 LYS+ 60 7.143% * 0.8268% (0.64 0.02 0.02) = 0.827% QG2 THR 106 - HG3 LYS+ 60 7.143% * 0.6724% (0.52 0.02 0.02) = 0.672% QB ALA 33 - HG3 LYS+ 113 7.143% * 0.5653% (0.44 0.02 0.02) = 0.565% HB2 LEU 43 - HG3 LYS+ 113 7.143% * 0.4078% (0.31 0.02 0.02) = 0.408% HD3 LYS+ 111 - HG3 LYS+ 60 7.143% * 0.3554% (0.27 0.02 0.02) = 0.355% QG2 THR 106 - HG3 LYS+ 113 7.143% * 0.3316% (0.26 0.02 0.02) = 0.332% HG3 LYS+ 32 - HG3 LYS+ 113 7.143% * 0.2366% (0.18 0.02 0.02) = 0.237% HD3 LYS+ 111 - HG3 LYS+ 113 7.143% * 0.1752% (0.14 0.02 0.02) = 0.175% HB2 LEU 74 - HG3 LYS+ 113 7.143% * 0.1572% (0.12 0.02 0.02) = 0.157% Peak 2783 (1.04, 1.03, 24.97 ppm): 1 diagonal assignment: * HG3 LYS+ 20 - HG3 LYS+ 20 (0.96) kept Peak 2798 (0.87, 0.86, 25.07 ppm): 2 diagonal assignments: * QD1 LEU 90 - QD1 LEU 90 (0.94) kept HG2 LYS+ 117 - HG2 LYS+ 117 (0.06) kept Peak 2813 (0.42, 3.44, 66.50 ppm): 4 chemical-shift based assignments, quality = 0.418, support = 2.66, residual support = 9.32: * T QD1 ILE 48 - HA VAL 62 25.000% * 53.0300% (0.42 10.00 3.60 9.55) = 53.030% kept T HG12 ILE 48 - HA VAL 62 25.000% * 44.5550% (0.42 10.00 1.68 9.55) = 44.555% kept T HG12 ILE 48 - HA VAL 40 25.000% * 2.2289% (0.15 10.00 0.24 0.02) = 2.229% kept T QD1 ILE 48 - HA VAL 40 25.000% * 0.1861% (0.15 10.00 0.02 0.02) = 0.186% Peak 2824 (8.51, 0.93, 24.65 ppm): 6 chemical-shift based assignments, quality = 0.0381, support = 3.58, residual support = 27.6: * HN GLU- 18 - QD1 LEU 17 16.667% * 83.5280% (0.03 4.25 33.07) = 83.528% kept HN GLU- 10 - QG2 VAL 40 16.667% * 6.6475% (0.12 0.09 0.02) = 6.647% kept HN LYS+ 113 - QD1 LEU 17 16.667% * 5.0667% (0.02 0.37 0.02) = 5.067% kept HN GLU- 18 - QG2 VAL 40 16.667% * 3.5169% (0.07 0.08 0.02) = 3.517% kept HN GLU- 10 - QD1 LEU 17 16.667% * 0.6630% (0.05 0.02 0.02) = 0.663% HN LYS+ 113 - QG2 VAL 40 16.667% * 0.5778% (0.05 0.02 0.02) = 0.578% Peak 2826 (4.59, 1.48, 24.80 ppm): 6 chemical-shift based assignments, quality = 0.216, support = 2.95, residual support = 25.7: * O HA LYS+ 72 - HG3 LYS+ 72 16.667% * 99.6918% (0.22 10.0 2.96 25.75) = 99.692% kept HA LYS+ 72 - HG3 LYS+ 60 16.667% * 0.0773% (0.17 1.0 0.02 0.02) = 0.077% HA ASP- 25 - HG3 LYS+ 72 16.667% * 0.0691% (0.15 1.0 0.02 0.02) = 0.069% HA LYS+ 78 - HG3 LYS+ 72 16.667% * 0.0610% (0.13 1.0 0.02 0.02) = 0.061% HA ASP- 25 - HG3 LYS+ 60 16.667% * 0.0536% (0.12 1.0 0.02 0.02) = 0.054% HA LYS+ 78 - HG3 LYS+ 60 16.667% * 0.0473% (0.10 1.0 0.02 0.02) = 0.047% Peak 2827 (4.54, 0.93, 24.69 ppm): 8 chemical-shift based assignments, quality = 0.194, support = 4.95, residual support = 84.1: * HA LEU 17 - QD1 LEU 17 12.500% * 95.0228% (0.20 5.19 88.51) = 95.023% kept HA LYS+ 78 - QG2 VAL 40 12.500% * 3.0765% (0.05 0.70 0.43) = 3.076% kept HA LEU 17 - QG2 VAL 40 12.500% * 0.4719% (0.26 0.02 0.02) = 0.472% HA ALA 103 - QG2 VAL 40 12.500% * 0.4474% (0.25 0.02 0.02) = 0.447% HB THR 46 - QD1 LEU 17 12.500% * 0.4422% (0.05 0.09 0.02) = 0.442% HA ALA 103 - QD1 LEU 17 12.500% * 0.3472% (0.19 0.02 0.02) = 0.347% HB THR 46 - QG2 VAL 40 12.500% * 0.1244% (0.07 0.02 0.02) = 0.124% HA LYS+ 78 - QD1 LEU 17 12.500% * 0.0678% (0.04 0.02 0.02) = 0.068% Peak 2828 (4.48, 1.13, 24.84 ppm): 9 chemical-shift based assignments, quality = 0.939, support = 3.2, residual support = 37.9: * O HA LYS+ 32 - HG3 LYS+ 32 11.111% * 99.5235% (0.94 10.0 3.22 38.07) = 99.524% kept HA MET 126 - HG3 LYS+ 32 11.111% * 0.0984% (0.93 1.0 0.02 0.02) = 0.098% HA ILE 100 - HG3 LYS+ 32 11.111% * 0.0871% (0.83 1.0 0.02 0.02) = 0.087% HA GLN 102 - HG3 LYS+ 32 11.111% * 0.0871% (0.83 1.0 0.02 1.39) = 0.087% HA CYS 123 - HG3 LYS+ 32 11.111% * 0.0609% (0.58 1.0 0.02 0.02) = 0.061% HA SER 77 - HG3 LYS+ 32 11.111% * 0.0609% (0.58 1.0 0.02 0.02) = 0.061% HA GLU- 50 - HG3 LYS+ 32 11.111% * 0.0343% (0.32 1.0 0.02 0.02) = 0.034% HB THR 79 - HG3 LYS+ 32 11.111% * 0.0279% (0.26 1.0 0.02 0.02) = 0.028% HA MET 118 - HG3 LYS+ 32 11.111% * 0.0199% (0.19 1.0 0.02 0.02) = 0.020% Peak 2829 (3.13, 1.50, 24.80 ppm): 5 chemical-shift based assignments, quality = 0.397, support = 1.19, residual support = 25.2: * O T HE3 LYS+ 72 - HG3 LYS+ 72 20.000% * 97.9698% (0.41 10.0 10.00 1.22 25.75) = 97.970% kept T HE3 LYS+ 108 - HG3 LYS+ 72 20.000% * 0.9689% (0.40 1.0 10.00 0.02 0.02) = 0.969% T HE3 LYS+ 117 - HG3 LYS+ 72 20.000% * 0.9689% (0.40 1.0 10.00 0.02 0.02) = 0.969% HB3 HIS+ 98 - HG3 LYS+ 72 20.000% * 0.0481% (0.20 1.0 1.00 0.02 0.02) = 0.048% HB3 ASP- 25 - HG3 LYS+ 72 20.000% * 0.0443% (0.18 1.0 1.00 0.02 0.02) = 0.044% Peak 2830 (2.81, 1.12, 24.83 ppm): 6 chemical-shift based assignments, quality = 0.868, support = 2.56, residual support = 37.2: * O HE3 LYS+ 32 - HG3 LYS+ 32 16.667% * 97.7524% (0.87 10.0 2.61 38.07) = 97.752% kept HA2 GLY 58 - HG3 LYS+ 32 16.667% * 1.9630% (0.85 1.0 0.41 0.02) = 1.963% kept HE3 LYS+ 111 - HG3 LYS+ 32 16.667% * 0.1033% (0.92 1.0 0.02 0.02) = 0.103% HB3 ASN 89 - HG3 LYS+ 32 16.667% * 0.0997% (0.89 1.0 0.02 0.02) = 0.100% HB3 ASN 119 - HG3 LYS+ 32 16.667% * 0.0585% (0.52 1.0 0.02 0.02) = 0.059% HB2 ASN 119 - HG3 LYS+ 32 16.667% * 0.0230% (0.21 1.0 0.02 0.02) = 0.023% Peak 2834 (1.57, 1.28, 24.86 ppm): 22 chemical-shift based assignments, quality = 0.524, support = 2.55, residual support = 42.0: O HD3 LYS+ 81 - HG2 LYS+ 81 4.545% * 45.5588% (0.65 10.0 1.00 1.89 51.84) = 45.559% kept * O T HB3 LYS+ 32 - HG2 LYS+ 32 4.545% * 36.9499% (0.50 10.0 10.00 3.42 38.07) = 36.950% kept O HD3 LYS+ 32 - HG2 LYS+ 32 4.545% * 11.3036% (0.15 10.0 1.00 3.60 38.07) = 11.304% kept T HB3 LYS+ 32 - HG2 LYS+ 81 4.545% * 5.5458% (0.50 1.0 10.00 0.30 0.02) = 5.546% kept HB ILE 19 - HG2 LYS+ 81 4.545% * 0.0556% (0.75 1.0 1.00 0.02 0.02) = 0.056% HB ILE 19 - HG2 LYS+ 32 4.545% * 0.0551% (0.74 1.0 1.00 0.02 0.49) = 0.055% HG LEU 17 - HG2 LYS+ 81 4.545% * 0.0545% (0.73 1.0 1.00 0.02 0.02) = 0.054% HG LEU 17 - HG2 LYS+ 32 4.545% * 0.0540% (0.73 1.0 1.00 0.02 0.59) = 0.054% HD3 LYS+ 60 - HG2 LYS+ 81 4.545% * 0.0517% (0.70 1.0 1.00 0.02 0.13) = 0.052% HD3 LYS+ 60 - HG2 LYS+ 32 4.545% * 0.0512% (0.69 1.0 1.00 0.02 0.16) = 0.051% HD3 LYS+ 81 - HG2 LYS+ 32 4.545% * 0.0477% (0.64 1.0 1.00 0.02 0.02) = 0.048% HG12 ILE 29 - HG2 LYS+ 81 4.545% * 0.0326% (0.44 1.0 1.00 0.02 0.02) = 0.033% QB ALA 42 - HG2 LYS+ 81 4.545% * 0.0326% (0.44 1.0 1.00 0.02 0.02) = 0.033% QB ALA 42 - HG2 LYS+ 32 4.545% * 0.0323% (0.44 1.0 1.00 0.02 0.02) = 0.032% HG12 ILE 29 - HG2 LYS+ 32 4.545% * 0.0323% (0.44 1.0 1.00 0.02 0.02) = 0.032% HB3 LEU 90 - HG2 LYS+ 81 4.545% * 0.0280% (0.38 1.0 1.00 0.02 0.02) = 0.028% HB3 LEU 90 - HG2 LYS+ 32 4.545% * 0.0278% (0.37 1.0 1.00 0.02 0.21) = 0.028% HG13 ILE 29 - HG2 LYS+ 81 4.545% * 0.0216% (0.29 1.0 1.00 0.02 0.02) = 0.022% HG13 ILE 29 - HG2 LYS+ 32 4.545% * 0.0214% (0.29 1.0 1.00 0.02 0.02) = 0.021% QG2 THR 24 - HG2 LYS+ 81 4.545% * 0.0160% (0.22 1.0 1.00 0.02 0.02) = 0.016% QG2 THR 24 - HG2 LYS+ 32 4.545% * 0.0159% (0.21 1.0 1.00 0.02 0.02) = 0.016% HD3 LYS+ 32 - HG2 LYS+ 81 4.545% * 0.0114% (0.15 1.0 1.00 0.02 0.02) = 0.011% Peak 2839 (1.27, 1.13, 24.80 ppm): 6 chemical-shift based assignments, quality = 0.968, support = 4.11, residual support = 36.5: * O HG2 LYS+ 32 - HG3 LYS+ 32 16.667% * 95.7274% (0.97 10.0 4.27 38.07) = 95.727% kept HG2 LYS+ 81 - HG3 LYS+ 32 16.667% * 2.3148% (0.89 1.0 0.53 0.02) = 2.315% kept HG13 ILE 101 - HG3 LYS+ 32 16.667% * 1.8072% (0.83 1.0 0.44 1.03) = 1.807% kept HB3 LEU 74 - HG3 LYS+ 32 16.667% * 0.0968% (0.98 1.0 0.02 0.57) = 0.097% HB2 LYS+ 55 - HG3 LYS+ 32 16.667% * 0.0367% (0.37 1.0 0.02 1.22) = 0.037% QB ALA 103 - HG3 LYS+ 32 16.667% * 0.0171% (0.17 1.0 0.02 0.02) = 0.017% Peak 2840 (1.13, 1.13, 24.80 ppm): 1 diagonal assignment: * HG3 LYS+ 32 - HG3 LYS+ 32 (0.96) kept Peak 2843 (8.73, 0.90, 24.44 ppm): 4 chemical-shift based assignments, quality = 0.235, support = 2.49, residual support = 22.9: * HN VAL 40 - QG2 VAL 40 25.000% * 52.5803% (0.16 3.92 43.10) = 52.580% kept HN GLU- 56 - QG2 VAL 40 25.000% * 30.1726% (0.33 1.07 0.53) = 30.173% kept HN ILE 101 - QG2 VAL 40 25.000% * 17.1466% (0.32 0.63 0.59) = 17.147% kept HN VAL 62 - QG2 VAL 40 25.000% * 0.1006% (0.06 0.02 0.02) = 0.101% Peak 2844 (6.75, 0.90, 24.46 ppm): 2 chemical-shift based assignments, quality = 0.333, support = 0.662, residual support = 0.347: * QE TYR 83 - QG2 VAL 40 50.000% * 87.3668% (0.32 0.75 0.39) = 87.367% kept HZ3 TRP 51 - QG2 VAL 40 50.000% * 12.6332% (0.42 0.08 0.02) = 12.633% kept Peak 2845 (3.45, 0.89, 24.48 ppm): 6 chemical-shift based assignments, quality = 0.453, support = 3.03, residual support = 41.6: * O HA VAL 40 - QG2 VAL 40 16.667% * 96.5799% (0.46 10.0 1.00 3.13 43.10) = 96.580% kept HA VAL 80 - QG2 VAL 40 16.667% * 2.6347% (0.45 1.0 1.00 0.56 0.12) = 2.635% kept T HA ILE 48 - QG2 VAL 40 16.667% * 0.5780% (0.27 1.0 10.00 0.02 0.02) = 0.578% HA VAL 62 - QG2 VAL 40 16.667% * 0.0916% (0.43 1.0 1.00 0.02 0.02) = 0.092% HD3 PRO 31 - QG2 VAL 40 16.667% * 0.0660% (0.31 1.0 1.00 0.02 0.02) = 0.066% HA1 GLY 71 - QG2 VAL 40 16.667% * 0.0497% (0.24 1.0 1.00 0.02 0.02) = 0.050% Peak 2846 (2.49, 0.90, 24.47 ppm): 6 chemical-shift based assignments, quality = 0.443, support = 3.39, residual support = 43.0: * O HB VAL 40 - QG2 VAL 40 16.667% * 99.7075% (0.44 10.0 3.40 43.10) = 99.708% kept HG3 MET 118 - QG2 VAL 40 16.667% * 0.0977% (0.44 1.0 0.02 0.02) = 0.098% HG3 PRO 35 - QG2 VAL 40 16.667% * 0.0977% (0.44 1.0 0.02 0.02) = 0.098% HG2 PRO 112 - QG2 VAL 40 16.667% * 0.0408% (0.18 1.0 0.02 0.02) = 0.041% HB3 PRO 59 - QG2 VAL 40 16.667% * 0.0340% (0.15 1.0 0.02 0.92) = 0.034% HG3 GLU- 45 - QG2 VAL 40 16.667% * 0.0222% (0.10 1.0 0.02 0.02) = 0.022% Peak 2847 (1.48, 3.43, 65.83 ppm): 9 chemical-shift based assignments, quality = 0.33, support = 4.77, residual support = 127.8: * O T HG13 ILE 48 - HA ILE 48 11.111% * 85.2519% (0.29 10.0 10.00 5.41 149.82) = 85.252% kept HB3 LYS+ 44 - HA ILE 48 11.111% * 10.7798% (0.58 1.0 1.00 1.28 0.51) = 10.780% kept HG3 PRO 52 - HA ILE 48 11.111% * 3.4800% (0.44 1.0 1.00 0.55 0.02) = 3.480% kept QB ALA 70 - HA ILE 48 11.111% * 0.1657% (0.57 1.0 1.00 0.02 0.02) = 0.166% HB3 LEU 67 - HA ILE 48 11.111% * 0.1402% (0.48 1.0 1.00 0.02 0.17) = 0.140% HG2 PRO 59 - HA ILE 48 11.111% * 0.0541% (0.19 1.0 1.00 0.02 0.02) = 0.054% HG3 LYS+ 60 - HA ILE 48 11.111% * 0.0541% (0.19 1.0 1.00 0.02 1.89) = 0.054% HD3 LYS+ 108 - HA ILE 48 11.111% * 0.0437% (0.15 1.0 1.00 0.02 0.02) = 0.044% HB2 LYS+ 72 - HA ILE 48 11.111% * 0.0307% (0.11 1.0 1.00 0.02 0.13) = 0.031% Peak 2851 (0.72, 3.43, 65.93 ppm): 10 chemical-shift based assignments, quality = 0.262, support = 5.9, residual support = 129.2: * O QG2 ILE 48 - HA ILE 48 10.000% * 86.1783% (0.27 10.0 6.68 149.82) = 86.178% kept QG2 VAL 65 - HA ILE 48 10.000% * 3.9687% (0.25 1.0 0.98 1.26) = 3.969% kept QG1 VAL 65 - HA ILE 48 10.000% * 3.8171% (0.14 1.0 1.67 1.26) = 3.817% kept HG3 LYS+ 44 - HA ILE 48 10.000% * 2.8110% (0.16 1.0 1.13 0.51) = 2.811% kept HG LEU 74 - HA ILE 48 10.000% * 1.5067% (0.35 1.0 0.27 0.02) = 1.507% kept QG2 THR 96 - HA ILE 48 10.000% * 1.0461% (0.21 1.0 0.31 0.02) = 1.046% kept QG2 ILE 101 - HA ILE 48 10.000% * 0.4407% (0.27 1.0 0.10 0.14) = 0.441% QG1 VAL 40 - HA ILE 48 10.000% * 0.0927% (0.29 1.0 0.02 0.02) = 0.093% QD1 ILE 68 - HA ILE 48 10.000% * 0.0889% (0.28 1.0 0.02 0.02) = 0.089% HG3 LYS+ 66 - HA ILE 48 10.000% * 0.0498% (0.16 1.0 0.02 0.02) = 0.050% Peak 2852 (9.38, 4.09, 65.46 ppm): 1 chemical-shift based assignment, quality = 0.477, support = 3.75, residual support = 27.7: * O HN THR 24 - HA THR 24 100.000% *100.0000% (0.48 10.0 3.75 27.69) = 100.000% kept Peak 2853 (4.98, 3.54, 65.41 ppm): 5 chemical-shift based assignments, quality = 0.721, support = 2.57, residual support = 19.6: * O HA SER 69 - HB2 SER 69 20.000% * 88.6015% (0.75 10.0 2.59 21.26) = 88.602% kept HA ILE 68 - HB2 SER 69 20.000% * 7.2043% (0.36 1.0 3.35 10.87) = 7.204% kept HA MET 97 - HB2 SER 69 20.000% * 4.1246% (0.71 1.0 0.99 0.02) = 4.125% kept HA PRO 31 - HB2 SER 69 20.000% * 0.0505% (0.43 1.0 0.02 0.02) = 0.050% HA HIS+ 98 - HB2 SER 69 20.000% * 0.0190% (0.16 1.0 0.02 0.02) = 0.019% Peak 2854 (4.44, 4.09, 65.50 ppm): 7 chemical-shift based assignments, quality = 0.919, support = 2.3, residual support = 27.6: * O HB THR 24 - HA THR 24 14.286% * 99.6920% (0.92 10.0 2.31 27.69) = 99.692% kept HA LYS+ 111 - HA THR 24 14.286% * 0.0977% (0.90 1.0 0.02 0.02) = 0.098% HA MET 118 - HA THR 24 14.286% * 0.0668% (0.62 1.0 0.02 0.02) = 0.067% HA LYS+ 66 - HA THR 24 14.286% * 0.0503% (0.47 1.0 0.02 0.02) = 0.050% HA GLU- 50 - HA THR 24 14.286% * 0.0463% (0.43 1.0 0.02 0.02) = 0.046% HA HIS+ 14 - HA THR 24 14.286% * 0.0287% (0.27 1.0 0.02 0.02) = 0.029% HA PRO 86 - HA THR 24 14.286% * 0.0181% (0.17 1.0 0.02 0.02) = 0.018% Peak 2855 (4.25, 4.10, 65.55 ppm): 19 chemical-shift based assignments, quality = 0.764, support = 0.35, residual support = 0.173: HA ASN 76 - HA THR 24 5.263% * 57.2774% (0.85 0.55 0.29) = 57.277% kept HA GLU- 75 - HA THR 24 5.263% * 12.2052% (0.58 0.17 0.02) = 12.205% kept HA ALA 11 - HA THR 24 5.263% * 10.5984% (0.88 0.10 0.02) = 10.598% kept HA PRO 59 - HA THR 24 5.263% * 2.1546% (0.88 0.02 0.02) = 2.155% kept HA GLU- 107 - HA THR 24 5.263% * 2.0291% (0.83 0.02 0.02) = 2.029% kept HA ASN 119 - HA THR 24 5.263% * 2.0291% (0.83 0.02 0.02) = 2.029% kept HA GLU- 10 - HA THR 24 5.263% * 1.7601% (0.72 0.02 0.02) = 1.760% kept HA LYS+ 108 - HA THR 24 5.263% * 1.7601% (0.72 0.02 0.02) = 1.760% kept HA GLU- 54 - HA THR 24 5.263% * 1.7601% (0.72 0.02 0.02) = 1.760% kept HA GLU- 64 - HA THR 24 5.263% * 1.3332% (0.55 0.02 0.02) = 1.333% kept HA ALA 42 - HA THR 24 5.263% * 1.3332% (0.55 0.02 0.02) = 1.333% kept HA SER 49 - HA THR 24 5.263% * 1.1565% (0.47 0.02 0.02) = 1.156% kept HA GLU- 56 - HA THR 24 5.263% * 0.9855% (0.40 0.02 0.02) = 0.985% HA GLU- 109 - HA THR 24 5.263% * 0.7498% (0.31 0.02 0.02) = 0.750% HB3 SER 49 - HA THR 24 5.263% * 0.7336% (0.30 0.02 0.02) = 0.734% HA PRO 52 - HA THR 24 5.263% * 0.5481% (0.22 0.02 0.02) = 0.548% HA ARG+ 84 - HA THR 24 5.263% * 0.5481% (0.22 0.02 0.02) = 0.548% HA SER 85 - HA THR 24 5.263% * 0.5481% (0.22 0.02 0.02) = 0.548% HA VAL 94 - HA THR 24 5.263% * 0.4894% (0.20 0.02 0.02) = 0.489% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 2856 (4.09, 4.09, 65.48 ppm): 1 diagonal assignment: * HA THR 24 - HA THR 24 (0.94) kept Peak 2857 (3.62, 3.63, 65.50 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2858 (3.54, 3.71, 65.41 ppm): 3 chemical-shift based assignments, quality = 0.654, support = 1.95, residual support = 19.7: * O T HB2 SER 69 - HB3 SER 69 33.333% * 92.8575% (0.65 10.0 10.00 2.00 21.26) = 92.858% kept HA LYS+ 44 - HB3 SER 69 33.333% * 7.0213% (0.72 1.0 1.00 1.36 0.02) = 7.021% kept HA1 GLY 26 - HB3 SER 69 33.333% * 0.1212% (0.85 1.0 1.00 0.02 0.02) = 0.121% Peak 2859 (3.55, 3.54, 65.47 ppm): 1 diagonal assignment: * HB2 SER 69 - HB2 SER 69 (0.72) kept Peak 2860 (1.55, 4.09, 65.51 ppm): 9 chemical-shift based assignments, quality = 0.883, support = 2.87, residual support = 26.0: * O T QG2 THR 24 - HA THR 24 11.111% * 93.8962% (0.90 10.0 10.00 3.01 27.69) = 93.896% kept HG13 ILE 29 - HA THR 24 11.111% * 3.1905% (0.83 1.0 1.00 0.73 0.62) = 3.191% kept HG12 ILE 29 - HA THR 24 11.111% * 2.3973% (0.67 1.0 1.00 0.68 0.62) = 2.397% kept HB3 LEU 90 - HA THR 24 11.111% * 0.3081% (0.74 1.0 1.00 0.08 0.02) = 0.308% QB ALA 42 - HA THR 24 11.111% * 0.0707% (0.67 1.0 1.00 0.02 0.02) = 0.071% HD3 LYS+ 81 - HA THR 24 11.111% * 0.0436% (0.42 1.0 1.00 0.02 0.02) = 0.044% HD3 LYS+ 60 - HA THR 24 11.111% * 0.0365% (0.35 1.0 1.00 0.02 0.02) = 0.037% HG LEU 17 - HA THR 24 11.111% * 0.0300% (0.29 1.0 1.00 0.02 0.02) = 0.030% HB ILE 19 - HA THR 24 11.111% * 0.0271% (0.26 1.0 1.00 0.02 0.02) = 0.027% Peak 2865 (9.32, 0.29, 23.82 ppm): 2 chemical-shift based assignments, quality = 0.29, support = 3.22, residual support = 12.6: * HN ILE 29 - QD2 LEU 23 50.000% * 86.3904% (0.29 3.64 14.54) = 86.390% kept HN ILE 29 - QG1 VAL 122 50.000% * 13.6096% (0.31 0.54 0.45) = 13.610% kept Peak 2866 (4.79, 0.29, 23.83 ppm): 8 chemical-shift based assignments, quality = 0.72, support = 5.11, residual support = 111.8: * HA LEU 23 - QD2 LEU 23 12.500% * 92.9714% (0.73 5.48 120.22) = 92.971% kept HA LEU 23 - QG1 VAL 122 12.500% * 5.3854% (0.79 0.29 0.02) = 5.385% kept HB THR 39 - QD2 LEU 23 12.500% * 0.5440% (0.31 0.08 0.02) = 0.544% HA ASN 15 - QG1 VAL 122 12.500% * 0.3175% (0.68 0.02 0.02) = 0.318% HA ASN 15 - QD2 LEU 23 12.500% * 0.2913% (0.62 0.02 0.02) = 0.291% HA GLU- 18 - QG1 VAL 122 12.500% * 0.1735% (0.37 0.02 0.02) = 0.173% HA GLU- 18 - QD2 LEU 23 12.500% * 0.1592% (0.34 0.02 0.02) = 0.159% HB THR 39 - QG1 VAL 122 12.500% * 0.1577% (0.34 0.02 0.02) = 0.158% Peak 2867 (4.78, 0.84, 23.68 ppm): 2 chemical-shift based assignments, quality = 0.406, support = 0.28, residual support = 0.186: HA ASN 15 - QD2 LEU 90 50.000% * 52.8398% (0.59 0.16 0.22) = 52.840% kept HA LEU 23 - QD2 LEU 90 50.000% * 47.1602% (0.20 0.42 0.15) = 47.160% kept Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 2868 (4.27, 4.28, 64.86 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2870 (1.91, 0.29, 23.82 ppm): 26 chemical-shift based assignments, quality = 0.789, support = 2.99, residual support = 52.9: * O T HB2 LEU 23 - QD2 LEU 23 3.846% * 39.9349% (0.86 10.0 10.00 5.25 120.22) = 39.935% kept T HB ILE 29 - QD2 LEU 23 3.846% * 33.0613% (0.71 1.0 10.00 2.01 14.54) = 33.061% kept T HB ILE 29 - QG1 VAL 122 3.846% * 18.3274% (0.76 1.0 10.00 1.04 0.45) = 18.327% kept T HB2 LEU 23 - QG1 VAL 122 3.846% * 7.0310% (0.92 1.0 10.00 0.33 0.02) = 7.031% kept HB3 CYS 123 - QG1 VAL 122 3.846% * 1.1359% (0.52 1.0 1.00 0.94 1.21) = 1.136% kept HD3 LYS+ 63 - QG1 VAL 122 3.846% * 0.0461% (0.99 1.0 1.00 0.02 0.02) = 0.046% HD3 LYS+ 63 - QD2 LEU 23 3.846% * 0.0432% (0.93 1.0 1.00 0.02 0.02) = 0.043% HB3 GLN 102 - QG1 VAL 122 3.846% * 0.0426% (0.92 1.0 1.00 0.02 0.02) = 0.043% HB2 PRO 112 - QG1 VAL 122 3.846% * 0.0423% (0.91 1.0 1.00 0.02 0.02) = 0.042% HB3 GLN 102 - QD2 LEU 23 3.846% * 0.0399% (0.86 1.0 1.00 0.02 0.99) = 0.040% HB2 PRO 112 - QD2 LEU 23 3.846% * 0.0396% (0.85 1.0 1.00 0.02 0.02) = 0.040% HB3 ARG+ 53 - QG1 VAL 122 3.846% * 0.0317% (0.68 1.0 1.00 0.02 0.02) = 0.032% HB3 ARG+ 53 - QD2 LEU 23 3.846% * 0.0297% (0.64 1.0 1.00 0.02 0.20) = 0.030% HB3 CYS 123 - QD2 LEU 23 3.846% * 0.0228% (0.49 1.0 1.00 0.02 0.02) = 0.023% HB2 PRO 116 - QG1 VAL 122 3.846% * 0.0190% (0.41 1.0 1.00 0.02 0.02) = 0.019% HB2 GLU- 10 - QG1 VAL 122 3.846% * 0.0190% (0.41 1.0 1.00 0.02 0.02) = 0.019% HB2 GLU- 10 - QD2 LEU 23 3.846% * 0.0178% (0.38 1.0 1.00 0.02 0.02) = 0.018% HB2 PRO 116 - QD2 LEU 23 3.846% * 0.0178% (0.38 1.0 1.00 0.02 0.02) = 0.018% HG2 GLU- 18 - QG1 VAL 122 3.846% * 0.0143% (0.31 1.0 1.00 0.02 0.02) = 0.014% HB3 GLN 16 - QG1 VAL 122 3.846% * 0.0143% (0.31 1.0 1.00 0.02 0.02) = 0.014% HG2 PRO 112 - QG1 VAL 122 3.846% * 0.0140% (0.30 1.0 1.00 0.02 0.02) = 0.014% HB3 GLN 16 - QD2 LEU 23 3.846% * 0.0134% (0.29 1.0 1.00 0.02 0.02) = 0.013% HG2 GLU- 18 - QD2 LEU 23 3.846% * 0.0134% (0.29 1.0 1.00 0.02 0.02) = 0.013% HG2 PRO 112 - QD2 LEU 23 3.846% * 0.0132% (0.28 1.0 1.00 0.02 0.02) = 0.013% HB2 GLU- 75 - QG1 VAL 122 3.846% * 0.0081% (0.17 1.0 1.00 0.02 0.02) = 0.008% HB2 GLU- 75 - QD2 LEU 23 3.846% * 0.0076% (0.16 1.0 1.00 0.02 0.02) = 0.008% Peak 2874 (1.63, 0.29, 23.82 ppm): 24 chemical-shift based assignments, quality = 0.77, support = 2.54, residual support = 47.3: * O T HG LEU 23 - QD2 LEU 23 4.167% * 36.5658% (0.84 10.0 10.00 4.92 120.22) = 36.566% kept O T HB VAL 122 - QG1 VAL 122 4.167% * 34.6754% (0.79 10.0 10.00 1.00 0.94) = 34.675% kept T HG12 ILE 101 - QD2 LEU 23 4.167% * 7.6063% (0.78 1.0 10.00 0.45 0.51) = 7.606% kept HG2 ARG+ 22 - QD2 LEU 23 4.167% * 7.0810% (0.78 1.0 1.00 4.16 40.43) = 7.081% kept T HG LEU 23 - QG1 VAL 122 4.167% * 6.3725% (0.89 1.0 10.00 0.33 0.02) = 6.372% kept T HG3 ARG+ 84 - QG1 VAL 122 4.167% * 5.5538% (0.31 1.0 10.00 0.83 1.53) = 5.554% kept T HG3 ARG+ 84 - QD2 LEU 23 4.167% * 0.6473% (0.29 1.0 10.00 0.10 0.02) = 0.647% HG2 ARG+ 22 - QG1 VAL 122 4.167% * 0.5730% (0.83 1.0 1.00 0.32 0.02) = 0.573% T HG12 ILE 101 - QG1 VAL 122 4.167% * 0.3617% (0.83 1.0 10.00 0.02 0.02) = 0.362% T HB VAL 122 - QD2 LEU 23 4.167% * 0.3265% (0.75 1.0 10.00 0.02 0.02) = 0.326% HB ILE 68 - QG1 VAL 122 4.167% * 0.0347% (0.79 1.0 1.00 0.02 0.02) = 0.035% HG LEU 43 - QG1 VAL 122 4.167% * 0.0347% (0.79 1.0 1.00 0.02 0.02) = 0.035% HG LEU 43 - QD2 LEU 23 4.167% * 0.0326% (0.75 1.0 1.00 0.02 0.02) = 0.033% HB ILE 68 - QD2 LEU 23 4.167% * 0.0326% (0.75 1.0 1.00 0.02 0.02) = 0.033% HG3 LYS+ 78 - QG1 VAL 122 4.167% * 0.0228% (0.52 1.0 1.00 0.02 0.02) = 0.023% HG3 LYS+ 78 - QD2 LEU 23 4.167% * 0.0215% (0.49 1.0 1.00 0.02 0.02) = 0.021% HG2 LYS+ 110 - QG1 VAL 122 4.167% * 0.0096% (0.22 1.0 1.00 0.02 0.02) = 0.010% HG2 LYS+ 110 - QD2 LEU 23 4.167% * 0.0091% (0.21 1.0 1.00 0.02 0.02) = 0.009% HB3 LYS+ 66 - QG1 VAL 122 4.167% * 0.0076% (0.17 1.0 1.00 0.02 0.02) = 0.008% HB3 LYS+ 66 - QD2 LEU 23 4.167% * 0.0071% (0.16 1.0 1.00 0.02 0.02) = 0.007% HB ILE 100 - QG1 VAL 122 4.167% * 0.0067% (0.15 1.0 1.00 0.02 0.02) = 0.007% HB ILE 100 - QD2 LEU 23 4.167% * 0.0063% (0.14 1.0 1.00 0.02 3.44) = 0.006% HB3 PRO 52 - QG1 VAL 122 4.167% * 0.0059% (0.13 1.0 1.00 0.02 1.58) = 0.006% HB3 PRO 52 - QD2 LEU 23 4.167% * 0.0055% (0.13 1.0 1.00 0.02 1.63) = 0.006% Peak 2896 (0.82, 0.81, 23.64 ppm): 1 diagonal assignment: * QD2 LEU 90 - QD2 LEU 90 (0.96) kept Peak 2926 (0.29, 0.29, 23.82 ppm): 2 diagonal assignments: QG1 VAL 122 - QG1 VAL 122 (0.98) kept * QD2 LEU 23 - QD2 LEU 23 (0.94) kept Peak 2939 (8.60, 4.00, 64.90 ppm): 4 chemical-shift based assignments, quality = 0.649, support = 3.03, residual support = 12.3: * O HN THR 39 - HA THR 38 25.000% * 82.8920% (0.63 10.0 3.39 14.77) = 82.892% kept HN LYS+ 20 - HA THR 38 25.000% * 7.4989% (0.97 1.0 1.18 0.11) = 7.499% kept HN VAL 80 - HA THR 38 25.000% * 5.9823% (0.59 1.0 1.54 0.97) = 5.982% kept HN VAL 73 - HA THR 38 25.000% * 3.6268% (0.44 1.0 1.26 0.38) = 3.627% kept Peak 2940 (7.87, 4.01, 64.81 ppm): 4 chemical-shift based assignments, quality = 0.883, support = 3.91, residual support = 19.7: * O HN THR 38 - HA THR 38 25.000% * 96.7272% (0.89 10.0 4.01 20.35) = 96.727% kept HN LEU 90 - HA THR 38 25.000% * 3.1201% (0.67 1.0 0.86 0.02) = 3.120% kept HD22 ASN 89 - HA THR 38 25.000% * 0.1000% (0.92 1.0 0.02 0.02) = 0.100% HN LYS+ 44 - HA THR 38 25.000% * 0.0527% (0.49 1.0 0.02 0.02) = 0.053% Peak 2941 (4.30, 0.85, 23.55 ppm): 12 chemical-shift based assignments, quality = 0.149, support = 1.16, residual support = 9.63: * HA LEU 90 - QD2 LEU 90 8.333% * 49.4590% (0.10 2.02 19.40) = 49.459% kept HA ILE 29 - QD2 LEU 90 8.333% * 18.7880% (0.22 0.36 0.02) = 18.788% kept HA ALA 93 - QD2 LEU 90 8.333% * 17.2858% (0.17 0.42 0.15) = 17.286% kept HA ASP- 36 - QD2 LEU 90 8.333% * 10.6962% (0.24 0.19 0.02) = 10.696% kept HA CYS 121 - QD2 LEU 90 8.333% * 0.9116% (0.19 0.02 0.02) = 0.912% HA THR 106 - QD2 LEU 90 8.333% * 0.8662% (0.18 0.02 0.02) = 0.866% HB3 CYS 121 - QD2 LEU 90 8.333% * 0.7235% (0.15 0.02 0.02) = 0.724% HA VAL 122 - QD2 LEU 90 8.333% * 0.4069% (0.09 0.02 0.02) = 0.407% HA VAL 94 - QD2 LEU 90 8.333% * 0.2361% (0.05 0.02 0.02) = 0.236% HA ARG+ 84 - QD2 LEU 90 8.333% * 0.2089% (0.04 0.02 0.02) = 0.209% HA SER 85 - QD2 LEU 90 8.333% * 0.2089% (0.04 0.02 0.02) = 0.209% HA PRO 52 - QD2 LEU 90 8.333% * 0.2089% (0.04 0.02 2.38) = 0.209% Peak 2942 (4.02, 4.01, 64.88 ppm): 1 diagonal assignment: * HA THR 38 - HA THR 38 (0.76) kept Peak 2943 (3.84, 3.84, 64.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2946 (1.41, 4.00, 64.94 ppm): 14 chemical-shift based assignments, quality = 0.682, support = 3.26, residual support = 18.2: * O QG2 THR 38 - HA THR 38 7.143% * 86.0765% (0.65 10.0 3.47 20.35) = 86.077% kept QB ALA 37 - HA THR 38 7.143% * 13.0304% (0.93 1.0 2.12 5.32) = 13.030% kept HG LEU 67 - HA THR 38 7.143% * 0.1087% (0.82 1.0 0.02 0.10) = 0.109% HD3 LYS+ 44 - HA THR 38 7.143% * 0.1087% (0.82 1.0 0.02 0.02) = 0.109% QB ALA 93 - HA THR 38 7.143% * 0.1047% (0.79 1.0 0.02 0.02) = 0.105% HG13 ILE 100 - HA THR 38 7.143% * 0.1047% (0.79 1.0 0.02 0.02) = 0.105% QB ALA 91 - HA THR 38 7.143% * 0.0958% (0.73 1.0 0.02 0.90) = 0.096% HD3 LYS+ 113 - HA THR 38 7.143% * 0.0709% (0.54 1.0 0.02 0.02) = 0.071% HG3 LYS+ 55 - HA THR 38 7.143% * 0.0659% (0.50 1.0 0.02 0.02) = 0.066% HG3 ARG+ 22 - HA THR 38 7.143% * 0.0659% (0.50 1.0 0.02 0.02) = 0.066% HD3 LYS+ 20 - HA THR 38 7.143% * 0.0610% (0.46 1.0 0.02 0.11) = 0.061% HG3 LYS+ 113 - HA THR 38 7.143% * 0.0562% (0.43 1.0 0.02 0.02) = 0.056% HG LEU 90 - HA THR 38 7.143% * 0.0312% (0.24 1.0 0.02 0.02) = 0.031% HG13 ILE 68 - HA THR 38 7.143% * 0.0193% (0.15 1.0 0.02 0.02) = 0.019% Peak 2963 (9.37, 1.54, 23.11 ppm): 1 chemical-shift based assignment, quality = 0.782, support = 4.27, residual support = 27.7: * HN THR 24 - QG2 THR 24 100.000% *100.0000% (0.78 4.27 27.69) = 100.000% kept Peak 2964 (9.26, 1.00, 23.14 ppm): 2 chemical-shift based assignments, quality = 0.477, support = 2.81, residual support = 13.8: * HN ILE 100 - QG1 VAL 99 50.000% * 84.4689% (0.51 3.13 13.75) = 84.469% kept HN LEU 23 - QG1 VAL 99 50.000% * 15.5311% (0.27 1.09 13.87) = 15.531% kept Peak 2965 (9.27, 0.95, 23.19 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2966 (9.09, 0.73, 23.16 ppm): 4 chemical-shift based assignments, quality = 0.634, support = 3.3, residual support = 11.1: * HN LYS+ 66 - QG2 VAL 65 25.000% * 86.7900% (0.65 3.72 12.79) = 86.790% kept HN LYS+ 66 - HG3 LYS+ 44 25.000% * 12.4874% (0.59 0.59 0.24) = 12.487% kept HN GLU- 54 - QG2 VAL 65 25.000% * 0.3793% (0.53 0.02 0.02) = 0.379% HN GLU- 54 - HG3 LYS+ 44 25.000% * 0.3433% (0.48 0.02 0.02) = 0.343% Peak 2967 (8.97, 0.95, 23.18 ppm): 6 chemical-shift based assignments, quality = 0.0641, support = 1.4, residual support = 5.11: HN MET 97 - QG2 VAL 99 16.667% * 41.7489% (0.10 0.79 1.69) = 41.749% kept * HN ARG+ 22 - QG2 VAL 99 16.667% * 38.3716% (0.03 2.27 9.56) = 38.372% kept HN PHE 21 - QG2 VAL 99 16.667% * 13.4886% (0.02 1.44 5.39) = 13.489% kept HN LEU 17 - QG2 VAL 99 16.667% * 3.8834% (0.08 0.09 0.32) = 3.883% kept HN THR 96 - QG2 VAL 99 16.667% * 1.3012% (0.03 0.10 0.02) = 1.301% kept HN ILE 19 - QG2 VAL 99 16.667% * 1.2063% (0.12 0.02 0.02) = 1.206% kept Peak 2968 (8.31, 0.95, 23.15 ppm): 6 chemical-shift based assignments, quality = 0.166, support = 2.25, residual support = 20.0: * HN VAL 99 - QG2 VAL 99 16.667% * 92.8303% (0.17 2.42 21.50) = 92.830% kept HN ALA 91 - QG2 VAL 99 16.667% * 4.2633% (0.12 0.16 0.02) = 4.263% kept HN GLU- 50 - QG2 VAL 99 16.667% * 1.5702% (0.04 0.16 0.02) = 1.570% kept HN ASN 76 - QG2 VAL 99 16.667% * 0.6160% (0.14 0.02 0.02) = 0.616% HN GLY 114 - QG2 VAL 99 16.667% * 0.5284% (0.12 0.02 0.02) = 0.528% HN ASP- 28 - QG2 VAL 99 16.667% * 0.1918% (0.04 0.02 0.44) = 0.192% Peak 2969 (8.30, 3.84, 64.57 ppm): 12 chemical-shift based assignments, quality = 0.049, support = 1.11, residual support = 1.58: * HN ASN 89 - HB3 SER 88 8.333% * 53.7997% (0.03 1.94 2.69) = 53.800% kept HN ALA 91 - HB3 SER 77 8.333% * 15.6786% (0.09 0.16 0.02) = 15.679% kept HN ALA 91 - HB3 SER 88 8.333% * 12.1304% (0.10 0.11 0.02) = 12.130% kept HN ASN 76 - HB3 SER 77 8.333% * 9.8499% (0.04 0.24 1.33) = 9.850% kept HN VAL 99 - HB3 SER 88 8.333% * 1.6979% (0.08 0.02 0.02) = 1.698% kept HN VAL 99 - HB3 SER 77 8.333% * 1.5441% (0.07 0.02 0.02) = 1.544% kept HN ASP- 28 - HB3 SER 88 8.333% * 1.3476% (0.06 0.02 0.02) = 1.348% kept HN ASP- 28 - HB3 SER 77 8.333% * 1.2254% (0.06 0.02 0.02) = 1.225% kept HN ASN 76 - HB3 SER 88 8.333% * 0.9134% (0.04 0.02 0.02) = 0.913% HN GLY 114 - HB3 SER 88 8.333% * 0.6857% (0.03 0.02 0.02) = 0.686% HN GLY 114 - HB3 SER 77 8.333% * 0.6236% (0.03 0.02 0.32) = 0.624% HN ASN 89 - HB3 SER 77 8.333% * 0.5038% (0.02 0.02 0.02) = 0.504% Not enough quality. Peak unassigned. Peak 2970 (8.29, 3.71, 64.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2971 (6.90, 0.95, 23.16 ppm): 3 chemical-shift based assignments, quality = 0.111, support = 0.82, residual support = 5.14: * QD PHE 21 - QG2 VAL 99 33.333% * 95.3395% (0.11 0.86 5.39) = 95.339% kept HD22 ASN 15 - QG2 VAL 99 33.333% * 3.0515% (0.15 0.02 0.02) = 3.052% kept HD21 ASN 119 - QG2 VAL 99 33.333% * 1.6090% (0.08 0.02 0.02) = 1.609% kept Peak 2972 (4.80, 1.54, 23.11 ppm): 4 chemical-shift based assignments, quality = 0.876, support = 3.94, residual support = 12.2: * HA LEU 23 - QG2 THR 24 25.000% * 93.7378% (0.90 4.18 13.02) = 93.738% kept HB THR 39 - QG2 THR 24 25.000% * 4.7530% (0.69 0.28 0.02) = 4.753% kept HA ASN 15 - QG2 THR 24 25.000% * 1.1496% (0.25 0.18 0.23) = 1.150% kept HA GLU- 18 - QG2 THR 24 25.000% * 0.3597% (0.72 0.02 0.02) = 0.360% Peak 2973 (4.72, 1.01, 23.11 ppm): 6 chemical-shift based assignments, quality = 0.459, support = 1.82, residual support = 19.3: * O HA VAL 99 - QG1 VAL 99 16.667% * 89.4599% (0.40 10.0 1.93 21.50) = 89.460% kept HA LYS+ 20 - QG1 VAL 99 16.667% * 10.0063% (0.97 1.0 0.90 1.05) = 10.006% kept HA2 GLY 30 - QG1 VAL 99 16.667% * 0.1803% (0.79 1.0 0.02 0.02) = 0.180% HA THR 39 - QG1 VAL 99 16.667% * 0.1635% (0.71 1.0 0.02 0.02) = 0.163% HA THR 61 - QG1 VAL 99 16.667% * 0.1275% (0.56 1.0 0.02 0.02) = 0.127% HA GLN 16 - QG1 VAL 99 16.667% * 0.0626% (0.27 1.0 0.02 0.02) = 0.063% Peak 2974 (4.72, 0.95, 23.14 ppm): 6 chemical-shift based assignments, quality = 0.148, support = 2.83, residual support = 19.8: * O HA VAL 99 - QG2 VAL 99 16.667% * 92.1073% (0.15 10.0 3.01 21.50) = 92.107% kept HA THR 61 - QG2 VAL 99 16.667% * 3.8113% (0.17 1.0 0.71 0.02) = 3.811% kept HA LYS+ 20 - QG2 VAL 99 16.667% * 3.7698% (0.17 1.0 0.70 1.05) = 3.770% kept HA2 GLY 30 - QG2 VAL 99 16.667% * 0.1203% (0.19 1.0 0.02 0.02) = 0.120% HA THR 39 - QG2 VAL 99 16.667% * 0.1181% (0.19 1.0 0.02 0.02) = 0.118% HA GLN 16 - QG2 VAL 99 16.667% * 0.0731% (0.12 1.0 0.02 0.02) = 0.073% Peak 2975 (4.44, 1.54, 23.11 ppm): 8 chemical-shift based assignments, quality = 0.777, support = 2.5, residual support = 27.6: * O HB THR 24 - QG2 THR 24 12.500% * 99.6307% (0.78 10.0 2.51 27.69) = 99.631% kept HA MET 118 - QG2 THR 24 12.500% * 0.0996% (0.78 1.0 0.02 0.02) = 0.100% HA LYS+ 111 - QG2 THR 24 12.500% * 0.0955% (0.75 1.0 0.02 0.02) = 0.096% HA GLU- 50 - QG2 THR 24 12.500% * 0.0772% (0.60 1.0 0.02 0.02) = 0.077% HA LYS+ 66 - QG2 THR 24 12.500% * 0.0368% (0.29 1.0 0.02 0.02) = 0.037% HA GLN 102 - QG2 THR 24 12.500% * 0.0209% (0.16 1.0 0.02 0.02) = 0.021% HA ILE 100 - QG2 THR 24 12.500% * 0.0209% (0.16 1.0 0.02 0.02) = 0.021% HA HIS+ 14 - QG2 THR 24 12.500% * 0.0184% (0.14 1.0 0.02 0.02) = 0.018% Peak 2976 (4.38, 3.85, 64.58 ppm): 24 chemical-shift based assignments, quality = 0.111, support = 1.59, residual support = 11.9: * O T HA SER 88 - HB3 SER 88 4.167% * 92.1837% (0.11 10.0 10.00 1.72 12.96) = 92.184% kept T HA SER 27 - HB3 SER 77 4.167% * 4.4174% (0.13 1.0 10.00 0.08 0.02) = 4.417% kept T HA SER 27 - HB3 SER 88 4.167% * 1.1036% (0.13 1.0 10.00 0.02 0.02) = 1.104% kept T HA SER 88 - HB3 SER 77 4.167% * 0.8769% (0.11 1.0 10.00 0.02 0.02) = 0.877% HA ALA 37 - HB3 SER 88 4.167% * 0.1101% (0.13 1.0 1.00 0.02 0.02) = 0.110% HA LYS+ 60 - HB3 SER 88 4.167% * 0.1065% (0.13 1.0 1.00 0.02 0.02) = 0.107% HA ALA 37 - HB3 SER 77 4.167% * 0.1047% (0.13 1.0 1.00 0.02 0.02) = 0.105% HA TRP 51 - HB3 SER 88 4.167% * 0.1044% (0.13 1.0 1.00 0.02 0.02) = 0.104% HA ALA 91 - HB3 SER 88 4.167% * 0.1019% (0.12 1.0 1.00 0.02 0.02) = 0.102% HA LYS+ 60 - HB3 SER 77 4.167% * 0.1013% (0.12 1.0 1.00 0.02 0.02) = 0.101% HA TRP 51 - HB3 SER 77 4.167% * 0.0993% (0.12 1.0 1.00 0.02 0.02) = 0.099% HA ALA 91 - HB3 SER 77 4.167% * 0.0969% (0.12 1.0 1.00 0.02 0.02) = 0.097% HB THR 61 - HB3 SER 88 4.167% * 0.0843% (0.10 1.0 1.00 0.02 0.02) = 0.084% HB THR 61 - HB3 SER 77 4.167% * 0.0802% (0.10 1.0 1.00 0.02 0.02) = 0.080% HA2 GLY 26 - HB3 SER 88 4.167% * 0.0714% (0.09 1.0 1.00 0.02 0.02) = 0.071% HA2 GLY 26 - HB3 SER 77 4.167% * 0.0679% (0.08 1.0 1.00 0.02 0.02) = 0.068% HA ASN 57 - HB3 SER 88 4.167% * 0.0495% (0.06 1.0 1.00 0.02 0.02) = 0.049% HA ASN 57 - HB3 SER 77 4.167% * 0.0471% (0.06 1.0 1.00 0.02 0.02) = 0.047% HA THR 95 - HB3 SER 88 4.167% * 0.0454% (0.06 1.0 1.00 0.02 0.02) = 0.045% HA THR 95 - HB3 SER 77 4.167% * 0.0432% (0.05 1.0 1.00 0.02 0.02) = 0.043% HA PRO 104 - HB3 SER 88 4.167% * 0.0341% (0.04 1.0 1.00 0.02 0.02) = 0.034% HA PRO 104 - HB3 SER 77 4.167% * 0.0324% (0.04 1.0 1.00 0.02 0.02) = 0.032% HA PRO 112 - HB3 SER 88 4.167% * 0.0193% (0.02 1.0 1.00 0.02 0.02) = 0.019% HA PRO 112 - HB3 SER 77 4.167% * 0.0184% (0.02 1.0 1.00 0.02 0.02) = 0.018% Peak 2977 (4.37, 3.72, 64.56 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2978 (4.29, 0.94, 23.10 ppm): 13 chemical-shift based assignments, quality = 0.136, support = 0.02, residual support = 0.0456: HA CYS 121 - QG2 VAL 99 7.692% * 12.1898% (0.18 0.02 0.02) = 12.190% kept HA ASP- 36 - QG2 VAL 99 7.692% * 12.1898% (0.18 0.02 0.02) = 12.190% kept HA THR 106 - QG2 VAL 99 7.692% * 12.0017% (0.18 0.02 0.02) = 12.002% kept HB3 CYS 121 - QG2 VAL 99 7.692% * 11.1531% (0.17 0.02 0.02) = 11.153% kept HA LEU 90 - QG2 VAL 99 7.692% * 9.0304% (0.14 0.02 0.02) = 9.030% kept HA VAL 122 - QG2 VAL 99 7.692% * 8.0450% (0.12 0.02 0.02) = 8.045% kept HA ILE 29 - QG2 VAL 99 7.692% * 7.0407% (0.11 0.02 0.02) = 7.041% kept HA VAL 94 - QG2 VAL 99 7.692% * 5.5755% (0.08 0.02 0.02) = 5.575% kept HA ARG+ 84 - QG2 VAL 99 7.692% * 5.1126% (0.08 0.02 0.02) = 5.113% kept HA SER 85 - QG2 VAL 99 7.692% * 5.1126% (0.08 0.02 0.02) = 5.113% kept HA PRO 52 - QG2 VAL 99 7.692% * 5.1126% (0.08 0.02 0.52) = 5.113% kept HA ALA 93 - QG2 VAL 99 7.692% * 4.6674% (0.07 0.02 0.02) = 4.667% kept HA GLU- 56 - QG2 VAL 99 7.692% * 2.7687% (0.04 0.02 0.02) = 2.769% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 2979 (4.20, 0.73, 23.17 ppm): 10 chemical-shift based assignments, quality = 0.624, support = 3.46, residual support = 21.4: * O T HA VAL 65 - QG2 VAL 65 10.000% * 72.3500% (0.65 10.0 10.00 4.60 29.62) = 72.350% kept T HA VAL 65 - HG3 LYS+ 44 10.000% * 19.6853% (0.56 1.0 10.00 0.62 0.02) = 19.685% kept T HB3 SER 49 - QG2 VAL 65 10.000% * 5.7884% (0.78 1.0 10.00 0.13 0.10) = 5.788% kept T HB3 SER 49 - HG3 LYS+ 44 10.000% * 0.7659% (0.68 1.0 10.00 0.02 0.02) = 0.766% T HA VAL 73 - QG2 VAL 65 10.000% * 0.6332% (0.57 1.0 10.00 0.02 0.02) = 0.633% T HA VAL 73 - HG3 LYS+ 44 10.000% * 0.5525% (0.49 1.0 10.00 0.02 0.02) = 0.553% HA ASP- 82 - QG2 VAL 65 10.000% * 0.0855% (0.76 1.0 1.00 0.02 0.02) = 0.085% HA ASP- 82 - HG3 LYS+ 44 10.000% * 0.0746% (0.67 1.0 1.00 0.02 0.02) = 0.075% HA GLU- 12 - QG2 VAL 65 10.000% * 0.0345% (0.31 1.0 1.00 0.02 0.02) = 0.035% HA GLU- 12 - HG3 LYS+ 44 10.000% * 0.0301% (0.27 1.0 1.00 0.02 0.02) = 0.030% Peak 2980 (4.07, 4.07, 64.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2981 (4.09, 1.54, 23.11 ppm): 5 chemical-shift based assignments, quality = 0.939, support = 3.0, residual support = 27.6: * O T HA THR 24 - QG2 THR 24 20.000% * 99.6966% (0.94 10.0 10.00 3.01 27.69) = 99.697% kept HA LYS+ 63 - QG2 THR 24 20.000% * 0.0902% (0.85 1.0 1.00 0.02 0.02) = 0.090% HA ALA 70 - QG2 THR 24 20.000% * 0.0873% (0.82 1.0 1.00 0.02 0.02) = 0.087% HB3 SER 49 - QG2 THR 24 20.000% * 0.0730% (0.69 1.0 1.00 0.02 0.02) = 0.073% HA THR 46 - QG2 THR 24 20.000% * 0.0529% (0.50 1.0 1.00 0.02 0.02) = 0.053% Peak 2982 (4.02, 3.86, 64.56 ppm): 10 chemical-shift based assignments, quality = 0.0622, support = 0.31, residual support = 0.124: HB3 SER 49 - HB3 SER 77 10.000% * 36.5547% (0.03 1.00 0.77 0.31) = 36.555% kept T HB3 SER 85 - HB3 SER 88 10.000% * 12.4631% (0.03 10.00 0.02 0.02) = 12.463% kept T HB3 SER 85 - HB3 SER 77 10.000% * 12.2776% (0.03 10.00 0.02 0.02) = 12.278% kept HB3 SER 49 - HB3 SER 88 10.000% * 8.6096% (0.03 1.00 0.18 0.02) = 8.610% kept HA VAL 13 - HB3 SER 88 10.000% * 6.2977% (0.17 1.00 0.02 0.02) = 6.298% kept HA VAL 13 - HB3 SER 77 10.000% * 6.2040% (0.17 1.00 0.02 0.02) = 6.204% kept HA THR 38 - HB3 SER 88 10.000% * 5.0428% (0.14 1.00 0.02 0.02) = 5.043% kept HA THR 38 - HB3 SER 77 10.000% * 4.9678% (0.13 1.00 0.02 0.02) = 4.968% kept HB THR 95 - HB3 SER 88 10.000% * 3.8198% (0.10 1.00 0.02 0.02) = 3.820% kept HB THR 95 - HB3 SER 77 10.000% * 3.7629% (0.10 1.00 0.02 0.02) = 3.763% kept Not enough quality. Peak unassigned. Peak 2983 (3.73, 3.72, 64.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2984 (3.52, 0.73, 23.16 ppm): 6 chemical-shift based assignments, quality = 0.74, support = 3.51, residual support = 55.5: * O T HA LYS+ 44 - HG3 LYS+ 44 16.667% * 98.5863% (0.74 10.0 10.00 3.56 56.31) = 98.586% kept T HA LYS+ 44 - QG2 VAL 65 16.667% * 1.1927% (0.89 1.0 10.00 0.02 0.02) = 1.193% kept HA1 GLY 26 - QG2 VAL 65 16.667% * 0.1035% (0.78 1.0 1.00 0.02 0.02) = 0.103% HA1 GLY 26 - HG3 LYS+ 44 16.667% * 0.0855% (0.64 1.0 1.00 0.02 0.02) = 0.086% HB2 SER 69 - QG2 VAL 65 16.667% * 0.0175% (0.13 1.0 1.00 0.02 0.02) = 0.017% HB2 SER 69 - HG3 LYS+ 44 16.667% * 0.0145% (0.11 1.0 1.00 0.02 0.02) = 0.014% Peak 2985 (3.46, 0.95, 23.08 ppm): 6 chemical-shift based assignments, quality = 0.201, support = 0.826, residual support = 0.962: T HA VAL 62 - QG2 VAL 99 16.667% * 92.3244% (0.20 10.00 0.89 1.04) = 92.324% kept T HA VAL 80 - QG2 VAL 99 16.667% * 3.1873% (0.30 10.00 0.02 0.02) = 3.187% kept T HA VAL 40 - QG2 VAL 99 16.667% * 3.1661% (0.30 10.00 0.02 0.02) = 3.166% kept HA ILE 48 - QG2 VAL 99 16.667% * 0.7917% (0.09 1.00 0.16 0.20) = 0.792% HD3 PRO 31 - QG2 VAL 99 16.667% * 0.2865% (0.27 1.00 0.02 0.02) = 0.286% HA1 GLY 71 - QG2 VAL 99 16.667% * 0.2441% (0.23 1.00 0.02 0.02) = 0.244% Peak 2986 (2.96, 0.95, 23.18 ppm): 3 chemical-shift based assignments, quality = 0.0603, support = 0.606, residual support = 5.25: * T HB2 PHE 21 - QG2 VAL 99 33.333% * 97.3918% (0.06 10.00 0.62 5.39) = 97.392% kept T HE3 LYS+ 113 - QG2 VAL 99 33.333% * 1.3837% (0.03 10.00 0.02 0.02) = 1.384% kept T HE2 LYS+ 117 - QG2 VAL 99 33.333% * 1.2245% (0.02 10.00 0.02 0.02) = 1.225% kept Peak 2988 (2.18, 1.01, 23.12 ppm): 9 chemical-shift based assignments, quality = 0.984, support = 2.81, residual support = 21.1: * O HB VAL 99 - QG1 VAL 99 11.111% * 98.0252% (0.99 10.0 2.86 21.50) = 98.025% kept HG2 GLN 102 - QG1 VAL 99 11.111% * 1.5362% (0.86 1.0 0.36 0.02) = 1.536% kept HB3 PRO 104 - QG1 VAL 99 11.111% * 0.0974% (0.98 1.0 0.02 0.02) = 0.097% HG2 PRO 112 - QG1 VAL 99 11.111% * 0.0966% (0.98 1.0 0.02 0.02) = 0.097% HB2 ASP- 82 - QG1 VAL 99 11.111% * 0.0881% (0.89 1.0 0.02 0.02) = 0.088% HG2 MET 126 - QG1 VAL 99 11.111% * 0.0713% (0.72 1.0 0.02 0.02) = 0.071% HG2 PRO 104 - QG1 VAL 99 11.111% * 0.0404% (0.41 1.0 0.02 0.02) = 0.040% HB3 GLU- 75 - QG1 VAL 99 11.111% * 0.0297% (0.30 1.0 0.02 0.02) = 0.030% HG3 MET 126 - QG1 VAL 99 11.111% * 0.0152% (0.15 1.0 0.02 0.02) = 0.015% Peak 2989 (2.19, 0.95, 23.16 ppm): 12 chemical-shift based assignments, quality = 0.139, support = 1.82, residual support = 20.9: * O T HB VAL 99 - QG2 VAL 99 8.333% * 97.2178% (0.14 10.0 10.00 1.87 21.50) = 97.218% kept T HG2 MET 126 - QG2 VAL 99 8.333% * 0.9445% (0.14 1.0 10.00 0.02 0.02) = 0.944% T HG2 GLN 102 - QG2 VAL 99 8.333% * 0.7234% (0.11 1.0 10.00 0.02 0.02) = 0.723% T HG3 MET 126 - QG2 VAL 99 8.333% * 0.2928% (0.04 1.0 10.00 0.02 0.02) = 0.293% T HB3 GLU- 75 - QG2 VAL 99 8.333% * 0.2768% (0.04 1.0 10.00 0.02 0.02) = 0.277% T HG3 MET 97 - QG2 VAL 99 8.333% * 0.2084% (0.03 1.0 10.00 0.02 1.69) = 0.208% HG2 PRO 112 - QG2 VAL 99 8.333% * 0.1040% (0.15 1.0 1.00 0.02 0.02) = 0.104% HB3 PRO 104 - QG2 VAL 99 8.333% * 0.0944% (0.14 1.0 1.00 0.02 0.02) = 0.094% HB2 ASP- 82 - QG2 VAL 99 8.333% * 0.0765% (0.11 1.0 1.00 0.02 0.02) = 0.076% HG2 PRO 104 - QG2 VAL 99 8.333% * 0.0263% (0.04 1.0 1.00 0.02 0.02) = 0.026% HA1 GLY 58 - QG2 VAL 99 8.333% * 0.0208% (0.03 1.0 1.00 0.02 0.02) = 0.021% HB2 GLU- 50 - QG2 VAL 99 8.333% * 0.0143% (0.02 1.0 1.00 0.02 0.02) = 0.014% Peak 2991 (2.01, 0.73, 23.16 ppm): 30 chemical-shift based assignments, quality = 0.638, support = 2.34, residual support = 18.4: T HB3 GLU- 64 - QG2 VAL 65 3.333% * 60.2098% (0.76 10.00 2.98 26.51) = 60.210% kept T HB3 GLU- 75 - HG3 LYS+ 44 3.333% * 20.4368% (0.33 10.00 1.59 3.27) = 20.437% kept T HB3 GLU- 64 - HG3 LYS+ 44 3.333% * 7.9658% (0.69 10.00 0.29 0.02) = 7.966% kept HG3 GLU- 64 - QG2 VAL 65 3.333% * 6.5252% (0.61 1.00 2.73 26.51) = 6.525% kept HB3 PRO 31 - HG3 LYS+ 44 3.333% * 2.2298% (0.75 1.00 0.75 0.98) = 2.230% kept HG2 PRO 112 - QG2 VAL 65 3.333% * 0.7325% (0.58 1.00 0.32 0.02) = 0.733% T HB3 GLU- 75 - QG2 VAL 65 3.333% * 0.2850% (0.36 10.00 0.02 0.02) = 0.285% HB3 GLU- 54 - QG2 VAL 65 3.333% * 0.2288% (0.65 1.00 0.09 0.02) = 0.229% HB3 GLU- 54 - HG3 LYS+ 44 3.333% * 0.1851% (0.58 1.00 0.08 0.02) = 0.185% HB2 GLU- 18 - QG2 VAL 65 3.333% * 0.0772% (0.98 1.00 0.02 0.02) = 0.077% HG2 PRO 116 - QG2 VAL 65 3.333% * 0.0772% (0.98 1.00 0.02 0.02) = 0.077% HB3 GLU- 107 - QG2 VAL 65 3.333% * 0.0760% (0.96 1.00 0.02 0.02) = 0.076% HG3 PRO 112 - QG2 VAL 65 3.333% * 0.0760% (0.96 1.00 0.02 0.02) = 0.076% HB2 HIS+ 14 - QG2 VAL 65 3.333% * 0.0727% (0.92 1.00 0.02 0.02) = 0.073% HB3 MET 118 - QG2 VAL 65 3.333% * 0.0727% (0.92 1.00 0.02 0.02) = 0.073% HB2 GLU- 18 - HG3 LYS+ 44 3.333% * 0.0698% (0.89 1.00 0.02 0.02) = 0.070% HG2 PRO 116 - HG3 LYS+ 44 3.333% * 0.0698% (0.89 1.00 0.02 0.02) = 0.070% HG3 PRO 112 - HG3 LYS+ 44 3.333% * 0.0687% (0.87 1.00 0.02 0.27) = 0.069% HB3 GLU- 107 - HG3 LYS+ 44 3.333% * 0.0687% (0.87 1.00 0.02 0.02) = 0.069% HB3 PRO 31 - QG2 VAL 65 3.333% * 0.0658% (0.83 1.00 0.02 0.02) = 0.066% HB2 HIS+ 14 - HG3 LYS+ 44 3.333% * 0.0657% (0.83 1.00 0.02 0.02) = 0.066% HB3 MET 118 - HG3 LYS+ 44 3.333% * 0.0657% (0.83 1.00 0.02 0.02) = 0.066% HB3 GLU- 10 - QG2 VAL 65 3.333% * 0.0602% (0.76 1.00 0.02 0.02) = 0.060% HB3 GLU- 10 - HG3 LYS+ 44 3.333% * 0.0544% (0.69 1.00 0.02 0.02) = 0.054% HG3 GLU- 64 - HG3 LYS+ 44 3.333% * 0.0432% (0.55 1.00 0.02 0.02) = 0.043% HG2 PRO 112 - HG3 LYS+ 44 3.333% * 0.0412% (0.52 1.00 0.02 0.27) = 0.041% HB3 LYS+ 110 - QG2 VAL 65 3.333% * 0.0243% (0.31 1.00 0.02 0.02) = 0.024% HB3 LYS+ 110 - HG3 LYS+ 44 3.333% * 0.0220% (0.28 1.00 0.02 0.02) = 0.022% HB2 LYS+ 108 - QG2 VAL 65 3.333% * 0.0156% (0.20 1.00 0.02 0.02) = 0.016% HB2 LYS+ 108 - HG3 LYS+ 44 3.333% * 0.0141% (0.18 1.00 0.02 0.02) = 0.014% Reference assignment not found: HB VAL 65 - QG2 VAL 65 Peak 2996 (1.67, 0.95, 23.18 ppm): 10 chemical-shift based assignments, quality = 0.106, support = 1.68, residual support = 10.6: HB ILE 100 - QG2 VAL 99 10.000% * 66.8394% (0.12 2.17 13.75) = 66.839% kept HG2 ARG+ 22 - QG2 VAL 99 10.000% * 12.7612% (0.04 1.32 9.56) = 12.761% kept HB3 MET 97 - QG2 VAL 99 10.000% * 12.7249% (0.12 0.40 1.69) = 12.725% kept HG3 ARG+ 84 - QG2 VAL 99 10.000% * 5.0330% (0.10 0.19 0.02) = 5.033% kept HB3 MET 126 - QG2 VAL 99 10.000% * 0.6230% (0.12 0.02 0.02) = 0.623% HB3 LYS+ 66 - QG2 VAL 99 10.000% * 0.6066% (0.12 0.02 0.02) = 0.607% HB3 LYS+ 81 - QG2 VAL 99 10.000% * 0.5802% (0.11 0.02 0.36) = 0.580% HD3 LYS+ 55 - QG2 VAL 99 10.000% * 0.3559% (0.07 0.02 0.02) = 0.356% HG13 ILE 19 - QG2 VAL 99 10.000% * 0.2818% (0.05 0.02 0.02) = 0.282% HG2 PRO 52 - QG2 VAL 99 10.000% * 0.1940% (0.04 0.02 0.52) = 0.194% Reference assignment not found: HB3 ARG+ 22 - QG2 VAL 99 Peak 2997 (1.59, 1.02, 23.13 ppm): 9 chemical-shift based assignments, quality = 0.652, support = 0.619, residual support = 0.27: HB3 PRO 52 - QG1 VAL 99 11.111% * 36.7277% (0.66 0.86 0.52) = 36.728% kept HB3 LYS+ 32 - QG1 VAL 99 11.111% * 27.0280% (0.79 0.53 0.13) = 27.028% kept HD3 LYS+ 32 - QG1 VAL 99 11.111% * 21.7236% (0.77 0.44 0.13) = 21.724% kept HB ILE 19 - QG1 VAL 99 11.111% * 9.0670% (0.24 0.59 0.02) = 9.067% kept HG LEU 17 - QG1 VAL 99 11.111% * 4.0772% (0.21 0.29 0.32) = 4.077% kept HG2 LYS+ 110 - QG1 VAL 99 11.111% * 0.6751% (0.52 0.02 0.02) = 0.675% HG3 LYS+ 78 - QG1 VAL 99 11.111% * 0.3095% (0.24 0.02 0.02) = 0.309% HD3 LYS+ 60 - QG1 VAL 99 11.111% * 0.2203% (0.17 0.02 0.02) = 0.220% HD3 LYS+ 81 - QG1 VAL 99 11.111% * 0.1717% (0.13 0.02 0.36) = 0.172% 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 = 0.497, support = 0.543, residual support = 0.19: HB3 LYS+ 32 - QG1 VAL 99 9.091% * 29.1592% (0.76 0.53 0.13) = 29.159% kept HB ILE 19 - QG1 VAL 99 9.091% * 21.7701% (0.51 0.59 0.02) = 21.770% kept HB3 PRO 52 - QG1 VAL 99 9.091% * 18.6133% (0.29 0.86 0.52) = 18.613% kept HD3 LYS+ 32 - QG1 VAL 99 9.091% * 13.1513% (0.41 0.44 0.13) = 13.151% kept HG LEU 17 - QG1 VAL 99 9.091% * 10.2344% (0.47 0.29 0.32) = 10.234% kept HG12 ILE 29 - QG1 VAL 99 9.091% * 3.7462% (0.17 0.29 0.02) = 3.746% kept HB3 LEU 90 - QG1 VAL 99 9.091% * 1.6640% (0.14 0.17 0.02) = 1.664% kept HD3 LYS+ 60 - QG1 VAL 99 9.091% * 0.6043% (0.41 0.02 0.02) = 0.604% HD3 LYS+ 81 - QG1 VAL 99 9.091% * 0.5150% (0.35 0.02 0.36) = 0.515% HG2 LYS+ 110 - QG1 VAL 99 9.091% * 0.2864% (0.20 0.02 0.02) = 0.286% QB ALA 42 - QG1 VAL 99 9.091% * 0.2557% (0.17 0.02 0.02) = 0.256% Peak 3004 (1.46, 0.73, 23.14 ppm): 22 chemical-shift based assignments, quality = 0.53, support = 2.11, residual support = 30.8: * O T HB3 LYS+ 44 - HG3 LYS+ 44 4.545% * 54.3228% (0.32 10.0 10.00 3.30 56.31) = 54.323% kept HB3 LEU 67 - HG3 LYS+ 44 4.545% * 8.3974% (0.80 1.0 1.00 1.22 0.80) = 8.397% kept HB3 LEU 67 - QG2 VAL 65 4.545% * 7.6101% (0.86 1.0 1.00 1.03 0.72) = 7.610% kept T HB3 LYS+ 44 - QG2 VAL 65 4.545% * 6.6752% (0.34 1.0 10.00 0.23 0.02) = 6.675% kept HG2 PRO 59 - QG2 VAL 65 4.545% * 5.5639% (0.94 1.0 1.00 0.69 0.02) = 5.564% kept HG13 ILE 48 - HG3 LYS+ 44 4.545% * 5.3200% (0.92 1.0 1.00 0.67 0.51) = 5.320% kept HG13 ILE 48 - QG2 VAL 65 4.545% * 4.4180% (0.99 1.0 1.00 0.52 1.26) = 4.418% kept HG3 LYS+ 60 - QG2 VAL 65 4.545% * 4.2869% (0.94 1.0 1.00 0.53 0.02) = 4.287% kept HG2 PRO 59 - HG3 LYS+ 44 4.545% * 2.0575% (0.87 1.0 1.00 0.27 0.02) = 2.057% kept HG3 LYS+ 60 - HG3 LYS+ 44 4.545% * 0.6506% (0.87 1.0 1.00 0.09 0.02) = 0.651% HG3 PRO 52 - QG2 VAL 65 4.545% * 0.1577% (0.92 1.0 1.00 0.02 0.02) = 0.158% HG3 PRO 52 - HG3 LYS+ 44 4.545% * 0.1470% (0.85 1.0 1.00 0.02 0.02) = 0.147% HG LEU 90 - QG2 VAL 65 4.545% * 0.0641% (0.37 1.0 1.00 0.02 0.02) = 0.064% HG LEU 90 - HG3 LYS+ 44 4.545% * 0.0598% (0.35 1.0 1.00 0.02 0.02) = 0.060% QB ALA 70 - QG2 VAL 65 4.545% * 0.0527% (0.31 1.0 1.00 0.02 0.02) = 0.053% QB ALA 70 - HG3 LYS+ 44 4.545% * 0.0492% (0.29 1.0 1.00 0.02 0.02) = 0.049% HG3 LYS+ 113 - QG2 VAL 65 4.545% * 0.0338% (0.20 1.0 1.00 0.02 0.02) = 0.034% HG3 LYS+ 113 - HG3 LYS+ 44 4.545% * 0.0315% (0.18 1.0 1.00 0.02 0.02) = 0.032% HG3 LYS+ 55 - QG2 VAL 65 4.545% * 0.0264% (0.15 1.0 1.00 0.02 0.02) = 0.026% HG3 ARG+ 22 - QG2 VAL 65 4.545% * 0.0264% (0.15 1.0 1.00 0.02 0.02) = 0.026% HG3 LYS+ 55 - HG3 LYS+ 44 4.545% * 0.0246% (0.14 1.0 1.00 0.02 0.02) = 0.025% HG3 ARG+ 22 - HG3 LYS+ 44 4.545% * 0.0246% (0.14 1.0 1.00 0.02 0.02) = 0.025% Peak 3015 (1.00, 1.01, 23.12 ppm): 1 diagonal assignment: * QG1 VAL 99 - QG1 VAL 99 (0.88) kept Peak 3016 (0.95, 0.95, 23.15 ppm): 1 diagonal assignment: * QG2 VAL 99 - QG2 VAL 99 (0.11) kept Peak 3020 (0.74, 1.01, 23.14 ppm): 8 chemical-shift based assignments, quality = 0.716, support = 0.748, residual support = 0.677: QG2 ILE 101 - QG1 VAL 99 12.500% * 22.8694% (0.36 1.57 2.72) = 22.869% kept QG2 ILE 48 - QG1 VAL 99 12.500% * 21.8953% (0.57 0.95 0.20) = 21.895% kept HG3 LYS+ 66 - QG1 VAL 99 12.500% * 15.2769% (0.97 0.39 0.02) = 15.277% kept QG2 VAL 65 - QG1 VAL 99 12.500% * 14.7596% (0.93 0.40 0.02) = 14.760% kept QD1 ILE 68 - QG1 VAL 99 12.500% * 11.4477% (0.88 0.32 0.02) = 11.448% kept HG3 LYS+ 44 - QG1 VAL 99 12.500% * 7.5941% (0.97 0.19 0.02) = 7.594% kept QG1 VAL 40 - QG1 VAL 99 12.500% * 5.8035% (0.85 0.17 0.02) = 5.804% kept HG LEU 74 - QG1 VAL 99 12.500% * 0.3534% (0.44 0.02 0.02) = 0.353% Peak 3021 (0.74, 0.73, 23.16 ppm): 2 diagonal assignments: * QG2 VAL 65 - QG2 VAL 65 (0.97) kept HG3 LYS+ 44 - HG3 LYS+ 44 (0.88) kept Peak 3023 (0.59, 0.58, 23.10 ppm): 1 diagonal assignment: * QD1 LEU 23 - QD1 LEU 23 (0.27) kept Peak 3024 (0.58, 1.01, 23.13 ppm): 3 chemical-shift based assignments, quality = 0.516, support = 1.24, residual support = 5.55: T QD1 ILE 101 - QG1 VAL 99 33.333% * 74.2170% (0.44 10.00 0.99 2.72) = 74.217% kept * QD1 LEU 23 - QG1 VAL 99 33.333% * 25.4831% (0.75 1.00 1.99 13.87) = 25.483% kept QG2 VAL 122 - QG1 VAL 99 33.333% * 0.2999% (0.88 1.00 0.02 0.02) = 0.300% Peak 3025 (0.57, 0.73, 23.12 ppm): 6 chemical-shift based assignments, quality = 0.463, support = 2.11, residual support = 5.56: T QD1 ILE 101 - QG2 VAL 65 16.667% * 98.3745% (0.47 10.00 2.15 5.65) = 98.375% kept T QD1 ILE 101 - HG3 LYS+ 44 16.667% * 0.9819% (0.47 10.00 0.02 0.02) = 0.982% QG2 VAL 122 - QG2 VAL 65 16.667% * 0.1753% (0.84 1.00 0.02 0.02) = 0.175% QG2 VAL 122 - HG3 LYS+ 44 16.667% * 0.1750% (0.84 1.00 0.02 0.02) = 0.175% QD1 LEU 23 - QG2 VAL 65 16.667% * 0.1468% (0.70 1.00 0.02 0.02) = 0.147% QD1 LEU 23 - HG3 LYS+ 44 16.667% * 0.1465% (0.70 1.00 0.02 0.02) = 0.146% Peak 3026 (0.12, 1.01, 23.14 ppm): 1 chemical-shift based assignment, quality = 0.989, support = 0.264, residual support = 0.264: QG2 VAL 47 - QG1 VAL 99 100.000% *100.0000% (0.99 0.26 0.26) = 100.000% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 3027 (0.11, 0.95, 23.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3028 (0.11, 0.73, 23.12 ppm): 2 chemical-shift based assignments, quality = 0.838, support = 2.24, residual support = 20.5: * T QG2 VAL 47 - HG3 LYS+ 44 50.000% * 96.0929% (0.84 10.00 2.33 21.28) = 96.093% kept T QG2 VAL 47 - QG2 VAL 65 50.000% * 3.9071% (0.84 10.00 0.08 0.02) = 3.907% kept Peak 3040 (2.49, 5.29, 23.12 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3045 (7.01, 5.32, 62.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3049 (0.92, 5.26, 62.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3050 (4.16, 5.35, 62.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3051 (4.15, 5.44, 62.52 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3052 (4.13, 5.42, 62.56 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3053 (4.03, 5.31, 62.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3054 (2.69, 5.30, 62.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3055 (4.17, 5.26, 62.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3056 (0.93, 5.78, 62.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3057 (0.93, 5.67, 62.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3058 (0.93, 5.64, 62.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3059 (0.92, 5.50, 62.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3060 (0.92, 5.26, 62.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3061 (4.32, 5.51, 61.92 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3062 (4.33, 5.34, 61.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3063 (4.32, 5.37, 61.86 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3064 (4.32, 5.26, 61.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3065 (2.06, 5.30, 61.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3066 (3.63, 5.31, 61.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3067 (1.34, 5.35, 61.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3068 (5.37, 5.36, 60.03 ppm): 1 diagonal assignment: * HA THR 79 - HA THR 79 (0.93) kept Peak 3069 (4.73, 5.37, 60.01 ppm): 6 chemical-shift based assignments, quality = 0.607, support = 1.89, residual support = 9.88: HA THR 39 - HA THR 79 16.667% * 59.1976% (0.52 2.81 16.04) = 59.198% kept HA LYS+ 20 - HA THR 79 16.667% * 24.0266% (0.89 0.67 1.30) = 24.027% kept HA2 GLY 30 - HA THR 79 16.667% * 10.3325% (0.60 0.43 0.20) = 10.333% kept HA THR 61 - HA THR 79 16.667% * 6.1200% (0.37 0.41 0.80) = 6.120% kept HA VAL 99 - HA THR 79 16.667% * 0.1998% (0.25 0.02 0.02) = 0.200% HA GLN 16 - HA THR 79 16.667% * 0.1236% (0.15 0.02 0.02) = 0.124% Peak 3070 (4.49, 5.37, 60.01 ppm): 9 chemical-shift based assignments, quality = 0.82, support = 3.13, residual support = 27.3: * O HB THR 79 - HA THR 79 11.111% * 98.1788% (0.82 10.0 3.18 27.82) = 98.179% kept HA SER 77 - HA THR 79 11.111% * 1.3939% (0.98 1.0 0.24 0.02) = 1.394% kept HA CYS 123 - HA THR 79 11.111% * 0.1175% (0.98 1.0 0.02 0.02) = 0.118% HA LYS+ 32 - HA THR 79 11.111% * 0.0807% (0.68 1.0 0.02 0.02) = 0.081% HA LYS+ 55 - HA THR 79 11.111% * 0.0665% (0.56 1.0 0.02 0.02) = 0.067% HA MET 126 - HA THR 79 11.111% * 0.0572% (0.48 1.0 0.02 0.02) = 0.057% HA GLN 102 - HA THR 79 11.111% * 0.0363% (0.30 1.0 0.02 0.02) = 0.036% HA ILE 100 - HA THR 79 11.111% * 0.0363% (0.30 1.0 0.02 0.02) = 0.036% HB THR 46 - HA THR 79 11.111% * 0.0327% (0.27 1.0 0.02 0.02) = 0.033% Peak 3071 (1.37, 5.29, 60.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3072 (1.10, 5.36, 60.06 ppm): 4 chemical-shift based assignments, quality = 0.884, support = 3.39, residual support = 27.4: * O QG2 THR 79 - HA THR 79 25.000% * 98.5198% (0.89 10.0 3.43 27.82) = 98.520% kept QG2 THR 95 - HA THR 79 25.000% * 1.4169% (0.37 1.0 0.70 0.02) = 1.417% kept QG2 THR 61 - HA THR 79 25.000% * 0.0481% (0.44 1.0 0.02 0.80) = 0.048% HD3 LYS+ 111 - HA THR 79 25.000% * 0.0152% (0.14 1.0 0.02 0.02) = 0.015% Peak 3073 (8.58, 5.35, 59.83 ppm): 4 chemical-shift based assignments, quality = 0.516, support = 3.38, residual support = 15.8: * O HN VAL 80 - HA THR 79 25.000% * 86.2258% (0.52 10.0 3.51 16.14) = 86.226% kept HN THR 39 - HA THR 79 25.000% * 11.7833% (0.51 1.0 2.80 16.04) = 11.783% kept HN LYS+ 20 - HA THR 79 25.000% * 1.8999% (0.19 1.0 1.22 1.30) = 1.900% kept HN VAL 73 - HA THR 79 25.000% * 0.0909% (0.55 1.0 0.02 0.02) = 0.091% Peak 3074 (5.78, 5.26, 59.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3075 (6.70, 5.31, 59.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3110 (8.97, 5.27, 55.99 ppm): 6 chemical-shift based assignments, quality = 0.313, support = 2.41, residual support = 13.8: * O HN ARG+ 22 - HA PHE 21 16.667% * 54.9767% (0.27 10.0 2.74 10.51) = 54.977% kept O HN PHE 21 - HA PHE 21 16.667% * 30.5089% (0.15 10.0 2.70 25.27) = 30.509% kept HN MET 97 - HA PHE 21 16.667% * 6.5383% (0.85 1.0 0.76 1.81) = 6.538% kept HN ILE 19 - HA PHE 21 16.667% * 5.1866% (0.97 1.0 0.53 4.21) = 5.187% kept HN LEU 17 - HA PHE 21 16.667% * 1.8552% (0.67 1.0 0.27 0.02) = 1.855% kept HN THR 96 - HA PHE 21 16.667% * 0.9343% (0.22 1.0 0.42 0.02) = 0.934% Peak 3111 (5.28, 5.27, 56.01 ppm): 1 diagonal assignment: * HA PHE 21 - HA PHE 21 (0.89) kept Peak 3121 (0.93, 5.27, 55.83 ppm): 11 chemical-shift based assignments, quality = 0.503, support = 0.991, residual support = 6.43: QG2 VAL 105 - HA PHE 21 9.091% * 36.7788% (0.62 1.36 0.27) = 36.779% kept QG2 ILE 29 - HA PHE 21 9.091% * 21.0649% (0.40 1.20 27.92) = 21.065% kept QG2 VAL 62 - HA PHE 21 9.091% * 15.7239% (0.50 0.73 0.26) = 15.724% kept QG1 VAL 105 - HA PHE 21 9.091% * 8.9720% (0.62 0.33 0.27) = 8.972% kept HG12 ILE 68 - HA PHE 21 9.091% * 7.3503% (0.54 0.31 0.02) = 7.350% kept * QG2 VAL 99 - HA PHE 21 9.091% * 7.1228% (0.17 0.95 5.39) = 7.123% kept QG2 VAL 73 - HA PHE 21 9.091% * 1.5590% (0.42 0.08 0.02) = 1.559% kept QD1 LEU 17 - HA PHE 21 9.091% * 0.5407% (0.62 0.02 0.02) = 0.541% HG3 LYS+ 110 - HA PHE 21 9.091% * 0.4329% (0.50 0.02 0.02) = 0.433% QG2 VAL 80 - HA PHE 21 9.091% * 0.3714% (0.42 0.02 0.02) = 0.371% HG3 LYS+ 117 - HA PHE 21 9.091% * 0.0834% (0.10 0.02 0.02) = 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 = 0.629, support = 4.91, residual support = 25.2: * O HN ILE 29 - HA ASP- 28 50.000% * 92.4597% (0.66 10.0 5.02 26.71) = 92.460% kept HN LEU 23 - HA ASP- 28 50.000% * 7.5403% (0.29 1.0 3.65 6.17) = 7.540% kept Peak 3148 (5.98, 5.98, 53.57 ppm): 1 diagonal assignment: * HA ASP- 28 - HA ASP- 28 (0.85) kept Peak 3149 (5.20, 5.97, 53.58 ppm): 1 chemical-shift based assignment, quality = 0.677, support = 2.0, residual support = 4.21: * T HA ARG+ 22 - HA ASP- 28 100.000% *100.0000% (0.68 10.00 2.00 4.21) = 100.000% kept Peak 3165 (2.38, 5.97, 53.61 ppm): 6 chemical-shift based assignments, quality = 0.679, support = 3.28, residual support = 35.7: * O T HB3 ASP- 28 - HA ASP- 28 16.667% * 94.1962% (0.68 10.0 10.00 3.45 37.87) = 94.196% kept HG2 PRO 112 - HA ASP- 28 16.667% * 3.1059% (0.53 1.0 1.00 0.85 0.02) = 3.106% kept HB2 LYS+ 78 - HA ASP- 28 16.667% * 2.5631% (0.74 1.0 1.00 0.50 0.47) = 2.563% kept HB3 GLU- 50 - HA ASP- 28 16.667% * 0.0885% (0.64 1.0 1.00 0.02 0.02) = 0.089% HG3 GLU- 50 - HA ASP- 28 16.667% * 0.0284% (0.21 1.0 1.00 0.02 0.02) = 0.028% HB2 GLU- 64 - HA ASP- 28 16.667% * 0.0179% (0.13 1.0 1.00 0.02 0.02) = 0.018% Peak 3166 (2.14, 5.98, 53.56 ppm): 11 chemical-shift based assignments, quality = 0.94, support = 2.91, residual support = 36.3: * O T HB2 ASP- 28 - HA ASP- 28 9.091% * 95.7727% (0.95 10.0 10.00 3.00 37.87) = 95.773% kept HG2 PRO 112 - HA ASP- 28 9.091% * 3.7708% (0.88 1.0 1.00 0.85 0.02) = 3.771% kept HB3 LYS+ 78 - HA ASP- 28 9.091% * 0.0774% (0.77 1.0 1.00 0.02 0.47) = 0.077% HG2 GLU- 45 - HA ASP- 28 9.091% * 0.0774% (0.77 1.0 1.00 0.02 0.02) = 0.077% HB3 GLU- 75 - HA ASP- 28 9.091% * 0.0731% (0.72 1.0 1.00 0.02 0.02) = 0.073% HB VAL 47 - HA ASP- 28 9.091% * 0.0625% (0.62 1.0 1.00 0.02 0.02) = 0.063% HB VAL 105 - HA ASP- 28 9.091% * 0.0586% (0.58 1.0 1.00 0.02 0.02) = 0.059% HB2 GLU- 56 - HA ASP- 28 9.091% * 0.0363% (0.36 1.0 1.00 0.02 0.02) = 0.036% HB VAL 87 - HA ASP- 28 9.091% * 0.0330% (0.33 1.0 1.00 0.02 0.02) = 0.033% HG2 PRO 104 - HA ASP- 28 9.091% * 0.0215% (0.21 1.0 1.00 0.02 0.02) = 0.022% HB3 LEU 43 - HA ASP- 28 9.091% * 0.0169% (0.17 1.0 1.00 0.02 0.02) = 0.017% Peak 3167 (8.88, 5.57, 52.75 ppm): 3 chemical-shift based assignments, quality = 0.469, support = 5.29, residual support = 31.0: * O HN ILE 68 - HA LEU 67 33.333% * 88.4642% (0.43 10.0 5.79 34.91) = 88.464% kept HN ASP- 36 - HA LEU 67 33.333% * 11.5010% (0.76 1.0 1.48 0.59) = 11.501% kept HN GLN 102 - HA LEU 67 33.333% * 0.0348% (0.17 1.0 0.02 0.02) = 0.035% Peak 3168 (5.57, 5.57, 52.76 ppm): 1 diagonal assignment: * HA LEU 67 - HA LEU 67 (0.76) kept Peak 3173 (1.21, 5.56, 52.82 ppm): 3 chemical-shift based assignments, quality = 0.833, support = 6.62, residual support = 112.1: * O T HB2 LEU 67 - HA LEU 67 33.333% * 97.2545% (0.84 10.0 10.00 6.78 115.02) = 97.255% kept HG12 ILE 100 - HA LEU 67 33.333% * 2.6565% (0.52 1.0 1.00 0.88 8.65) = 2.657% kept HB3 ARG+ 22 - HA LEU 67 33.333% * 0.0890% (0.77 1.0 1.00 0.02 0.32) = 0.089% Peak 3174 (0.91, 5.57, 52.81 ppm): 13 chemical-shift based assignments, quality = 0.691, support = 6.18, residual support = 86.1: * QD1 LEU 67 - HA LEU 67 7.692% * 65.3802% (0.79 6.96 115.02) = 65.380% kept HG12 ILE 68 - HA LEU 67 7.692% * 31.0522% (0.50 5.23 34.91) = 31.052% kept QG1 VAL 47 - HA LEU 67 7.692% * 2.4595% (0.74 0.28 0.46) = 2.459% kept HG3 LYS+ 117 - HA LEU 67 7.692% * 0.1983% (0.83 0.02 0.02) = 0.198% QG2 VAL 80 - HA LEU 67 7.692% * 0.1602% (0.67 0.02 0.02) = 0.160% QG2 VAL 87 - HA LEU 67 7.692% * 0.1602% (0.67 0.02 0.02) = 0.160% QG2 VAL 40 - HA LEU 67 7.692% * 0.1602% (0.67 0.02 0.02) = 0.160% HG3 LYS+ 110 - HA LEU 67 7.692% * 0.1356% (0.57 0.02 0.02) = 0.136% QG1 VAL 80 - HA LEU 67 7.692% * 0.0862% (0.36 0.02 0.02) = 0.086% QG2 VAL 105 - HA LEU 67 7.692% * 0.0647% (0.27 0.02 0.02) = 0.065% QD1 LEU 17 - HA LEU 67 7.692% * 0.0583% (0.25 0.02 0.02) = 0.058% QG1 VAL 105 - HA LEU 67 7.692% * 0.0523% (0.22 0.02 0.02) = 0.052% QG2 VAL 125 - HA LEU 67 7.692% * 0.0323% (0.14 0.02 0.02) = 0.032% Peak 3178 (-0.10, 5.28, 51.29 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3201 (0.89, 5.29, 43.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3202 (8.72, 5.32, 43.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3203 (9.28, 5.30, 43.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3204 (7.82, 5.29, 42.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3216 (8.27, 5.30, 41.59 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3220 (6.60, 5.30, 39.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3221 (7.72, 5.34, 39.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3222 (6.25, 5.28, 39.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3229 (1.99, 5.29, 39.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3231 (4.85, 5.28, 39.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3244 (7.02, 5.34, 34.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3249 (8.28, 5.33, 72.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3250 (4.93, 5.30, 71.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3260 (9.49, 5.29, 29.92 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3273 (4.73, 5.29, 27.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3274 (9.50, 5.33, 26.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3298 (0.82, 0.82, 21.27 ppm): 2 diagonal assignments: * QG1 VAL 94 - QG1 VAL 94 (0.46) kept QG2 VAL 13 - QG2 VAL 13 (0.05) kept Peak 3300 (0.91, 0.91, 20.89 ppm): 2 diagonal assignments: * HG3 LYS+ 110 - HG3 LYS+ 110 (0.32) kept QG2 VAL 87 - QG2 VAL 87 (0.19) kept Peak 3301 (0.84, 0.83, 20.87 ppm): 1 diagonal assignment: * QG2 VAL 13 - QG2 VAL 13 (0.72) kept Peak 3302 (1.38, 1.37, 18.84 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: QB ALA 91 - QB ALA 91 Peak unassigned. Peak 3303 (0.86, 0.86, 17.88 ppm): 1 diagonal assignment: * QG2 ILE 100 - QG2 ILE 100 (0.34) kept Peak 3304 (2.06, 0.71, 17.86 ppm): 26 chemical-shift based assignments, quality = 0.809, support = 5.45, residual support = 107.1: * O HB ILE 101 - QG2 ILE 101 3.846% * 82.9174% (0.84 10.0 6.33 128.96) = 82.917% kept HB3 GLU- 75 - QG2 ILE 101 3.846% * 7.0893% (0.81 1.0 1.77 1.35) = 7.089% kept HB VAL 62 - QG2 ILE 101 3.846% * 3.2508% (0.90 1.0 0.73 0.80) = 3.251% kept HG3 PRO 86 - QG2 ILE 101 3.846% * 2.9521% (0.45 1.0 1.31 0.11) = 2.952% kept HG2 GLN 16 - QG2 ILE 101 3.846% * 1.2744% (0.53 1.0 0.49 0.02) = 1.274% kept HG2 PRO 112 - QG2 ILE 101 3.846% * 1.1602% (0.68 1.0 0.34 0.02) = 1.160% kept HB2 GLU- 45 - QG2 ILE 101 3.846% * 0.8668% (0.57 1.0 0.31 0.02) = 0.867% HB3 LYS+ 120 - QG2 ILE 101 3.846% * 0.0671% (0.68 1.0 0.02 0.02) = 0.067% HB VAL 62 - QG2 ILE 68 3.846% * 0.0435% (0.44 1.0 0.02 0.02) = 0.044% HB ILE 101 - QG2 ILE 68 3.846% * 0.0404% (0.41 1.0 0.02 0.10) = 0.040% HB3 GLU- 75 - QG2 ILE 68 3.846% * 0.0390% (0.39 1.0 0.02 0.02) = 0.039% HG2 PRO 112 - QG2 ILE 68 3.846% * 0.0330% (0.33 1.0 0.02 0.02) = 0.033% HB3 LYS+ 120 - QG2 ILE 68 3.846% * 0.0327% (0.33 1.0 0.02 0.02) = 0.033% HD3 LYS+ 110 - QG2 ILE 101 3.846% * 0.0315% (0.32 1.0 0.02 0.77) = 0.032% HB2 GLU- 45 - QG2 ILE 68 3.846% * 0.0273% (0.28 1.0 0.02 0.02) = 0.027% HB2 LYS+ 110 - QG2 ILE 101 3.846% * 0.0257% (0.26 1.0 0.02 0.77) = 0.026% HG2 GLN 16 - QG2 ILE 68 3.846% * 0.0255% (0.26 1.0 0.02 0.02) = 0.026% HG3 PRO 86 - QG2 ILE 68 3.846% * 0.0219% (0.22 1.0 0.02 0.02) = 0.022% HB VAL 125 - QG2 ILE 101 3.846% * 0.0206% (0.21 1.0 0.02 0.02) = 0.021% HB3 LYS+ 110 - QG2 ILE 101 3.846% * 0.0162% (0.16 1.0 0.02 0.77) = 0.016% HD3 LYS+ 110 - QG2 ILE 68 3.846% * 0.0154% (0.16 1.0 0.02 0.02) = 0.015% HB2 LYS+ 110 - QG2 ILE 68 3.846% * 0.0125% (0.13 1.0 0.02 0.02) = 0.013% HB2 MET 118 - QG2 ILE 101 3.846% * 0.0125% (0.13 1.0 0.02 0.02) = 0.013% HB VAL 125 - QG2 ILE 68 3.846% * 0.0100% (0.10 1.0 0.02 0.02) = 0.010% HB3 LYS+ 110 - QG2 ILE 68 3.846% * 0.0079% (0.08 1.0 0.02 0.02) = 0.008% HB2 MET 118 - QG2 ILE 68 3.846% * 0.0061% (0.06 1.0 0.02 0.02) = 0.006% Peak 3305 (9.31, 0.95, 17.31 ppm): 2 chemical-shift based assignments, quality = 0.849, support = 5.24, residual support = 53.2: * HN ILE 29 - QG2 ILE 29 50.000% * 82.6312% (0.92 5.89 61.33) = 82.631% kept HN LEU 23 - QG2 ILE 29 50.000% * 17.3688% (0.52 2.17 14.54) = 17.369% kept Peak 3306 (0.91, 3.93, 56.31 ppm): 13 chemical-shift based assignments, quality = 0.627, support = 2.25, residual support = 8.17: QG2 VAL 40 - HA LEU 74 7.692% * 37.0075% (0.55 3.96 11.48) = 37.008% kept * QD1 LEU 67 - HA LEU 74 7.692% * 21.0440% (0.69 1.79 17.19) = 21.044% kept HG3 LYS+ 117 - HA LEU 74 7.692% * 17.1369% (0.75 1.33 1.02) = 17.137% kept QG1 VAL 47 - HA LEU 74 7.692% * 10.4374% (0.62 0.99 0.36) = 10.437% kept HG12 ILE 68 - HA LEU 74 7.692% * 7.8959% (0.65 0.71 1.08) = 7.896% kept QG2 VAL 80 - HA LEU 74 7.692% * 3.8366% (0.81 0.28 0.02) = 3.837% kept QG1 VAL 80 - HA LEU 74 7.692% * 1.7864% (0.25 0.42 0.02) = 1.786% kept HG3 LYS+ 110 - HA LEU 74 7.692% * 0.2466% (0.72 0.02 0.02) = 0.247% QG2 VAL 87 - HA LEU 74 7.692% * 0.1868% (0.55 0.02 0.02) = 0.187% QG2 VAL 105 - HA LEU 74 7.692% * 0.1381% (0.40 0.02 0.02) = 0.138% QD1 LEU 17 - HA LEU 74 7.692% * 0.1266% (0.37 0.02 0.02) = 0.127% QG1 VAL 105 - HA LEU 74 7.692% * 0.1156% (0.34 0.02 0.02) = 0.116% QG2 VAL 62 - HA LEU 74 7.692% * 0.0417% (0.12 0.02 0.02) = 0.042% Peak 3307 (2.37, 3.93, 56.31 ppm): 7 chemical-shift based assignments, quality = 0.724, support = 1.42, residual support = 1.59: HG3 GLU- 50 - HA LEU 74 14.286% * 41.9329% (0.69 1.99 2.02) = 41.933% kept HB3 GLU- 50 - HA LEU 74 14.286% * 32.2715% (0.85 1.24 2.02) = 32.272% kept HG2 PRO 112 - HA LEU 74 14.286% * 17.9350% (0.68 0.86 0.48) = 17.935% kept HB2 GLU- 64 - HA LEU 74 14.286% * 7.1485% (0.55 0.43 0.02) = 7.148% kept HB2 LYS+ 78 - HA LEU 74 14.286% * 0.3793% (0.62 0.02 0.02) = 0.379% HB3 ASP- 28 - HA LEU 74 14.286% * 0.2476% (0.40 0.02 0.02) = 0.248% HG3 GLU- 56 - HA LEU 74 14.286% * 0.0852% (0.14 0.02 0.02) = 0.085% Peak 3308 (4.00, 0.69, 14.32 ppm): 8 chemical-shift based assignments, quality = 0.881, support = 3.0, residual support = 31.9: * T HB THR 95 - QD1 ILE 19 12.500% * 93.5300% (0.89 10.00 3.14 34.03) = 93.530% kept HA1 GLY 92 - QD1 ILE 19 12.500% * 5.1031% (0.83 1.00 1.17 0.71) = 5.103% kept HA THR 38 - QD1 ILE 19 12.500% * 1.3145% (0.72 1.00 0.35 0.02) = 1.314% kept HA VAL 13 - QD1 ILE 19 12.500% * 0.0356% (0.34 1.00 0.02 0.02) = 0.036% HB THR 95 - QD1 ILE 68 12.500% * 0.0054% (0.05 1.00 0.02 0.02) = 0.005% HA1 GLY 92 - QD1 ILE 68 12.500% * 0.0050% (0.05 1.00 0.02 0.02) = 0.005% HA THR 38 - QD1 ILE 68 12.500% * 0.0044% (0.04 1.00 0.02 0.02) = 0.004% HA VAL 13 - QD1 ILE 68 12.500% * 0.0021% (0.02 1.00 0.02 0.02) = 0.002% Peak 3309 (0.69, 0.69, 14.32 ppm): 1 diagonal assignment: * QD1 ILE 19 - QD1 ILE 19 (0.97) kept Peak 3310 (2.94, 0.80, 12.73 ppm): 3 chemical-shift based assignments, quality = 0.276, support = 0.282, residual support = 0.197: HB2 HIS+ 98 - QD1 ILE 100 33.333% * 76.6224% (0.19 0.36 0.25) = 76.622% kept HE3 LYS+ 60 - QD1 ILE 100 33.333% * 12.9694% (0.60 0.02 0.02) = 12.969% kept HB2 CYS 121 - QD1 ILE 100 33.333% * 10.4082% (0.48 0.02 0.02) = 10.408% kept Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 3311 (0.83, 3.28, 50.26 ppm): 8 chemical-shift based assignments, quality = 0.928, support = 3.01, residual support = 5.85: T QD1 ILE 29 - HD2 PRO 52 12.500% * 46.0622% (0.97 10.00 2.60 3.62) = 46.062% kept T QG1 VAL 13 - HD2 PRO 52 12.500% * 46.0622% (0.97 10.00 3.71 8.43) = 46.062% kept QD2 LEU 17 - HD2 PRO 52 12.500% * 3.2403% (0.74 1.00 1.82 2.64) = 3.240% kept QG2 VAL 13 - HD2 PRO 52 12.500% * 2.4911% (0.59 1.00 1.77 8.43) = 2.491% kept HG2 LYS+ 117 - HD2 PRO 52 12.500% * 0.8018% (0.85 1.00 0.40 0.02) = 0.802% QG1 VAL 94 - HD2 PRO 52 12.500% * 0.7563% (0.92 1.00 0.34 0.02) = 0.756% QD2 LEU 67 - HD2 PRO 52 12.500% * 0.5561% (0.37 1.00 0.64 0.14) = 0.556% QD2 LEU 90 - HD2 PRO 52 12.500% * 0.0301% (0.63 1.00 0.02 2.38) = 0.030% Peak 3312 (0.84, 1.88, 50.24 ppm): 9 chemical-shift based assignments, quality = 0.812, support = 2.52, residual support = 5.68: QG1 VAL 13 - HD3 PRO 52 11.111% * 37.6407% (0.89 3.53 8.43) = 37.641% kept QD1 ILE 29 - HD3 PRO 52 11.111% * 27.5371% (0.89 2.58 3.62) = 27.537% kept QG2 VAL 13 - HD3 PRO 52 11.111% * 14.3917% (0.77 1.56 8.43) = 14.392% kept QD2 LEU 17 - HD3 PRO 52 11.111% * 11.0633% (0.49 1.90 2.64) = 11.063% kept HG2 LYS+ 117 - HD3 PRO 52 11.111% * 4.2260% (0.92 0.39 0.02) = 4.226% kept QG1 VAL 94 - HD3 PRO 52 11.111% * 3.2356% (0.71 0.38 0.02) = 3.236% kept QD2 LEU 67 - HD3 PRO 52 11.111% * 1.7807% (0.18 0.81 0.14) = 1.781% kept QD2 LEU 90 - HD3 PRO 52 11.111% * 0.0908% (0.38 0.02 2.38) = 0.091% QD1 LEU 90 - HD3 PRO 52 11.111% * 0.0341% (0.14 0.02 2.38) = 0.034% Peak 3313 (1.97, 3.61, 50.61 ppm): 39 chemical-shift based assignments, quality = 0.314, support = 2.59, residual support = 26.1: * O HG3 PRO 104 - HD2 PRO 104 2.564% * 41.8515% (0.37 10.0 1.00 2.32 38.96) = 41.851% kept T HG3 PRO 104 - HD2 PRO 112 2.564% * 34.7651% (0.36 1.0 10.00 1.68 3.72) = 34.765% kept O T HG2 PRO 112 - HD2 PRO 112 2.564% * 18.9406% (0.17 10.0 10.00 5.00 39.48) = 18.941% kept O T HG3 PRO 31 - HD2 PRO 31 2.564% * 2.9529% (0.03 10.0 10.00 2.81 34.96) = 2.953% kept T HG3 PRO 116 - HD2 PRO 104 2.564% * 0.2561% (0.23 1.0 10.00 0.02 0.02) = 0.256% T HG3 PRO 116 - HD2 PRO 112 2.564% * 0.2529% (0.22 1.0 10.00 0.02 0.02) = 0.253% T HG2 PRO 112 - HD2 PRO 104 2.564% * 0.1918% (0.17 1.0 10.00 0.02 3.72) = 0.192% T HG3 PRO 31 - HD2 PRO 104 2.564% * 0.1303% (0.12 1.0 10.00 0.02 0.02) = 0.130% T HG3 PRO 116 - HD2 PRO 31 2.564% * 0.0580% (0.05 1.0 10.00 0.02 0.02) = 0.058% T HG2 PRO 112 - HD2 PRO 31 2.564% * 0.0435% (0.04 1.0 10.00 0.02 0.02) = 0.043% HB VAL 73 - HD2 PRO 104 2.564% * 0.0422% (0.37 1.0 1.00 0.02 0.02) = 0.042% HB VAL 73 - HD2 PRO 112 2.564% * 0.0417% (0.37 1.0 1.00 0.02 0.41) = 0.042% HB3 GLU- 56 - HD2 PRO 104 2.564% * 0.0399% (0.35 1.0 1.00 0.02 0.02) = 0.040% HB3 GLU- 56 - HD2 PRO 112 2.564% * 0.0394% (0.35 1.0 1.00 0.02 0.14) = 0.039% HB2 PRO 86 - HD2 PRO 104 2.564% * 0.0338% (0.30 1.0 1.00 0.02 0.02) = 0.034% HB2 PRO 86 - HD2 PRO 112 2.564% * 0.0334% (0.29 1.0 1.00 0.02 0.02) = 0.033% HB3 GLU- 109 - HD2 PRO 104 2.564% * 0.0323% (0.28 1.0 1.00 0.02 0.02) = 0.032% HB3 GLU- 109 - HD2 PRO 112 2.564% * 0.0319% (0.28 1.0 1.00 0.02 0.02) = 0.032% HB VAL 13 - HD2 PRO 104 2.564% * 0.0273% (0.24 1.0 1.00 0.02 0.02) = 0.027% HB VAL 13 - HD2 PRO 112 2.564% * 0.0270% (0.24 1.0 1.00 0.02 0.02) = 0.027% HB2 LYS+ 108 - HD2 PRO 104 2.564% * 0.0256% (0.23 1.0 1.00 0.02 0.02) = 0.026% HB2 LYS+ 108 - HD2 PRO 112 2.564% * 0.0253% (0.22 1.0 1.00 0.02 0.02) = 0.025% HB2 PRO 35 - HD2 PRO 104 2.564% * 0.0222% (0.20 1.0 1.00 0.02 0.02) = 0.022% HB2 PRO 35 - HD2 PRO 112 2.564% * 0.0219% (0.19 1.0 1.00 0.02 1.75) = 0.022% HG3 PRO 31 - HD2 PRO 112 2.564% * 0.0129% (0.11 1.0 1.00 0.02 0.02) = 0.013% HB3 LYS+ 55 - HD2 PRO 104 2.564% * 0.0117% (0.10 1.0 1.00 0.02 0.02) = 0.012% HB3 LYS+ 55 - HD2 PRO 112 2.564% * 0.0116% (0.10 1.0 1.00 0.02 0.68) = 0.012% HB VAL 73 - HD2 PRO 31 2.564% * 0.0096% (0.08 1.0 1.00 0.02 0.02) = 0.010% HG3 PRO 104 - HD2 PRO 31 2.564% * 0.0095% (0.08 1.0 1.00 0.02 0.02) = 0.009% HB3 GLU- 56 - HD2 PRO 31 2.564% * 0.0091% (0.08 1.0 1.00 0.02 0.02) = 0.009% HB2 PRO 86 - HD2 PRO 31 2.564% * 0.0077% (0.07 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 109 - HD2 PRO 31 2.564% * 0.0073% (0.06 1.0 1.00 0.02 0.02) = 0.007% HB2 GLU- 75 - HD2 PRO 104 2.564% * 0.0065% (0.06 1.0 1.00 0.02 0.02) = 0.007% HB2 GLU- 75 - HD2 PRO 112 2.564% * 0.0064% (0.06 1.0 1.00 0.02 0.30) = 0.006% HB VAL 13 - HD2 PRO 31 2.564% * 0.0062% (0.05 1.0 1.00 0.02 0.02) = 0.006% HB2 LYS+ 108 - HD2 PRO 31 2.564% * 0.0058% (0.05 1.0 1.00 0.02 0.02) = 0.006% HB2 PRO 35 - HD2 PRO 31 2.564% * 0.0050% (0.04 1.0 1.00 0.02 0.02) = 0.005% HB3 LYS+ 55 - HD2 PRO 31 2.564% * 0.0027% (0.02 1.0 1.00 0.02 0.02) = 0.003% HB2 GLU- 75 - HD2 PRO 31 2.564% * 0.0015% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 3314 (3.60, 3.59, 50.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3316 (2.23, 1.75, 47.61 ppm): 14 chemical-shift based assignments, quality = 0.487, support = 2.93, residual support = 16.4: * O T HA1 GLY 58 - HD3 PRO 59 7.143% * 91.3510% (0.48 10.0 10.00 3.16 17.89) = 91.351% kept HB2 GLU- 50 - HD3 PRO 59 7.143% * 4.4130% (0.56 1.0 1.00 0.84 0.81) = 4.413% kept HG3 GLU- 109 - HD3 PRO 59 7.143% * 1.9005% (0.66 1.0 1.00 0.30 0.02) = 1.900% kept HG3 GLN 102 - HD3 PRO 59 7.143% * 1.4397% (0.64 1.0 1.00 0.24 0.02) = 1.440% kept HG2 PRO 112 - HD3 PRO 59 7.143% * 0.1257% (0.66 1.0 1.00 0.02 0.02) = 0.126% HB2 PRO 52 - HD3 PRO 59 7.143% * 0.1255% (0.66 1.0 1.00 0.02 0.02) = 0.126% HG3 GLU- 18 - HD3 PRO 59 7.143% * 0.1128% (0.60 1.0 1.00 0.02 0.02) = 0.113% HB3 GLU- 45 - HD3 PRO 59 7.143% * 0.1007% (0.53 1.0 1.00 0.02 0.02) = 0.101% HG3 GLN 16 - HD3 PRO 59 7.143% * 0.0914% (0.48 1.0 1.00 0.02 0.55) = 0.091% HG3 MET 97 - HD3 PRO 59 7.143% * 0.0914% (0.48 1.0 1.00 0.02 0.02) = 0.091% HG3 GLU- 10 - HD3 PRO 59 7.143% * 0.0864% (0.46 1.0 1.00 0.02 0.02) = 0.086% HG3 MET 126 - HD3 PRO 59 7.143% * 0.0763% (0.40 1.0 1.00 0.02 0.02) = 0.076% HB3 ASN 15 - HD3 PRO 59 7.143% * 0.0662% (0.35 1.0 1.00 0.02 0.02) = 0.066% HG3 GLU- 107 - HD3 PRO 59 7.143% * 0.0194% (0.10 1.0 1.00 0.02 0.02) = 0.019% Peak 3317 (2.80, 1.86, 47.63 ppm): 6 chemical-shift based assignments, quality = 0.745, support = 2.42, residual support = 17.8: * O HA2 GLY 58 - HD2 PRO 59 16.667% * 99.6643% (0.75 10.0 2.43 17.89) = 99.664% kept HE3 LYS+ 32 - HD2 PRO 59 16.667% * 0.0986% (0.74 1.0 0.02 0.02) = 0.099% HE3 LYS+ 111 - HD2 PRO 59 16.667% * 0.0872% (0.65 1.0 0.02 0.02) = 0.087% HB3 ASN 89 - HD2 PRO 59 16.667% * 0.0730% (0.55 1.0 0.02 0.02) = 0.073% HB2 ASN 119 - HD2 PRO 59 16.667% * 0.0489% (0.37 1.0 0.02 0.02) = 0.049% HB3 ASN 119 - HD2 PRO 59 16.667% * 0.0280% (0.21 1.0 0.02 0.02) = 0.028% Peak 3323 (0.46, 1.47, 46.84 ppm): 2 chemical-shift based assignments, quality = 0.7, support = 3.49, residual support = 13.7: * T QD2 LEU 74 - HB3 LEU 67 50.000% * 74.0467% (0.83 10.00 4.13 17.19) = 74.047% kept T QD2 LEU 43 - HB3 LEU 67 50.000% * 25.9533% (0.34 10.00 1.69 3.85) = 25.953% kept Peak 3324 (0.46, 1.21, 46.82 ppm): 2 chemical-shift based assignments, quality = 0.729, support = 1.64, residual support = 12.7: * T QD2 LEU 74 - HB2 LEU 67 50.000% * 66.3640% (0.87 10.00 1.66 17.19) = 66.364% kept T QD2 LEU 43 - HB2 LEU 67 50.000% * 33.6360% (0.46 10.00 1.60 3.85) = 33.636% kept Peak 3325 (5.58, 1.21, 46.81 ppm): 1 chemical-shift based assignment, quality = 0.854, support = 6.78, residual support = 115.0: * O T HA LEU 67 - HB2 LEU 67 100.000% *100.0000% (0.85 10.0 10.00 6.78 115.02) = 100.000% kept Peak 3326 (5.58, 1.47, 46.81 ppm): 1 chemical-shift based assignment, quality = 0.792, support = 6.17, residual support = 115.0: * O T HA LEU 67 - HB3 LEU 67 100.000% *100.0000% (0.79 10.0 10.00 6.17 115.02) = 100.000% kept Peak 3327 (1.39, 2.13, 45.41 ppm): 11 chemical-shift based assignments, quality = 0.768, support = 1.6, residual support = 2.62: * HD3 LYS+ 20 - HB2 ASP- 28 9.091% * 45.3785% (0.84 2.48 4.62) = 45.379% kept HG13 ILE 68 - HB2 ASP- 28 9.091% * 18.2020% (0.91 0.92 0.54) = 18.202% kept QG2 THR 39 - HB2 ASP- 28 9.091% * 15.5436% (0.78 0.91 0.43) = 15.544% kept HG2 LYS+ 78 - HB2 ASP- 28 9.091% * 10.9209% (0.61 0.83 0.47) = 10.921% kept HB3 LYS+ 20 - HB2 ASP- 28 9.091% * 6.5050% (0.29 1.03 4.62) = 6.505% kept HG13 ILE 100 - HB2 ASP- 28 9.091% * 1.8148% (0.53 0.16 0.02) = 1.815% kept HG LEU 67 - HB2 ASP- 28 9.091% * 1.0540% (0.49 0.10 0.02) = 1.054% kept QB ALA 93 - HB2 ASP- 28 9.091% * 0.2311% (0.53 0.02 0.02) = 0.231% QB ALA 11 - HB2 ASP- 28 9.091% * 0.1392% (0.32 0.02 0.02) = 0.139% QB ALA 37 - HB2 ASP- 28 9.091% * 0.1392% (0.32 0.02 0.02) = 0.139% HB3 LEU 17 - HB2 ASP- 28 9.091% * 0.0715% (0.16 0.02 0.02) = 0.071% Peak 3328 (1.02, 2.13, 45.41 ppm): 2 chemical-shift based assignments, quality = 0.547, support = 1.42, residual support = 3.17: * HG3 LYS+ 20 - HB2 ASP- 28 50.000% * 65.2602% (0.42 1.89 4.62) = 65.260% kept QG1 VAL 99 - HB2 ASP- 28 50.000% * 34.7398% (0.78 0.54 0.44) = 34.740% kept Peak 3329 (1.39, 2.38, 45.41 ppm): 11 chemical-shift based assignments, quality = 0.766, support = 1.59, residual support = 2.62: * HD3 LYS+ 20 - HB3 ASP- 28 9.091% * 44.9286% (0.84 2.46 4.62) = 44.929% kept HG13 ILE 68 - HB3 ASP- 28 9.091% * 18.3333% (0.90 0.93 0.54) = 18.333% kept QG2 THR 39 - HB3 ASP- 28 9.091% * 15.6409% (0.78 0.92 0.43) = 15.641% kept HG2 LYS+ 78 - HB3 ASP- 28 9.091% * 11.0251% (0.61 0.84 0.47) = 11.025% kept HB3 LYS+ 20 - HB3 ASP- 28 9.091% * 6.8941% (0.29 1.10 4.62) = 6.894% kept HG13 ILE 100 - HB3 ASP- 28 9.091% * 1.5656% (0.53 0.14 0.02) = 1.566% kept HG LEU 67 - HB3 ASP- 28 9.091% * 1.0331% (0.49 0.10 0.02) = 1.033% kept QB ALA 93 - HB3 ASP- 28 9.091% * 0.2304% (0.53 0.02 0.02) = 0.230% QB ALA 11 - HB3 ASP- 28 9.091% * 0.1388% (0.32 0.02 0.02) = 0.139% QB ALA 37 - HB3 ASP- 28 9.091% * 0.1388% (0.32 0.02 0.02) = 0.139% HB3 LEU 17 - HB3 ASP- 28 9.091% * 0.0713% (0.16 0.02 0.02) = 0.071% Peak 3330 (1.02, 2.38, 45.41 ppm): 2 chemical-shift based assignments, quality = 0.627, support = 1.57, residual support = 3.66: * HG3 LYS+ 20 - HB3 ASP- 28 50.000% * 77.0968% (0.64 1.85 4.62) = 77.097% kept QG1 VAL 99 - HB3 ASP- 28 50.000% * 22.9032% (0.57 0.62 0.44) = 22.903% kept Peak 3331 (0.68, 3.46, 45.57 ppm): 9 chemical-shift based assignments, quality = 0.572, support = 1.73, residual support = 2.21: * T QG2 ILE 68 - HA1 GLY 71 11.111% * 55.0847% (0.63 10.00 1.92 2.95) = 55.085% kept T QG2 ILE 101 - HA1 GLY 71 11.111% * 37.3153% (0.50 10.00 1.64 1.48) = 37.315% kept QG2 ILE 48 - HA1 GLY 71 11.111% * 2.9846% (0.64 1.00 1.02 0.78) = 2.985% kept QG1 VAL 62 - HA1 GLY 71 11.111% * 2.1119% (0.49 1.00 0.95 0.24) = 2.112% kept HG12 ILE 19 - HA1 GLY 71 11.111% * 1.1203% (0.64 1.00 0.39 0.51) = 1.120% kept QD1 ILE 19 - HA1 GLY 71 11.111% * 0.8194% (0.61 1.00 0.30 0.51) = 0.819% T QG1 VAL 65 - HA1 GLY 71 11.111% * 0.3072% (0.34 10.00 0.02 0.02) = 0.307% T QG2 THR 96 - HA1 GLY 71 11.111% * 0.1992% (0.22 10.00 0.02 0.02) = 0.199% QG2 VAL 94 - HA1 GLY 71 11.111% * 0.0572% (0.63 1.00 0.02 0.02) = 0.057% Peak 3332 (3.53, 3.53, 45.27 ppm): 1 diagonal assignment: * HA1 GLY 26 - HA1 GLY 26 (0.82) kept Peak 3333 (1.60, 1.16, 41.76 ppm): 22 chemical-shift based assignments, quality = 0.156, support = 4.38, residual support = 157.9: * O T HG LEU 43 - HB2 LEU 43 4.545% * 87.7402% (0.15 10.0 10.00 4.97 179.96) = 87.740% kept T HB3 PRO 52 - HB2 LEU 74 4.545% * 3.1533% (0.55 1.0 10.00 0.02 0.48) = 3.153% kept HG LEU 17 - HB2 LEU 74 4.545% * 1.7736% (0.11 1.0 1.00 0.56 0.02) = 1.774% kept HB VAL 122 - HB2 LEU 74 4.545% * 1.2942% (0.11 1.0 1.00 0.41 0.02) = 1.294% kept HG LEU 17 - HB2 LEU 43 4.545% * 1.0896% (0.15 1.0 1.00 0.25 0.02) = 1.090% kept HB ILE 68 - HB2 LEU 43 4.545% * 0.6730% (0.15 1.0 1.00 0.15 0.61) = 0.673% T HG LEU 43 - HB2 LEU 74 4.545% * 0.6366% (0.11 1.0 10.00 0.02 1.31) = 0.637% HD3 LYS+ 32 - HB2 LEU 43 4.545% * 0.4835% (0.84 1.0 1.00 0.02 0.02) = 0.483% HB3 PRO 52 - HB2 LEU 43 4.545% * 0.4346% (0.76 1.0 1.00 0.02 0.02) = 0.435% HB3 LYS+ 32 - HB2 LEU 43 4.545% * 0.4185% (0.73 1.0 1.00 0.02 0.02) = 0.418% HG2 LYS+ 110 - HB2 LEU 43 4.545% * 0.3638% (0.63 1.0 1.00 0.02 0.11) = 0.364% HD3 LYS+ 32 - HB2 LEU 74 4.545% * 0.3508% (0.61 1.0 1.00 0.02 0.57) = 0.351% HB ILE 68 - HB2 LEU 74 4.545% * 0.3041% (0.11 1.0 1.00 0.10 1.08) = 0.304% HB3 LYS+ 32 - HB2 LEU 74 4.545% * 0.3036% (0.53 1.0 1.00 0.02 0.57) = 0.304% HG2 LYS+ 110 - HB2 LEU 74 4.545% * 0.2640% (0.46 1.0 1.00 0.02 0.02) = 0.264% HG3 LYS+ 78 - HB2 LEU 43 4.545% * 0.1880% (0.33 1.0 1.00 0.02 0.02) = 0.188% HG3 LYS+ 78 - HB2 LEU 74 4.545% * 0.1364% (0.24 1.0 1.00 0.02 0.02) = 0.136% HB ILE 19 - HB2 LEU 43 4.545% * 0.0991% (0.17 1.0 1.00 0.02 0.02) = 0.099% HB VAL 122 - HB2 LEU 43 4.545% * 0.0877% (0.15 1.0 1.00 0.02 0.02) = 0.088% HG12 ILE 101 - HB2 LEU 43 4.545% * 0.0773% (0.13 1.0 1.00 0.02 0.02) = 0.077% HB ILE 19 - HB2 LEU 74 4.545% * 0.0719% (0.13 1.0 1.00 0.02 0.02) = 0.072% HG12 ILE 101 - HB2 LEU 74 4.545% * 0.0561% (0.10 1.0 1.00 0.02 0.02) = 0.056% Peak 3334 (0.46, 1.28, 41.94 ppm): 2 chemical-shift based assignments, quality = 0.82, support = 5.15, residual support = 158.9: * O QD2 LEU 74 - HB3 LEU 74 50.000% * 99.9382% (0.82 10.0 5.15 159.05) = 99.938% kept QD2 LEU 43 - HB3 LEU 74 50.000% * 0.0618% (0.51 1.0 0.02 1.31) = 0.062% Peak 3335 (-0.04, 1.28, 41.94 ppm): 1 chemical-shift based assignment, quality = 0.808, support = 5.49, residual support = 159.0: * O QD1 LEU 74 - HB3 LEU 74 100.000% *100.0000% (0.81 10.0 5.49 159.05) = 100.000% kept Peak 3336 (6.90, 1.92, 41.19 ppm): 6 chemical-shift based assignments, quality = 0.55, support = 2.95, residual support = 18.5: * QD PHE 21 - HB ILE 29 16.667% * 64.9996% (0.51 4.08 27.92) = 65.000% kept HD22 ASN 15 - HB ILE 29 16.667% * 21.5397% (0.85 0.81 0.59) = 21.540% kept HD21 ASN 119 - HB ILE 29 16.667% * 8.9390% (0.34 0.85 1.43) = 8.939% kept QD PHE 21 - HB2 LEU 23 16.667% * 4.3469% (0.12 1.16 1.89) = 4.347% kept HD22 ASN 15 - HB2 LEU 23 16.667% * 0.1251% (0.20 0.02 0.02) = 0.125% HD21 ASN 119 - HB2 LEU 23 16.667% * 0.0496% (0.08 0.02 0.02) = 0.050% Peak 3337 (5.29, 2.74, 39.91 ppm): 1 chemical-shift based assignment, quality = 0.142, support = 2.96, residual support = 25.3: * O HA PHE 21 - HB3 PHE 21 100.000% *100.0000% (0.14 10.0 2.96 25.27) = 100.000% kept Peak 3338 (5.29, 2.97, 39.90 ppm): 1 chemical-shift based assignment, quality = 0.102, support = 2.71, residual support = 25.3: * O HA PHE 21 - HB2 PHE 21 100.000% *100.0000% (0.10 10.0 2.71 25.27) = 100.000% kept Peak 3339 (7.43, 2.28, 37.56 ppm): 2 chemical-shift based assignments, quality = 0.225, support = 3.57, residual support = 33.0: * HN GLU- 64 - HG2 GLU- 64 50.000% * 56.5420% (0.08 5.63 57.10) = 56.542% kept HN THR 61 - HG2 GLU- 64 50.000% * 43.4580% (0.41 0.89 1.68) = 43.458% kept Peak 3340 (7.42, 2.02, 31.82 ppm): 4 chemical-shift based assignments, quality = 0.396, support = 4.8, residual support = 43.2: * O HN GLU- 64 - HB3 GLU- 64 25.000% * 74.9771% (0.25 10.0 5.92 57.10) = 74.977% kept HN THR 61 - HB3 GLU- 64 25.000% * 21.4752% (0.92 1.0 1.55 1.68) = 21.475% kept HN THR 61 - HB3 GLU- 75 25.000% * 3.5172% (0.37 1.0 0.63 0.02) = 3.517% kept HN GLU- 64 - HB3 GLU- 75 25.000% * 0.0304% (0.10 1.0 0.02 0.02) = 0.030% Peak 3341 (8.10, 1.95, 31.75 ppm): 12 chemical-shift based assignments, quality = 0.331, support = 1.91, residual support = 22.9: O HN GLU- 75 - HB2 GLU- 75 8.333% * 94.6119% (0.33 10.0 2.00 24.21) = 94.612% kept HN GLU- 75 - HB VAL 73 8.333% * 1.9589% (0.17 1.0 0.80 0.02) = 1.959% kept HN VAL 122 - HB2 GLU- 75 8.333% * 1.1925% (0.87 1.0 0.10 0.02) = 1.192% kept HN CYS 121 - HB2 GLU- 75 8.333% * 1.0340% (0.40 1.0 0.18 0.02) = 1.034% kept HN VAL 122 - HB VAL 73 8.333% * 0.6132% (0.45 1.0 0.10 0.02) = 0.613% HN SER 88 - HB2 GLU- 75 8.333% * 0.1429% (0.50 1.0 0.02 0.02) = 0.143% HN LYS+ 110 - HB2 GLU- 75 8.333% * 0.1132% (0.40 1.0 0.02 0.02) = 0.113% HN GLY 26 - HB2 GLU- 75 8.333% * 0.0947% (0.33 1.0 0.02 0.02) = 0.095% HN SER 88 - HB VAL 73 8.333% * 0.0735% (0.26 1.0 0.02 0.02) = 0.073% HN LYS+ 110 - HB VAL 73 8.333% * 0.0582% (0.20 1.0 0.02 0.02) = 0.058% HN CYS 121 - HB VAL 73 8.333% * 0.0582% (0.20 1.0 0.02 0.02) = 0.058% HN GLY 26 - HB VAL 73 8.333% * 0.0487% (0.17 1.0 0.02 0.02) = 0.049% Reference assignment not found: HN GLU- 75 - HB3 GLU- 75 Peak 3342 (4.24, 2.02, 30.22 ppm): 64 chemical-shift based assignments, quality = 0.266, support = 2.54, residual support = 7.6: O HA GLU- 10 - HB3 GLU- 10 1.563% * 44.3534% (0.41 10.0 1.00 3.54 9.88) = 44.353% kept T HA LYS+ 108 - HB3 GLU- 107 1.563% * 23.3937% (0.22 1.0 10.00 1.96 5.96) = 23.394% kept O T HA GLU- 107 - HB3 GLU- 107 1.563% * 13.5252% (0.13 10.0 10.00 2.46 6.21) = 13.525% kept O T HA GLU- 75 - HB3 GLU- 75 1.563% * 3.7316% (0.03 10.0 10.00 2.97 24.21) = 3.732% kept HA ALA 11 - HB3 GLU- 10 1.563% * 2.7839% (0.28 1.0 1.00 1.83 2.95) = 2.784% kept T HA GLU- 12 - HB2 HIS+ 14 1.563% * 2.0026% (0.13 1.0 10.00 0.29 0.02) = 2.003% kept T HB3 SER 49 - HB3 GLU- 107 1.563% * 1.8424% (0.09 1.0 10.00 0.38 0.02) = 1.842% kept T HA GLU- 10 - HB3 GLU- 75 1.563% * 1.6503% (0.12 1.0 10.00 0.25 0.02) = 1.650% kept T HB3 SER 49 - HB3 GLU- 75 1.563% * 0.7226% (0.05 1.0 10.00 0.26 0.02) = 0.723% T HA GLU- 56 - HB3 GLU- 75 1.563% * 0.5061% (0.02 1.0 10.00 0.49 0.02) = 0.506% T HA PRO 59 - HB3 GLU- 10 1.563% * 0.3978% (0.37 1.0 10.00 0.02 0.02) = 0.398% T HA SER 49 - HB3 GLU- 10 1.563% * 0.3978% (0.37 1.0 10.00 0.02 0.02) = 0.398% HA ASN 76 - HB3 GLU- 75 1.563% * 0.3891% (0.08 1.0 1.00 0.96 0.02) = 0.389% T HA GLU- 10 - HB2 HIS+ 14 1.563% * 0.3327% (0.31 1.0 10.00 0.02 0.02) = 0.333% T HA LYS+ 108 - HB2 HIS+ 14 1.563% * 0.3327% (0.31 1.0 10.00 0.02 0.02) = 0.333% T HA PRO 59 - HB2 HIS+ 14 1.563% * 0.2984% (0.28 1.0 10.00 0.02 0.02) = 0.298% T HA SER 49 - HB2 HIS+ 14 1.563% * 0.2984% (0.28 1.0 10.00 0.02 0.02) = 0.298% HA ALA 11 - HB3 GLU- 75 1.563% * 0.2483% (0.09 1.0 1.00 0.54 0.02) = 0.248% T HA GLU- 10 - HB3 GLU- 107 1.563% * 0.2389% (0.22 1.0 10.00 0.02 0.02) = 0.239% T HA PRO 59 - HB3 GLU- 107 1.563% * 0.2142% (0.20 1.0 10.00 0.02 0.02) = 0.214% T HA SER 49 - HB3 GLU- 107 1.563% * 0.2142% (0.20 1.0 10.00 0.02 0.02) = 0.214% T HA GLU- 107 - HB2 HIS+ 14 1.563% * 0.1884% (0.17 1.0 10.00 0.02 0.02) = 0.188% T HB3 SER 49 - HB3 GLU- 10 1.563% * 0.1823% (0.17 1.0 10.00 0.02 0.02) = 0.182% T HB3 SER 49 - HB2 HIS+ 14 1.563% * 0.1368% (0.13 1.0 10.00 0.02 0.02) = 0.137% T HA LYS+ 108 - HB3 GLU- 75 1.563% * 0.1342% (0.12 1.0 10.00 0.02 0.02) = 0.134% T HA PRO 59 - HB3 GLU- 75 1.563% * 0.1204% (0.11 1.0 10.00 0.02 0.22) = 0.120% T HA SER 49 - HB3 GLU- 75 1.563% * 0.1204% (0.11 1.0 10.00 0.02 0.02) = 0.120% T HA GLU- 12 - HB3 GLU- 107 1.563% * 0.0982% (0.09 1.0 10.00 0.02 0.02) = 0.098% T HA GLU- 75 - HB2 HIS+ 14 1.563% * 0.0925% (0.09 1.0 10.00 0.02 0.13) = 0.093% T HA GLU- 64 - HB2 HIS+ 14 1.563% * 0.0830% (0.08 1.0 10.00 0.02 0.02) = 0.083% T HA GLU- 107 - HB3 GLU- 75 1.563% * 0.0760% (0.07 1.0 10.00 0.02 0.02) = 0.076% T HA GLU- 75 - HB3 GLU- 107 1.563% * 0.0664% (0.06 1.0 10.00 0.02 0.02) = 0.066% T HA GLU- 64 - HB3 GLU- 107 1.563% * 0.0596% (0.06 1.0 10.00 0.02 0.02) = 0.060% T HA GLU- 12 - HB3 GLU- 75 1.563% * 0.0552% (0.05 1.0 10.00 0.02 0.02) = 0.055% T HA GLU- 56 - HB2 HIS+ 14 1.563% * 0.0513% (0.05 1.0 10.00 0.02 0.02) = 0.051% HA LYS+ 108 - HB3 GLU- 10 1.563% * 0.0444% (0.41 1.0 1.00 0.02 0.02) = 0.044% HA GLU- 54 - HB3 GLU- 10 1.563% * 0.0444% (0.41 1.0 1.00 0.02 0.02) = 0.044% HA ALA 42 - HB3 GLU- 10 1.563% * 0.0420% (0.39 1.0 1.00 0.02 0.02) = 0.042% T HA GLU- 56 - HB3 GLU- 107 1.563% * 0.0369% (0.03 1.0 10.00 0.02 0.02) = 0.037% T HA GLU- 64 - HB3 GLU- 75 1.563% * 0.0335% (0.03 1.0 10.00 0.02 0.02) = 0.033% HA GLU- 54 - HB2 HIS+ 14 1.563% * 0.0333% (0.31 1.0 1.00 0.02 0.02) = 0.033% HA GLU- 109 - HB3 GLU- 10 1.563% * 0.0322% (0.30 1.0 1.00 0.02 0.02) = 0.032% HA ALA 42 - HB2 HIS+ 14 1.563% * 0.0315% (0.29 1.0 1.00 0.02 0.02) = 0.031% HA ASN 76 - HB3 GLU- 10 1.563% * 0.0269% (0.25 1.0 1.00 0.02 0.02) = 0.027% HA GLU- 107 - HB3 GLU- 10 1.563% * 0.0251% (0.23 1.0 1.00 0.02 0.02) = 0.025% HA ASN 119 - HB3 GLU- 10 1.563% * 0.0251% (0.23 1.0 1.00 0.02 0.02) = 0.025% HA GLU- 109 - HB2 HIS+ 14 1.563% * 0.0242% (0.22 1.0 1.00 0.02 0.02) = 0.024% HA GLU- 54 - HB3 GLU- 107 1.563% * 0.0239% (0.22 1.0 1.00 0.02 0.02) = 0.024% HA ALA 11 - HB2 HIS+ 14 1.563% * 0.0229% (0.21 1.0 1.00 0.02 0.02) = 0.023% HA ALA 42 - HB3 GLU- 107 1.563% * 0.0226% (0.21 1.0 1.00 0.02 0.02) = 0.023% HA ASN 76 - HB2 HIS+ 14 1.563% * 0.0202% (0.19 1.0 1.00 0.02 0.02) = 0.020% HA ASN 119 - HB2 HIS+ 14 1.563% * 0.0188% (0.17 1.0 1.00 0.02 0.02) = 0.019% HA GLU- 12 - HB3 GLU- 10 1.563% * 0.0182% (0.17 1.0 1.00 0.02 0.02) = 0.018% HA GLU- 109 - HB3 GLU- 107 1.563% * 0.0173% (0.16 1.0 1.00 0.02 0.02) = 0.017% HA ALA 11 - HB3 GLU- 107 1.563% * 0.0164% (0.15 1.0 1.00 0.02 0.02) = 0.016% HA ASN 76 - HB3 GLU- 107 1.563% * 0.0145% (0.13 1.0 1.00 0.02 0.02) = 0.014% HA ASN 119 - HB3 GLU- 107 1.563% * 0.0135% (0.13 1.0 1.00 0.02 0.02) = 0.014% HA GLU- 54 - HB3 GLU- 75 1.563% * 0.0134% (0.12 1.0 1.00 0.02 0.02) = 0.013% HA ALA 42 - HB3 GLU- 75 1.563% * 0.0127% (0.12 1.0 1.00 0.02 0.02) = 0.013% HA GLU- 75 - HB3 GLU- 10 1.563% * 0.0123% (0.11 1.0 1.00 0.02 0.02) = 0.012% HA GLU- 64 - HB3 GLU- 10 1.563% * 0.0111% (0.10 1.0 1.00 0.02 0.02) = 0.011% HA GLU- 109 - HB3 GLU- 75 1.563% * 0.0097% (0.09 1.0 1.00 0.02 0.02) = 0.010% HA ASN 119 - HB3 GLU- 75 1.563% * 0.0076% (0.07 1.0 1.00 0.02 0.02) = 0.008% HA GLU- 56 - HB3 GLU- 10 1.563% * 0.0068% (0.06 1.0 1.00 0.02 0.02) = 0.007% Peak 3343 (4.37, 4.36, 72.92 ppm): 1 diagonal assignment: * HB THR 61 - HB THR 61 (0.89) kept Peak 3344 (4.72, 4.36, 72.92 ppm): 6 chemical-shift based assignments, quality = 0.859, support = 2.24, residual support = 17.0: * O HA THR 61 - HB THR 61 16.667% * 96.8130% (0.86 10.0 2.31 17.56) = 96.813% kept HA2 GLY 30 - HB THR 61 16.667% * 1.7586% (0.96 1.0 0.33 0.02) = 1.759% kept HA VAL 99 - HB THR 61 16.667% * 1.1604% (0.73 1.0 0.28 0.02) = 1.160% kept HA THR 39 - HB THR 61 16.667% * 0.1058% (0.94 1.0 0.02 0.02) = 0.106% HA LYS+ 20 - HB THR 61 16.667% * 0.0968% (0.86 1.0 0.02 0.12) = 0.097% HA GLN 16 - HB THR 61 16.667% * 0.0655% (0.58 1.0 0.02 0.02) = 0.065% Peak 3345 (8.77, 4.36, 72.92 ppm): 4 chemical-shift based assignments, quality = 0.68, support = 3.96, residual support = 14.7: * HN VAL 62 - HB THR 61 25.000% * 81.1987% (0.66 4.77 18.10) = 81.199% kept HN THR 95 - HB THR 61 25.000% * 9.7714% (0.73 0.52 0.02) = 9.771% kept HN PHE 34 - HB THR 61 25.000% * 8.7495% (0.83 0.41 0.02) = 8.750% kept HN SER 69 - HB THR 61 25.000% * 0.2804% (0.54 0.02 0.02) = 0.280% Peak 3346 (1.46, 0.39, 29.23 ppm): 12 chemical-shift based assignments, quality = 0.944, support = 5.09, residual support = 149.0: * O T HG13 ILE 48 - HG12 ILE 48 8.333% * 99.4630% (0.95 10.0 10.00 5.12 149.82) = 99.463% kept HG2 PRO 59 - HG12 ILE 48 8.333% * 0.0962% (0.92 1.0 1.00 0.02 0.02) = 0.096% HG3 LYS+ 60 - HG12 ILE 48 8.333% * 0.0962% (0.92 1.0 1.00 0.02 1.89) = 0.096% HG3 PRO 52 - HG12 ILE 48 8.333% * 0.0894% (0.85 1.0 1.00 0.02 0.02) = 0.089% HB3 LEU 67 - HG12 ILE 48 8.333% * 0.0833% (0.79 1.0 1.00 0.02 0.17) = 0.083% HG LEU 90 - HG12 ILE 48 8.333% * 0.0410% (0.39 1.0 1.00 0.02 0.02) = 0.041% HB3 LYS+ 44 - HG12 ILE 48 8.333% * 0.0308% (0.29 1.0 1.00 0.02 0.51) = 0.031% QB ALA 70 - HG12 ILE 48 8.333% * 0.0277% (0.26 1.0 1.00 0.02 0.02) = 0.028% HG3 LYS+ 113 - HG12 ILE 48 8.333% * 0.0222% (0.21 1.0 1.00 0.02 0.02) = 0.022% HG3 ARG+ 22 - HG12 ILE 48 8.333% * 0.0175% (0.17 1.0 1.00 0.02 0.71) = 0.017% HG3 LYS+ 55 - HG12 ILE 48 8.333% * 0.0175% (0.17 1.0 1.00 0.02 0.02) = 0.017% HD3 LYS+ 113 - HG12 ILE 48 8.333% * 0.0154% (0.15 1.0 1.00 0.02 0.02) = 0.015% Peak 3347 (3.04, 3.04, 29.47 ppm): 1 diagonal assignment: * HB3 TRP 51 - HB3 TRP 51 (0.17) kept Peak 3348 (2.15, 3.08, 67.42 ppm): 11 chemical-shift based assignments, quality = 0.836, support = 3.88, residual support = 76.5: * O HB VAL 47 - HA VAL 47 9.091% * 96.0779% (0.85 10.0 4.02 79.67) = 96.078% kept HG2 GLU- 45 - HA VAL 47 9.091% * 1.8223% (0.45 1.0 0.72 0.19) = 1.822% kept HG2 PRO 112 - HA VAL 47 9.091% * 1.0737% (0.86 1.0 0.22 0.02) = 1.074% kept HB3 GLU- 75 - HA VAL 47 9.091% * 0.7126% (0.62 1.0 0.20 0.02) = 0.713% HB3 LYS+ 78 - HA VAL 47 9.091% * 0.1032% (0.91 1.0 0.02 0.02) = 0.103% HB2 ASP- 28 - HA VAL 47 9.091% * 0.0833% (0.74 1.0 0.02 0.02) = 0.083% HG2 PRO 104 - HA VAL 47 9.091% * 0.0507% (0.45 1.0 0.02 0.02) = 0.051% HB VAL 105 - HA VAL 47 9.091% * 0.0321% (0.28 1.0 0.02 0.02) = 0.032% HB2 GLU- 56 - HA VAL 47 9.091% * 0.0161% (0.14 1.0 0.02 0.02) = 0.016% HB VAL 87 - HA VAL 47 9.091% * 0.0141% (0.12 1.0 0.02 0.02) = 0.014% HG2 GLN 102 - HA VAL 47 9.091% * 0.0141% (0.12 1.0 0.02 0.02) = 0.014% Peak 3349 (0.94, 3.44, 66.58 ppm): 20 chemical-shift based assignments, quality = 0.767, support = 2.81, residual support = 30.6: * O QG2 VAL 62 - HA VAL 62 5.000% * 94.0503% (0.79 10.0 2.95 32.46) = 94.050% kept QG2 ILE 29 - HA VAL 62 5.000% * 2.5763% (0.68 1.0 0.63 0.02) = 2.576% kept QG2 VAL 99 - HA VAL 62 5.000% * 1.8714% (0.35 1.0 0.89 1.04) = 1.871% kept QG2 VAL 73 - HA VAL 62 5.000% * 0.4740% (0.71 1.0 0.11 0.02) = 0.474% QG1 VAL 105 - HA VAL 62 5.000% * 0.0999% (0.84 1.0 0.02 0.02) = 0.100% QD1 LEU 17 - HA VAL 62 5.000% * 0.0983% (0.83 1.0 0.02 0.02) = 0.098% QG2 VAL 105 - HA VAL 62 5.000% * 0.0964% (0.81 1.0 0.02 0.02) = 0.096% HG12 ILE 68 - HA VAL 62 5.000% * 0.0740% (0.62 1.0 0.02 0.02) = 0.074% QG1 VAL 105 - HA VAL 40 5.000% * 0.0682% (0.57 1.0 0.02 0.02) = 0.068% QD1 LEU 17 - HA VAL 40 5.000% * 0.0671% (0.56 1.0 0.02 0.02) = 0.067% HG3 LYS+ 110 - HA VAL 62 5.000% * 0.0659% (0.55 1.0 0.02 0.02) = 0.066% QG2 VAL 105 - HA VAL 40 5.000% * 0.0658% (0.55 1.0 0.02 0.02) = 0.066% QG2 VAL 62 - HA VAL 40 5.000% * 0.0642% (0.54 1.0 0.02 0.02) = 0.064% QG2 VAL 73 - HA VAL 40 5.000% * 0.0581% (0.49 1.0 0.02 0.02) = 0.058% QG2 ILE 29 - HA VAL 40 5.000% * 0.0557% (0.47 1.0 0.02 0.02) = 0.056% QG2 VAL 80 - HA VAL 62 5.000% * 0.0536% (0.45 1.0 0.02 0.90) = 0.054% HG12 ILE 68 - HA VAL 40 5.000% * 0.0505% (0.42 1.0 0.02 0.02) = 0.051% HG3 LYS+ 110 - HA VAL 40 5.000% * 0.0450% (0.38 1.0 0.02 0.02) = 0.045% QG2 VAL 80 - HA VAL 40 5.000% * 0.0366% (0.31 1.0 0.02 0.12) = 0.037% QG2 VAL 99 - HA VAL 40 5.000% * 0.0286% (0.24 1.0 0.02 0.02) = 0.029% Peak 3350 (0.90, 0.89, 25.09 ppm): 2 diagonal assignments: * HG3 LYS+ 117 - HG3 LYS+ 117 (0.62) kept QG2 VAL 40 - QG2 VAL 40 (0.17) kept Peak 3351 (0.93, 0.93, 24.69 ppm): 1 diagonal assignment: * QD1 LEU 17 - QD1 LEU 17 (0.21) kept Peak 3352 (4.99, 3.71, 65.41 ppm): 4 chemical-shift based assignments, quality = 0.915, support = 2.67, residual support = 20.1: * O HA SER 69 - HB3 SER 69 25.000% * 89.0271% (0.94 10.0 2.59 21.26) = 89.027% kept HA ILE 68 - HB3 SER 69 25.000% * 10.8473% (0.69 1.0 3.35 10.87) = 10.847% kept HA PRO 31 - HB3 SER 69 25.000% * 0.0714% (0.76 1.0 0.02 0.02) = 0.071% HA MET 97 - HB3 SER 69 25.000% * 0.0541% (0.57 1.0 0.02 0.02) = 0.054% Peak 3353 (8.81, 3.71, 65.41 ppm): 5 chemical-shift based assignments, quality = 0.358, support = 2.79, residual support = 21.0: * O HN SER 69 - HB3 SER 69 20.000% * 98.6176% (0.35 10.0 2.83 21.26) = 98.618% kept HN ASN 57 - HB3 SER 69 20.000% * 1.0257% (0.76 1.0 0.10 0.02) = 1.026% kept HN LYS+ 32 - HB3 SER 69 20.000% * 0.1805% (0.65 1.0 0.02 0.02) = 0.180% HN LYS+ 60 - HB3 SER 69 20.000% * 0.1178% (0.42 1.0 0.02 0.02) = 0.118% HN THR 95 - HB3 SER 69 20.000% * 0.0585% (0.21 1.0 0.02 0.02) = 0.059% Peak 3354 (8.81, 3.54, 65.41 ppm): 4 chemical-shift based assignments, quality = 0.145, support = 2.72, residual support = 20.4: * O HN SER 69 - HB2 SER 69 25.000% * 95.9450% (0.13 10.0 2.83 21.26) = 95.945% kept HN ASN 57 - HB2 SER 69 25.000% * 2.9916% (0.81 1.0 0.10 0.02) = 2.992% kept HN LYS+ 32 - HB2 SER 69 25.000% * 0.5882% (0.77 1.0 0.02 0.02) = 0.588% HN LYS+ 60 - HB2 SER 69 25.000% * 0.4752% (0.62 1.0 0.02 0.02) = 0.475% Peak 3355 (7.32, 3.43, 65.81 ppm): 7 chemical-shift based assignments, quality = 0.487, support = 5.18, residual support = 68.9: HN VAL 47 - HA ILE 48 14.286% * 48.9005% (0.68 1.0 5.79 34.45) = 48.901% kept * O HN ILE 48 - HA ILE 48 14.286% * 34.6241% (0.14 10.0 6.32 149.82) = 34.624% kept QD PHE 34 - HA ILE 48 14.286% * 10.9998% (0.70 1.0 1.27 1.37) = 11.000% kept QE PHE 34 - HA ILE 48 14.286% * 2.6410% (0.57 1.0 0.38 1.37) = 2.641% kept HZ2 TRP 51 - HA ILE 48 14.286% * 2.1343% (0.57 1.0 0.30 0.02) = 2.134% kept HZ PHE 34 - HA ILE 48 14.286% * 0.5347% (0.57 1.0 0.08 1.37) = 0.535% HN ARG+ 84 - HA ILE 48 14.286% * 0.1655% (0.67 1.0 0.02 0.02) = 0.166% Peak 3356 (3.43, 3.43, 65.81 ppm): 1 diagonal assignment: * HA ILE 48 - HA ILE 48 (0.70) kept Peak 3357 (8.75, 3.44, 66.51 ppm): 8 chemical-shift based assignments, quality = 0.831, support = 4.04, residual support = 31.1: * O HN VAL 62 - HA VAL 62 12.500% * 95.6945% (0.86 10.0 4.21 32.46) = 95.694% kept HN GLU- 56 - HA VAL 62 12.500% * 1.3892% (0.62 1.0 0.40 0.02) = 1.389% kept HN ILE 101 - HA VAL 40 12.500% * 1.0836% (0.25 1.0 0.78 0.59) = 1.084% kept HN PHE 34 - HA VAL 62 12.500% * 0.7270% (0.69 1.0 0.19 0.02) = 0.727% HN GLU- 56 - HA VAL 40 12.500% * 0.7085% (0.23 1.0 0.54 0.53) = 0.708% HN ILE 101 - HA VAL 62 12.500% * 0.3317% (0.66 1.0 0.09 0.80) = 0.332% HN VAL 62 - HA VAL 40 12.500% * 0.0362% (0.32 1.0 0.02 0.02) = 0.036% HN PHE 34 - HA VAL 40 12.500% * 0.0293% (0.26 1.0 0.02 0.02) = 0.029% Peak 3358 (0.56, 1.63, 27.60 ppm): 6 chemical-shift based assignments, quality = 0.845, support = 4.46, residual support = 114.2: * O T QD1 ILE 101 - HG12 ILE 101 16.667% * 88.5516% (0.94 10.0 10.00 4.91 128.96) = 88.552% kept T QD1 LEU 23 - HG12 ILE 101 16.667% * 8.5242% (0.17 1.0 10.00 1.09 0.51) = 8.524% kept T QD1 LEU 23 - HG3 ARG+ 84 16.667% * 2.4923% (0.07 1.0 10.00 0.71 0.02) = 2.492% kept T QD1 ILE 101 - HG3 ARG+ 84 16.667% * 0.3959% (0.42 1.0 10.00 0.02 0.02) = 0.396% QG2 VAL 122 - HG12 ILE 101 16.667% * 0.0248% (0.26 1.0 1.00 0.02 0.02) = 0.025% QG2 VAL 122 - HG3 ARG+ 84 16.667% * 0.0111% (0.12 1.0 1.00 0.02 1.53) = 0.011% Peak 3359 (8.01, 3.84, 64.57 ppm): 8 chemical-shift based assignments, quality = 0.0888, support = 0.02, residual support = 0.02: HN LYS+ 111 - HB3 SER 88 12.500% * 17.8052% (0.10 0.02 0.02) = 17.805% kept HN SER 27 - HB3 SER 88 12.500% * 17.8052% (0.10 0.02 0.02) = 17.805% kept HN LYS+ 111 - HB3 SER 77 12.500% * 16.1916% (0.09 0.02 0.02) = 16.192% kept HN SER 27 - HB3 SER 77 12.500% * 16.1916% (0.09 0.02 0.02) = 16.192% kept HN MET 126 - HB3 SER 88 12.500% * 13.6375% (0.08 0.02 0.02) = 13.638% kept HN MET 126 - HB3 SER 77 12.500% * 12.4016% (0.07 0.02 0.02) = 12.402% kept HN LEU 43 - HB3 SER 88 12.500% * 3.1252% (0.02 0.02 0.02) = 3.125% kept HN LEU 43 - HB3 SER 77 12.500% * 2.8420% (0.02 0.02 0.02) = 2.842% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 3360 (8.01, 3.71, 64.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3361 (0.11, 0.11, 22.78 ppm): 1 diagonal assignment: * QG2 VAL 47 - QG2 VAL 47 (0.20) kept Peak 3362 (0.89, 0.11, 22.78 ppm): 9 chemical-shift based assignments, quality = 0.187, support = 3.58, residual support = 75.9: * O QG1 VAL 47 - QG2 VAL 47 11.111% * 95.2860% (0.19 10.0 3.73 79.67) = 95.286% kept QG1 VAL 80 - QG2 VAL 47 11.111% * 2.0257% (0.20 1.0 0.40 0.02) = 2.026% kept QD1 LEU 67 - QG2 VAL 47 11.111% * 2.0234% (0.18 1.0 0.46 0.46) = 2.023% kept QG2 VAL 125 - QG2 VAL 47 11.111% * 0.3453% (0.14 1.0 0.09 0.02) = 0.345% QG2 VAL 87 - QG2 VAL 47 11.111% * 0.1005% (0.20 1.0 0.02 0.02) = 0.101% QG2 VAL 40 - QG2 VAL 47 11.111% * 0.1005% (0.20 1.0 0.02 0.02) = 0.101% HG3 LYS+ 117 - QG2 VAL 47 11.111% * 0.0812% (0.16 1.0 0.02 0.02) = 0.081% QG2 VAL 80 - QG2 VAL 47 11.111% * 0.0210% (0.04 1.0 0.02 0.02) = 0.021% QG2 ILE 100 - QG2 VAL 47 11.111% * 0.0164% (0.03 1.0 0.02 0.02) = 0.016% Peak 3363 (2.14, 0.11, 22.78 ppm): 11 chemical-shift based assignments, quality = 0.152, support = 3.13, residual support = 63.6: * O T HB VAL 47 - QG2 VAL 47 9.091% * 79.8459% (0.15 10.0 10.00 3.78 79.67) = 79.846% kept T HB3 GLU- 75 - QG2 VAL 47 9.091% * 13.3721% (0.15 1.0 10.00 0.33 0.02) = 13.372% kept HG2 GLU- 45 - QG2 VAL 47 9.091% * 4.9862% (0.15 1.0 1.00 1.25 0.19) = 4.986% kept HG2 PRO 112 - QG2 VAL 47 9.091% * 1.1210% (0.19 1.0 1.00 0.22 0.02) = 1.121% kept T HB2 GLU- 56 - QG2 VAL 47 9.091% * 0.3394% (0.06 1.0 10.00 0.02 0.02) = 0.339% HB2 ASP- 28 - QG2 VAL 47 9.091% * 0.1061% (0.20 1.0 1.00 0.02 0.02) = 0.106% HB3 LYS+ 78 - QG2 VAL 47 9.091% * 0.0954% (0.18 1.0 1.00 0.02 0.02) = 0.095% HB VAL 105 - QG2 VAL 47 9.091% * 0.0579% (0.11 1.0 1.00 0.02 0.02) = 0.058% HB VAL 87 - QG2 VAL 47 9.091% * 0.0306% (0.06 1.0 1.00 0.02 0.02) = 0.031% HG2 PRO 104 - QG2 VAL 47 9.091% * 0.0306% (0.06 1.0 1.00 0.02 0.02) = 0.031% HB3 LEU 43 - QG2 VAL 47 9.091% * 0.0149% (0.03 1.0 1.00 0.02 0.53) = 0.015% Peak 3364 (3.08, 0.11, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.119, support = 3.24, residual support = 79.6: * O T HA VAL 47 - QG2 VAL 47 50.000% * 99.9338% (0.12 10.0 10.00 3.24 79.67) = 99.934% kept HB3 TRP 51 - QG2 VAL 47 50.000% * 0.0662% (0.08 1.0 1.00 0.02 3.62) = 0.066% Peak 3365 (3.52, 0.11, 22.78 ppm): 3 chemical-shift based assignments, quality = 0.168, support = 3.59, residual support = 20.8: * T HA LYS+ 44 - QG2 VAL 47 33.333% * 97.5177% (0.17 10.00 3.66 21.28) = 97.518% kept HA1 GLY 26 - QG2 VAL 47 33.333% * 2.4582% (0.14 1.00 0.62 0.02) = 2.458% kept HA1 GLY 30 - QG2 VAL 47 33.333% * 0.0241% (0.04 1.00 0.02 0.02) = 0.024% Peak 3366 (6.87, 0.11, 22.78 ppm): 4 chemical-shift based assignments, quality = 0.152, support = 1.72, residual support = 3.73: * QD PHE 21 - QG2 VAL 47 25.000% * 53.7991% (0.17 2.21 4.77) = 53.799% kept HZ PHE 21 - QG2 VAL 47 25.000% * 23.4019% (0.09 1.72 4.77) = 23.402% kept HD21 ASN 119 - QG2 VAL 47 25.000% * 17.8392% (0.20 0.62 0.26) = 17.839% kept HD22 ASN 15 - QG2 VAL 47 25.000% * 4.9597% (0.08 0.44 0.11) = 4.960% kept Not enough quality. Peak unassigned. Peak 3367 (7.33, 0.11, 22.78 ppm): 6 chemical-shift based assignments, quality = 0.188, support = 3.24, residual support = 39.5: * HN VAL 47 - QG2 VAL 47 16.667% * 47.5576% (0.18 5.00 79.67) = 47.558% kept QD PHE 34 - QG2 VAL 47 16.667% * 22.1186% (0.19 2.18 2.97) = 22.119% kept QE PHE 34 - QG2 VAL 47 16.667% * 16.9706% (0.19 1.68 2.97) = 16.971% kept HZ PHE 34 - QG2 VAL 47 16.667% * 8.2861% (0.19 0.82 2.97) = 8.286% kept HZ2 TRP 51 - QG2 VAL 47 16.667% * 4.8840% (0.19 0.48 3.62) = 4.884% kept HN ARG+ 84 - QG2 VAL 47 16.667% * 0.1832% (0.18 0.02 0.02) = 0.183% Peak 3368 (7.06, 0.11, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.0841, support = 0.997, residual support = 4.56: * QE PHE 21 - QG2 VAL 47 50.000% * 95.4955% (0.08 1.04 4.77) = 95.495% kept QD TYR 83 - QG2 VAL 47 50.000% * 4.5045% (0.19 0.02 0.02) = 4.505% kept Peak 3369 (7.51, 0.11, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.121, support = 0.978, residual support = 2.09: HN ASP- 82 - QG2 VAL 47 50.000% * 63.0749% (0.13 1.11 1.19) = 63.075% kept * HE3 TRP 51 - QG2 VAL 47 50.000% * 36.9251% (0.11 0.75 3.62) = 36.925% kept Not enough quality. Peak unassigned. Peak 3370 (0.59, 0.59, 22.78 ppm): 1 diagonal assignment: * QD1 LEU 23 - QD1 LEU 23 (0.92) kept Peak 3371 (0.94, 0.59, 22.78 ppm): 10 chemical-shift based assignments, quality = 0.802, support = 1.44, residual support = 10.0: QG2 ILE 29 - QD1 LEU 23 10.000% * 39.3398% (0.97 1.67 14.54) = 39.340% kept * QG2 VAL 99 - QD1 LEU 23 10.000% * 30.7384% (0.65 1.94 13.87) = 30.738% kept QG2 VAL 105 - QD1 LEU 23 10.000% * 16.3324% (0.76 0.87 0.12) = 16.332% kept QG1 VAL 105 - QD1 LEU 23 10.000% * 9.4602% (0.84 0.46 0.12) = 9.460% kept QG2 VAL 62 - QD1 LEU 23 10.000% * 1.9540% (1.00 0.08 0.02) = 1.954% kept HG12 ILE 68 - QD1 LEU 23 10.000% * 0.9533% (0.49 0.08 0.02) = 0.953% QG2 VAL 73 - QD1 LEU 23 10.000% * 0.4790% (0.98 0.02 0.02) = 0.479% QD1 LEU 17 - QD1 LEU 23 10.000% * 0.3913% (0.80 0.02 0.13) = 0.391% HG3 LYS+ 110 - QD1 LEU 23 10.000% * 0.2009% (0.41 0.02 0.02) = 0.201% QG2 VAL 80 - QD1 LEU 23 10.000% * 0.1508% (0.31 0.02 0.02) = 0.151% Peak 3372 (1.64, 0.59, 22.78 ppm): 11 chemical-shift based assignments, quality = 0.779, support = 2.8, residual support = 68.8: * O HG LEU 23 - QD1 LEU 23 9.091% * 53.6010% (0.84 10.0 1.00 3.85 120.22) = 53.601% kept T HG12 ILE 101 - QD1 LEU 23 9.091% * 26.7181% (0.76 1.0 10.00 1.09 0.51) = 26.718% kept HG2 ARG+ 22 - QD1 LEU 23 9.091% * 10.5294% (0.90 1.0 1.00 3.66 40.43) = 10.529% kept T HG3 ARG+ 84 - QD1 LEU 23 9.091% * 8.5816% (0.38 1.0 10.00 0.71 0.02) = 8.582% kept HB VAL 122 - QD1 LEU 23 9.091% * 0.4097% (0.73 1.0 1.00 0.18 0.02) = 0.410% HG LEU 43 - QD1 LEU 23 9.091% * 0.0466% (0.73 1.0 1.00 0.02 0.02) = 0.047% HB ILE 68 - QD1 LEU 23 9.091% * 0.0466% (0.73 1.0 1.00 0.02 0.02) = 0.047% HG3 LYS+ 78 - QD1 LEU 23 9.091% * 0.0288% (0.45 1.0 1.00 0.02 0.02) = 0.029% HB3 LYS+ 66 - QD1 LEU 23 9.091% * 0.0143% (0.22 1.0 1.00 0.02 0.02) = 0.014% HB ILE 100 - QD1 LEU 23 9.091% * 0.0127% (0.20 1.0 1.00 0.02 3.44) = 0.013% HG2 LYS+ 110 - QD1 LEU 23 9.091% * 0.0112% (0.18 1.0 1.00 0.02 0.02) = 0.011% Peak 3373 (1.91, 0.59, 22.78 ppm): 12 chemical-shift based assignments, quality = 0.723, support = 3.7, residual support = 74.8: * O T HB2 LEU 23 - QD1 LEU 23 8.333% * 57.3448% (0.80 10.0 10.00 5.12 120.22) = 57.345% kept T HB ILE 29 - QD1 LEU 23 8.333% * 40.4119% (0.61 1.0 10.00 1.86 14.54) = 40.412% kept HB3 GLN 102 - QD1 LEU 23 8.333% * 1.8688% (0.99 1.0 1.00 0.53 0.99) = 1.869% kept HD3 LYS+ 63 - QD1 LEU 23 8.333% * 0.0702% (0.98 1.0 1.00 0.02 0.02) = 0.070% HB2 PRO 112 - QD1 LEU 23 8.333% * 0.0700% (0.98 1.0 1.00 0.02 0.02) = 0.070% HB3 ARG+ 53 - QD1 LEU 23 8.333% * 0.0598% (0.84 1.0 1.00 0.02 0.20) = 0.060% HB3 CYS 123 - QD1 LEU 23 8.333% * 0.0492% (0.69 1.0 1.00 0.02 0.02) = 0.049% HB3 GLN 16 - QD1 LEU 23 8.333% * 0.0321% (0.45 1.0 1.00 0.02 0.02) = 0.032% HG2 GLU- 18 - QD1 LEU 23 8.333% * 0.0321% (0.45 1.0 1.00 0.02 0.02) = 0.032% HG2 PRO 112 - QD1 LEU 23 8.333% * 0.0211% (0.29 1.0 1.00 0.02 0.02) = 0.021% HB2 PRO 116 - QD1 LEU 23 8.333% * 0.0199% (0.28 1.0 1.00 0.02 0.02) = 0.020% HB2 GLU- 10 - QD1 LEU 23 8.333% * 0.0199% (0.28 1.0 1.00 0.02 0.02) = 0.020% Peak 3374 (2.18, 0.59, 22.78 ppm): 9 chemical-shift based assignments, quality = 0.931, support = 2.72, residual support = 8.52: * T HB VAL 99 - QD1 LEU 23 11.111% * 57.7883% (1.00 10.00 3.69 13.87) = 57.788% kept T HG2 GLN 102 - QD1 LEU 23 11.111% * 33.3144% (0.87 10.00 1.33 0.99) = 33.314% kept HB2 ASP- 82 - QD1 LEU 23 11.111% * 5.8850% (0.90 1.00 2.27 2.84) = 5.885% kept T HG3 MET 126 - QD1 LEU 23 11.111% * 1.2539% (0.15 10.00 0.28 0.02) = 1.254% kept HB3 PRO 104 - QD1 LEU 23 11.111% * 1.0518% (0.99 1.00 0.37 0.02) = 1.052% kept T HG2 MET 126 - QD1 LEU 23 11.111% * 0.4206% (0.73 10.00 0.02 0.02) = 0.421% HG2 PRO 104 - QD1 LEU 23 11.111% * 0.2116% (0.41 1.00 0.18 0.02) = 0.212% HG2 PRO 112 - QD1 LEU 23 11.111% * 0.0569% (0.98 1.00 0.02 0.02) = 0.057% HB3 GLU- 75 - QD1 LEU 23 11.111% * 0.0175% (0.30 1.00 0.02 0.02) = 0.017% Peak 3376 (4.79, 0.59, 22.78 ppm): 4 chemical-shift based assignments, quality = 0.792, support = 5.07, residual support = 118.9: * HA LEU 23 - QD1 LEU 23 25.000% * 98.8709% (0.80 5.13 120.22) = 98.871% kept HB THR 39 - QD1 LEU 23 25.000% * 0.6176% (0.34 0.08 0.02) = 0.618% HA ASN 15 - QD1 LEU 23 25.000% * 0.3307% (0.69 0.02 0.02) = 0.331% HA GLU- 18 - QD1 LEU 23 25.000% * 0.1807% (0.38 0.02 0.02) = 0.181% Peak 3377 (6.72, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.507, support = 2.27, residual support = 11.7: * HZ3 TRP 51 - QD1 LEU 23 50.000% * 66.1231% (0.38 3.03 17.32) = 66.123% kept QE TYR 83 - QD1 LEU 23 50.000% * 33.8769% (0.76 0.76 0.70) = 33.877% kept Peak 3378 (7.19, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.832, support = 2.73, residual support = 17.3: * HH2 TRP 51 - QD1 LEU 23 50.000% * 72.7515% (0.95 3.00 17.32) = 72.751% kept HN TRP 51 - QD1 LEU 23 50.000% * 27.2485% (0.53 2.02 17.32) = 27.249% kept Peak 3379 (2.93, 0.59, 22.78 ppm): 5 chemical-shift based assignments, quality = 0.612, support = 1.96, residual support = 2.07: HB2 HIS+ 98 - QD1 LEU 23 20.000% * 66.4791% (0.57 2.71 3.05) = 66.479% kept HE3 LYS+ 81 - QD1 LEU 23 20.000% * 12.6559% (0.34 0.86 0.29) = 12.656% kept HE3 LYS+ 60 - QD1 LEU 23 20.000% * 11.1272% (0.97 0.27 0.02) = 11.127% kept HB2 CYS 121 - QD1 LEU 23 20.000% * 9.4968% (0.90 0.24 0.02) = 9.497% kept HB3 ASN 57 - QD1 LEU 23 20.000% * 0.2410% (0.28 0.02 0.02) = 0.241% Peak 3380 (7.35, 0.59, 22.78 ppm): 5 chemical-shift based assignments, quality = 0.521, support = 1.9, residual support = 12.0: * HZ2 TRP 51 - QD1 LEU 23 20.000% * 68.7706% (0.53 2.59 17.32) = 68.771% kept HE22 GLN 102 - QD1 LEU 23 20.000% * 12.9526% (0.61 0.42 0.99) = 12.953% kept HZ PHE 34 - QD1 LEU 23 20.000% * 7.0661% (0.53 0.27 0.02) = 7.066% kept QE PHE 34 - QD1 LEU 23 20.000% * 7.0661% (0.53 0.27 0.02) = 7.066% kept QD PHE 34 - QD1 LEU 23 20.000% * 4.1445% (0.15 0.53 0.02) = 4.145% kept Peak 3381 (7.51, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.639, support = 1.77, residual support = 12.6: * HE3 TRP 51 - QD1 LEU 23 50.000% * 67.7238% (0.76 1.79 17.32) = 67.724% kept HN ASP- 82 - QD1 LEU 23 50.000% * 32.2762% (0.38 1.74 2.84) = 32.276% kept Peak 3382 (9.31, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.69, support = 4.94, residual support = 67.9: * HN LEU 23 - QD1 LEU 23 50.000% * 50.5126% (0.49 6.44 120.22) = 50.513% kept HN ILE 29 - QD1 LEU 23 50.000% * 49.4874% (0.90 3.42 14.54) = 49.487% kept Peak 3383 (7.56, 0.73, 23.16 ppm): 8 chemical-shift based assignments, quality = 0.888, support = 4.81, residual support = 27.0: * HN VAL 65 - QG2 VAL 65 12.500% * 91.1014% (0.90 5.25 29.62) = 91.101% kept HD22 ASN 119 - QG2 VAL 65 12.500% * 4.7521% (0.90 0.27 0.02) = 4.752% kept HN VAL 65 - HG3 LYS+ 44 12.500% * 3.5351% (0.81 0.23 0.02) = 3.535% kept HD22 ASN 119 - HG3 LYS+ 44 12.500% * 0.3139% (0.81 0.02 0.02) = 0.314% HN LYS+ 78 - QG2 VAL 65 12.500% * 0.0964% (0.25 0.02 0.02) = 0.096% HN LYS+ 78 - HG3 LYS+ 44 12.500% * 0.0873% (0.23 0.02 0.02) = 0.087% HD21 ASN 15 - QG2 VAL 65 12.500% * 0.0597% (0.15 0.02 0.02) = 0.060% HD21 ASN 15 - HG3 LYS+ 44 12.500% * 0.0540% (0.14 0.02 0.02) = 0.054% Peak 3384 (7.33, 0.73, 23.16 ppm): 12 chemical-shift based assignments, quality = 0.762, support = 1.7, residual support = 11.2: * HN VAL 47 - HG3 LYS+ 44 8.333% * 26.4579% (0.62 2.57 21.28) = 26.458% kept QD PHE 34 - HG3 LYS+ 44 8.333% * 24.8580% (0.69 2.17 8.99) = 24.858% kept HZ PHE 34 - HG3 LYS+ 44 8.333% * 18.6393% (0.90 1.25 8.99) = 18.639% kept QE PHE 34 - HG3 LYS+ 44 8.333% * 18.2338% (0.90 1.22 8.99) = 18.234% kept HN VAL 47 - QG2 VAL 65 8.333% * 3.6558% (0.69 0.32 0.02) = 3.656% kept HZ2 TRP 51 - HG3 LYS+ 44 8.333% * 2.6120% (0.90 0.17 0.10) = 2.612% kept QE PHE 34 - QG2 VAL 65 8.333% * 1.7372% (1.00 0.11 0.02) = 1.737% kept HZ PHE 34 - QG2 VAL 65 8.333% * 1.7372% (1.00 0.11 0.02) = 1.737% kept QD PHE 34 - QG2 VAL 65 8.333% * 1.3306% (0.76 0.11 0.02) = 1.331% kept HZ2 TRP 51 - QG2 VAL 65 8.333% * 0.3303% (1.00 0.02 0.02) = 0.330% HN ARG+ 84 - QG2 VAL 65 8.333% * 0.2141% (0.65 0.02 0.02) = 0.214% HN ARG+ 84 - HG3 LYS+ 44 8.333% * 0.1938% (0.59 0.02 0.02) = 0.194% Peak 3385 (7.91, 0.73, 23.16 ppm): 2 chemical-shift based assignments, quality = 0.224, support = 4.7, residual support = 56.1: * HN LYS+ 44 - HG3 LYS+ 44 50.000% * 99.5342% (0.23 4.72 56.31) = 99.534% kept HN LYS+ 44 - QG2 VAL 65 50.000% * 0.4658% (0.25 0.02 0.02) = 0.466% Peak 3386 (8.24, 0.73, 23.16 ppm): 22 chemical-shift based assignments, quality = 0.728, support = 1.9, residual support = 4.35: HN LEU 67 - QG2 VAL 65 4.545% * 37.9743% (0.99 1.62 0.72) = 37.974% kept * HN GLU- 45 - HG3 LYS+ 44 4.545% * 23.4445% (0.20 4.92 16.90) = 23.444% kept HN LEU 67 - HG3 LYS+ 44 4.545% * 12.8882% (0.90 0.61 0.80) = 12.888% kept HN SER 49 - QG2 VAL 65 4.545% * 5.6869% (0.95 0.25 0.10) = 5.687% kept HN LYS+ 81 - HG3 LYS+ 44 4.545% * 5.0427% (0.90 0.24 0.02) = 5.043% kept HN SER 49 - HG3 LYS+ 44 4.545% * 3.8493% (0.86 0.19 0.02) = 3.849% kept HN GLY 58 - HG3 LYS+ 44 4.545% * 3.5556% (0.90 0.17 0.02) = 3.556% kept HN GLY 58 - QG2 VAL 65 4.545% * 2.0740% (1.00 0.09 0.02) = 2.074% kept HN ALA 11 - HG3 LYS+ 44 4.545% * 1.7659% (0.25 0.30 0.02) = 1.766% kept HN VAL 105 - HG3 LYS+ 44 4.545% * 0.6865% (0.37 0.08 0.11) = 0.687% HN LYS+ 81 - QG2 VAL 65 4.545% * 0.4684% (0.99 0.02 0.02) = 0.468% HN GLU- 12 - QG2 VAL 65 4.545% * 0.4471% (0.95 0.02 0.02) = 0.447% HN GLU- 12 - HG3 LYS+ 44 4.545% * 0.4046% (0.86 0.02 0.02) = 0.405% HN THR 106 - QG2 VAL 65 4.545% * 0.2487% (0.53 0.02 0.02) = 0.249% HN THR 106 - HG3 LYS+ 44 4.545% * 0.2250% (0.48 0.02 0.02) = 0.225% HN ASP- 115 - QG2 VAL 65 4.545% * 0.2119% (0.45 0.02 0.02) = 0.212% HN VAL 94 - QG2 VAL 65 4.545% * 0.2119% (0.45 0.02 0.02) = 0.212% HN VAL 105 - QG2 VAL 65 4.545% * 0.1943% (0.41 0.02 0.02) = 0.194% HN ASP- 115 - HG3 LYS+ 44 4.545% * 0.1918% (0.41 0.02 0.02) = 0.192% HN VAL 94 - HG3 LYS+ 44 4.545% * 0.1918% (0.41 0.02 0.02) = 0.192% HN ALA 11 - QG2 VAL 65 4.545% * 0.1314% (0.28 0.02 0.02) = 0.131% HN GLU- 45 - QG2 VAL 65 4.545% * 0.1052% (0.22 0.02 0.02) = 0.105% Peak 3387 (1.64, 0.73, 23.14 ppm): 26 chemical-shift based assignments, quality = 0.447, support = 2.16, residual support = 10.0: T HB3 LYS+ 66 - QG2 VAL 65 3.846% * 59.3767% (0.48 10.00 2.90 12.79) = 59.377% kept T HB3 LYS+ 66 - HG3 LYS+ 44 3.846% * 17.2377% (0.45 10.00 0.62 0.24) = 17.238% kept HG LEU 43 - HG3 LYS+ 44 3.846% * 7.6617% (0.38 1.00 3.28 27.85) = 7.662% kept T HB3 MET 97 - QG2 VAL 65 3.846% * 4.6445% (0.34 10.00 0.22 0.02) = 4.644% kept T HB3 MET 97 - HG3 LYS+ 44 3.846% * 4.1538% (0.32 10.00 0.21 0.02) = 4.154% kept HG12 ILE 101 - QG2 VAL 65 3.846% * 3.9242% (0.44 1.00 1.44 5.65) = 3.924% kept HB ILE 100 - QG2 VAL 65 3.846% * 1.7826% (0.44 1.00 0.65 0.02) = 1.783% kept HG12 ILE 101 - HG3 LYS+ 44 3.846% * 0.2493% (0.41 1.00 0.10 0.02) = 0.249% HG2 ARG+ 22 - QG2 VAL 65 3.846% * 0.1217% (0.99 1.00 0.02 0.02) = 0.122% HG2 ARG+ 22 - HG3 LYS+ 44 3.846% * 0.1135% (0.92 1.00 0.02 0.02) = 0.113% HG3 ARG+ 84 - QG2 VAL 65 3.846% * 0.0838% (0.68 1.00 0.02 0.02) = 0.084% HG3 ARG+ 84 - HG3 LYS+ 44 3.846% * 0.0781% (0.64 1.00 0.02 0.02) = 0.078% HG LEU 23 - QG2 VAL 65 3.846% * 0.0642% (0.52 1.00 0.02 0.02) = 0.064% HG LEU 23 - HG3 LYS+ 44 3.846% * 0.0598% (0.49 1.00 0.02 0.02) = 0.060% HB ILE 100 - HG3 LYS+ 44 3.846% * 0.0510% (0.41 1.00 0.02 0.02) = 0.051% HB ILE 68 - QG2 VAL 65 3.846% * 0.0501% (0.41 1.00 0.02 1.17) = 0.050% HG LEU 43 - QG2 VAL 65 3.846% * 0.0501% (0.41 1.00 0.02 0.02) = 0.050% HB VAL 122 - QG2 VAL 65 3.846% * 0.0501% (0.41 1.00 0.02 0.02) = 0.050% HB VAL 122 - HG3 LYS+ 44 3.846% * 0.0468% (0.38 1.00 0.02 0.02) = 0.047% HB ILE 68 - HG3 LYS+ 44 3.846% * 0.0468% (0.38 1.00 0.02 0.17) = 0.047% HB3 MET 126 - QG2 VAL 65 3.846% * 0.0339% (0.28 1.00 0.02 0.02) = 0.034% HB3 MET 126 - HG3 LYS+ 44 3.846% * 0.0316% (0.26 1.00 0.02 0.02) = 0.032% HG3 LYS+ 78 - QG2 VAL 65 3.846% * 0.0241% (0.20 1.00 0.02 0.02) = 0.024% HG3 LYS+ 78 - HG3 LYS+ 44 3.846% * 0.0225% (0.18 1.00 0.02 0.02) = 0.023% HB3 LYS+ 81 - QG2 VAL 65 3.846% * 0.0214% (0.17 1.00 0.02 0.02) = 0.021% HB3 LYS+ 81 - HG3 LYS+ 44 3.846% * 0.0199% (0.16 1.00 0.02 0.02) = 0.020% Peak 3388 (1.59, 0.85, 23.55 ppm): 9 chemical-shift based assignments, quality = 0.136, support = 0.473, residual support = 1.17: HB3 PRO 52 - QD2 LEU 90 11.111% * 44.9417% (0.14 1.00 0.79 2.38) = 44.942% kept HD3 LYS+ 32 - QD2 LEU 90 11.111% * 15.8646% (0.18 1.00 0.22 0.21) = 15.865% kept HB ILE 19 - QD2 LEU 90 11.111% * 15.7702% (0.11 1.00 0.35 0.29) = 15.770% kept HG2 LYS+ 110 - QD2 LEU 90 11.111% * 8.7461% (0.10 1.00 0.21 0.02) = 8.746% kept T HG LEU 17 - QD2 LEU 90 11.111% * 8.2449% (0.10 10.00 0.02 0.17) = 8.245% kept HG3 LYS+ 78 - QD2 LEU 90 11.111% * 3.1897% (0.04 1.00 0.21 0.02) = 3.190% kept HB3 LYS+ 32 - QD2 LEU 90 11.111% * 2.0011% (0.25 1.00 0.02 0.21) = 2.001% kept HD3 LYS+ 60 - QD2 LEU 90 11.111% * 0.6841% (0.09 1.00 0.02 0.02) = 0.684% HD3 LYS+ 81 - QD2 LEU 90 11.111% * 0.5576% (0.07 1.00 0.02 0.02) = 0.558% Not enough quality. Peak unassigned. Peak 3389 (0.85, 0.85, 23.55 ppm): 8 chemical-shift based assignments, quality = 0.153, support = 0.629, residual support = 10.2: * O QD1 LEU 90 - QD2 LEU 90 12.500% * 52.2557% (0.13 10.0 1.00 1.00 19.40) = 52.256% kept T QG2 VAL 13 - QD2 LEU 90 12.500% * 18.6340% (0.25 1.0 10.00 0.19 0.02) = 18.634% kept T QG1 VAL 13 - QD2 LEU 90 12.500% * 17.1059% (0.14 1.0 10.00 0.30 0.02) = 17.106% kept T QD1 ILE 29 - QD2 LEU 90 12.500% * 7.3041% (0.14 1.0 10.00 0.13 0.02) = 7.304% kept T QD2 LEU 17 - QD2 LEU 90 12.500% * 3.8314% (0.04 1.0 10.00 0.25 0.17) = 3.831% kept T QG1 VAL 94 - QD2 LEU 90 12.500% * 0.6131% (0.08 1.0 10.00 0.02 0.02) = 0.613% HG2 LYS+ 117 - QD2 LEU 90 12.500% * 0.1591% (0.20 1.0 1.00 0.02 0.02) = 0.159% QG2 ILE 100 - QD2 LEU 90 12.500% * 0.0967% (0.12 1.0 1.00 0.02 0.02) = 0.097% Peak 3390 (3.81, 0.85, 23.55 ppm): 6 chemical-shift based assignments, quality = 0.2, support = 0.0525, residual support = 0.151: HA2 GLY 92 - QD2 LEU 90 16.667% * 45.4797% (0.17 0.09 0.31) = 45.480% kept HB3 SER 41 - QD2 LEU 90 16.667% * 13.9712% (0.25 0.02 0.02) = 13.971% kept HD3 PRO 86 - QD2 LEU 90 16.667% * 13.3639% (0.23 0.02 0.02) = 13.364% kept HD3 PRO 116 - QD2 LEU 90 16.667% * 12.5577% (0.22 0.02 0.02) = 12.558% kept HD3 PRO 112 - QD2 LEU 90 16.667% * 12.0921% (0.21 0.02 0.02) = 12.092% kept HA LYS+ 117 - QD2 LEU 90 16.667% * 2.5354% (0.04 0.02 0.02) = 2.535% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 3391 (0.58, 0.29, 23.82 ppm): 8 chemical-shift based assignments, quality = 0.946, support = 3.05, residual support = 73.3: * O T QD1 LEU 23 - QD2 LEU 23 12.500% * 60.6931% (0.92 10.0 10.00 4.46 120.22) = 60.693% kept O QG2 VAL 122 - QG1 VAL 122 12.500% * 32.6669% (0.99 10.0 1.00 1.00 0.94) = 32.667% kept T QD1 LEU 23 - QG1 VAL 122 12.500% * 6.5330% (0.97 1.0 10.00 0.20 0.02) = 6.533% kept QG2 VAL 122 - QD2 LEU 23 12.500% * 0.0618% (0.94 1.0 1.00 0.02 0.02) = 0.062% QD1 ILE 101 - QG1 VAL 122 12.500% * 0.0130% (0.20 1.0 1.00 0.02 0.02) = 0.013% QD1 ILE 101 - QD2 LEU 23 12.500% * 0.0123% (0.19 1.0 1.00 0.02 0.51) = 0.012% QG2 ILE 48 - QG1 VAL 122 12.500% * 0.0103% (0.16 1.0 1.00 0.02 0.02) = 0.010% QG2 ILE 48 - QD2 LEU 23 12.500% * 0.0097% (0.15 1.0 1.00 0.02 0.33) = 0.010% Peak 3392 (2.17, 0.29, 23.82 ppm): 20 chemical-shift based assignments, quality = 0.758, support = 1.41, residual support = 5.34: HB2 ASP- 82 - QD2 LEU 23 5.000% * 37.4538% (0.86 1.70 2.84) = 37.454% kept HB VAL 99 - QD2 LEU 23 5.000% * 28.9903% (0.68 1.67 13.87) = 28.990% kept HG2 GLN 102 - QD2 LEU 23 5.000% * 25.2078% (0.88 1.11 0.99) = 25.208% kept HB3 PRO 104 - QD2 LEU 23 5.000% * 1.8259% (0.71 0.10 0.02) = 1.826% kept HG2 MET 126 - QD2 LEU 23 5.000% * 1.6735% (0.23 0.28 0.02) = 1.673% kept HG2 PRO 112 - QG1 VAL 122 5.000% * 0.4947% (0.96 0.02 0.02) = 0.495% HG2 GLN 102 - QG1 VAL 122 5.000% * 0.4830% (0.94 0.02 0.02) = 0.483% HB2 ASP- 82 - QG1 VAL 122 5.000% * 0.4713% (0.92 0.02 0.02) = 0.471% HG2 PRO 112 - QD2 LEU 23 5.000% * 0.4634% (0.90 0.02 0.02) = 0.463% HG2 PRO 104 - QG1 VAL 122 5.000% * 0.4579% (0.89 0.02 0.02) = 0.458% HG2 PRO 104 - QD2 LEU 23 5.000% * 0.4289% (0.84 0.02 0.02) = 0.429% HB3 PRO 104 - QG1 VAL 122 5.000% * 0.3902% (0.76 0.02 0.02) = 0.390% HB VAL 99 - QG1 VAL 122 5.000% * 0.3707% (0.72 0.02 0.02) = 0.371% HB VAL 47 - QG1 VAL 122 5.000% * 0.2289% (0.45 0.02 0.02) = 0.229% HB VAL 47 - QD2 LEU 23 5.000% * 0.2144% (0.42 0.02 0.02) = 0.214% HB3 GLU- 75 - QG1 VAL 122 5.000% * 0.2131% (0.42 0.02 0.02) = 0.213% HB3 GLU- 75 - QD2 LEU 23 5.000% * 0.1997% (0.39 0.02 0.02) = 0.200% HB3 LYS+ 78 - QG1 VAL 122 5.000% * 0.1576% (0.31 0.02 0.02) = 0.158% HB3 LYS+ 78 - QD2 LEU 23 5.000% * 0.1476% (0.29 0.02 0.02) = 0.148% HG2 MET 126 - QG1 VAL 122 5.000% * 0.1273% (0.25 0.02 0.02) = 0.127% Peak 3394 (2.91, 0.29, 23.82 ppm): 10 chemical-shift based assignments, quality = 0.815, support = 1.09, residual support = 1.61: HB2 HIS+ 98 - QD2 LEU 23 10.000% * 49.5758% (0.86 1.52 3.05) = 49.576% kept HE3 LYS+ 81 - QD2 LEU 23 10.000% * 27.3286% (0.93 0.77 0.29) = 27.329% kept HB2 CYS 121 - QG1 VAL 122 10.000% * 16.3080% (0.60 0.71 0.11) = 16.308% kept HE3 LYS+ 81 - QG1 VAL 122 10.000% * 3.5073% (1.00 0.09 0.02) = 3.507% kept HB3 ASN 57 - QG1 VAL 122 10.000% * 0.7468% (0.99 0.02 0.02) = 0.747% HB3 ASN 57 - QD2 LEU 23 10.000% * 0.6996% (0.92 0.02 0.02) = 0.700% HB2 HIS+ 98 - QG1 VAL 122 10.000% * 0.6955% (0.92 0.02 0.02) = 0.696% HB2 CYS 121 - QD2 LEU 23 10.000% * 0.4281% (0.57 0.02 0.02) = 0.428% HE3 LYS+ 60 - QG1 VAL 122 10.000% * 0.3667% (0.48 0.02 0.02) = 0.367% HE3 LYS+ 60 - QD2 LEU 23 10.000% * 0.3436% (0.45 0.02 0.02) = 0.344% Peak 3395 (3.26, 0.29, 23.82 ppm): 8 chemical-shift based assignments, quality = 0.244, support = 2.02, residual support = 13.2: HD3 ARG+ 22 - QD2 LEU 23 12.500% * 31.3630% (0.16 3.52 40.43) = 31.363% kept HD3 ARG+ 53 - QD2 LEU 23 12.500% * 20.8484% (0.42 0.91 0.20) = 20.848% kept HD2 PRO 52 - QG1 VAL 122 12.500% * 15.4686% (0.13 2.10 1.58) = 15.469% kept * HD2 PRO 52 - QD2 LEU 23 12.500% * 14.5811% (0.13 2.12 1.63) = 14.581% kept HD3 ARG+ 53 - QG1 VAL 122 12.500% * 13.3220% (0.45 0.55 0.02) = 13.322% kept HD3 ARG+ 22 - QG1 VAL 122 12.500% * 3.8319% (0.17 0.40 0.02) = 3.832% kept HE3 LYS+ 63 - QG1 VAL 122 12.500% * 0.3020% (0.28 0.02 0.02) = 0.302% HE3 LYS+ 63 - QD2 LEU 23 12.500% * 0.2829% (0.26 0.02 0.02) = 0.283% Peak 3396 (3.72, 0.29, 23.82 ppm): 10 chemical-shift based assignments, quality = 0.52, support = 1.0, residual support = 8.22: * HB2 TRP 51 - QD2 LEU 23 10.000% * 40.1979% (0.49 1.28 17.32) = 40.198% kept HB2 TRP 51 - QG1 VAL 122 10.000% * 37.3079% (0.52 1.11 3.23) = 37.308% kept HA LYS+ 81 - QD2 LEU 23 10.000% * 15.5861% (0.57 0.43 0.29) = 15.586% kept HA LYS+ 81 - QG1 VAL 122 10.000% * 3.5945% (0.60 0.09 0.02) = 3.594% kept HB3 SER 69 - QG1 VAL 122 10.000% * 1.1043% (0.86 0.02 0.02) = 1.104% kept HB3 SER 69 - QD2 LEU 23 10.000% * 1.0346% (0.81 0.02 0.02) = 1.035% kept HA LEU 43 - QG1 VAL 122 10.000% * 0.4343% (0.34 0.02 0.02) = 0.434% HA LEU 43 - QD2 LEU 23 10.000% * 0.4068% (0.32 0.02 0.02) = 0.407% HD3 PRO 104 - QG1 VAL 122 10.000% * 0.1723% (0.13 0.02 0.02) = 0.172% HD3 PRO 104 - QD2 LEU 23 10.000% * 0.1614% (0.13 0.02 0.02) = 0.161% Peak 3397 (3.85, 0.29, 23.82 ppm): 20 chemical-shift based assignments, quality = 0.551, support = 0.137, residual support = 0.0276: HA2 GLY 114 - QD2 LEU 23 5.000% * 26.3609% (0.57 0.23 0.02) = 26.361% kept HB2 SER 85 - QG1 VAL 122 5.000% * 18.6077% (0.64 0.15 0.02) = 18.608% kept HB2 SER 85 - QD2 LEU 23 5.000% * 15.3467% (0.60 0.13 0.02) = 15.347% kept HD3 PRO 116 - QD2 LEU 23 5.000% * 9.6761% (0.21 0.23 0.02) = 9.676% kept HA LYS+ 117 - QG1 VAL 122 5.000% * 3.6565% (0.92 0.02 0.02) = 3.657% kept HA LYS+ 117 - QD2 LEU 23 5.000% * 3.4255% (0.86 0.02 0.02) = 3.426% kept HB3 SER 88 - QG1 VAL 122 5.000% * 2.7209% (0.68 0.02 0.02) = 2.721% kept HB3 SER 88 - QD2 LEU 23 5.000% * 2.5490% (0.64 0.02 0.14) = 2.549% kept HB3 SER 77 - QG1 VAL 122 5.000% * 2.4025% (0.60 0.02 0.02) = 2.402% kept HA2 GLY 114 - QG1 VAL 122 5.000% * 2.4025% (0.60 0.02 0.02) = 2.402% kept HB3 SER 77 - QD2 LEU 23 5.000% * 2.2507% (0.57 0.02 0.02) = 2.251% kept HB3 SER 27 - QG1 VAL 122 5.000% * 1.4866% (0.37 0.02 0.02) = 1.487% kept HA2 GLY 92 - QG1 VAL 122 5.000% * 1.4866% (0.37 0.02 0.02) = 1.487% kept HB3 SER 27 - QD2 LEU 23 5.000% * 1.3927% (0.35 0.02 0.37) = 1.393% kept HA2 GLY 92 - QD2 LEU 23 5.000% * 1.3927% (0.35 0.02 0.02) = 1.393% kept HA GLU- 45 - QG1 VAL 122 5.000% * 1.3511% (0.34 0.02 0.02) = 1.351% kept HA GLU- 45 - QD2 LEU 23 5.000% * 1.2658% (0.32 0.02 0.02) = 1.266% kept HD3 PRO 116 - QG1 VAL 122 5.000% * 0.8819% (0.22 0.02 0.02) = 0.882% HD3 PRO 86 - QG1 VAL 122 5.000% * 0.6937% (0.17 0.02 0.02) = 0.694% HD3 PRO 86 - QD2 LEU 23 5.000% * 0.6499% (0.16 0.02 0.02) = 0.650% Not enough support, support cutoff is 0.27 Peak unassigned. Peak 3398 (4.35, 0.29, 23.82 ppm): 8 chemical-shift based assignments, quality = 0.227, support = 1.83, residual support = 8.81: HA TRP 51 - QG1 VAL 122 12.500% * 44.1322% (0.22 2.06 3.23) = 44.132% kept * HA TRP 51 - QD2 LEU 23 12.500% * 42.6311% (0.21 2.12 17.32) = 42.631% kept HB THR 61 - QD2 LEU 23 12.500% * 8.5931% (0.38 0.23 0.02) = 8.593% kept HA LYS+ 60 - QD2 LEU 23 12.500% * 1.5038% (0.18 0.08 0.02) = 1.504% kept HA2 GLY 26 - QG1 VAL 122 12.500% * 1.0147% (0.52 0.02 0.02) = 1.015% kept HA2 GLY 26 - QD2 LEU 23 12.500% * 0.9506% (0.49 0.02 0.02) = 0.951% HB THR 61 - QG1 VAL 122 12.500% * 0.7929% (0.41 0.02 0.02) = 0.793% HA LYS+ 60 - QG1 VAL 122 12.500% * 0.3817% (0.20 0.02 0.02) = 0.382% Peak 3399 (7.33, 0.29, 23.82 ppm): 12 chemical-shift based assignments, quality = 0.885, support = 1.75, residual support = 9.34: * HZ2 TRP 51 - QD2 LEU 23 8.333% * 48.2356% (0.93 2.64 17.32) = 48.236% kept HZ2 TRP 51 - QG1 VAL 122 8.333% * 27.0965% (0.99 1.38 3.23) = 27.096% kept HN ARG+ 84 - QG1 VAL 122 8.333% * 6.9605% (0.60 0.59 1.53) = 6.961% kept HN ARG+ 84 - QD2 LEU 23 8.333% * 6.1277% (0.56 0.55 0.02) = 6.128% kept HZ PHE 34 - QD2 LEU 23 8.333% * 4.8777% (0.93 0.27 0.02) = 4.878% kept QE PHE 34 - QD2 LEU 23 8.333% * 4.8777% (0.93 0.27 0.02) = 4.878% kept HZ PHE 34 - QG1 VAL 122 8.333% * 0.3918% (0.99 0.02 0.02) = 0.392% QE PHE 34 - QG1 VAL 122 8.333% * 0.3918% (0.99 0.02 0.02) = 0.392% QD PHE 34 - QG1 VAL 122 8.333% * 0.2845% (0.72 0.02 0.02) = 0.285% QD PHE 34 - QD2 LEU 23 8.333% * 0.2658% (0.67 0.02 0.02) = 0.266% HN VAL 47 - QG1 VAL 122 8.333% * 0.2535% (0.64 0.02 0.02) = 0.253% HN VAL 47 - QD2 LEU 23 8.333% * 0.2368% (0.60 0.02 0.02) = 0.237% Peak 3400 (7.20, 0.29, 23.82 ppm): 4 chemical-shift based assignments, quality = 0.81, support = 2.23, residual support = 11.9: * HH2 TRP 51 - QD2 LEU 23 25.000% * 37.5034% (0.92 2.66 17.32) = 37.503% kept HN TRP 51 - QD2 LEU 23 25.000% * 24.3380% (0.60 2.64 17.32) = 24.338% kept HH2 TRP 51 - QG1 VAL 122 25.000% * 21.3186% (0.99 1.41 3.23) = 21.319% kept HN TRP 51 - QG1 VAL 122 25.000% * 16.8401% (0.64 1.71 3.23) = 16.840% kept Peak 3401 (6.74, 0.29, 23.82 ppm): 4 chemical-shift based assignments, quality = 0.903, support = 1.92, residual support = 8.95: * HZ3 TRP 51 - QD2 LEU 23 25.000% * 45.6493% (0.88 2.75 17.32) = 45.649% kept HZ3 TRP 51 - QG1 VAL 122 25.000% * 28.7864% (0.94 1.62 3.23) = 28.786% kept QE TYR 83 - QD2 LEU 23 25.000% * 15.6140% (0.88 0.94 0.70) = 15.614% kept QE TYR 83 - QG1 VAL 122 25.000% * 9.9502% (0.94 0.56 0.02) = 9.950% kept Peak 3402 (3.72, 3.71, 65.41 ppm): 1 diagonal assignment: * HB3 SER 69 - HB3 SER 69 (0.57) kept Peak 3404 (2.22, 3.71, 65.41 ppm): 14 chemical-shift based assignments, quality = 0.749, support = 0.484, residual support = 0.0193: HA1 GLY 58 - HB3 SER 69 7.143% * 32.6887% (0.79 0.57 0.02) = 32.689% kept HG3 MET 97 - HB3 SER 69 7.143% * 30.7497% (0.79 0.54 0.02) = 30.750% kept HG3 MET 126 - HB3 SER 69 7.143% * 25.2597% (0.69 0.51 0.02) = 25.260% kept HG2 PRO 112 - HB3 SER 69 7.143% * 1.3625% (0.95 0.02 0.02) = 1.363% kept HG3 GLN 102 - HB3 SER 69 7.143% * 1.3598% (0.94 0.02 0.02) = 1.360% kept HG3 GLU- 109 - HB3 SER 69 7.143% * 1.3508% (0.94 0.02 0.02) = 1.351% kept HB2 PRO 52 - HB3 SER 69 7.143% * 1.3508% (0.94 0.02 0.02) = 1.351% kept HG3 GLU- 18 - HB3 SER 69 7.143% * 1.3152% (0.91 0.02 0.02) = 1.315% kept HB2 GLU- 50 - HB3 SER 69 7.143% * 1.2580% (0.87 0.02 0.02) = 1.258% kept HB3 GLU- 45 - HB3 SER 69 7.143% * 0.9361% (0.65 0.02 0.02) = 0.936% HG3 GLN 16 - HB3 SER 69 7.143% * 0.8266% (0.57 0.02 0.02) = 0.827% HG3 GLU- 10 - HB3 SER 69 7.143% * 0.7716% (0.54 0.02 0.02) = 0.772% HB3 ASN 15 - HB3 SER 69 7.143% * 0.5603% (0.39 0.02 0.02) = 0.560% HG2 MET 126 - HB3 SER 69 7.143% * 0.2103% (0.15 0.02 0.02) = 0.210% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 3405 (1.67, 3.71, 65.41 ppm): 10 chemical-shift based assignments, quality = 0.725, support = 1.82, residual support = 2.21: T HG3 ARG+ 84 - HB3 SER 69 10.000% * 60.4448% (0.79 10.00 2.36 3.49) = 60.445% kept T HB3 LYS+ 81 - HB3 SER 69 10.000% * 22.9534% (0.87 10.00 0.69 0.43) = 22.953% kept T HG2 PRO 52 - HB3 SER 69 10.000% * 16.2212% (0.29 10.00 1.45 0.02) = 16.221% kept HB3 MET 97 - HB3 SER 69 10.000% * 0.0724% (0.95 1.00 0.02 0.02) = 0.072% HB3 MET 126 - HB3 SER 69 10.000% * 0.0717% (0.94 1.00 0.02 0.02) = 0.072% HB ILE 100 - HB3 SER 69 10.000% * 0.0709% (0.93 1.00 0.02 0.02) = 0.071% HB3 LYS+ 66 - HB3 SER 69 10.000% * 0.0698% (0.91 1.00 0.02 0.02) = 0.070% HD3 LYS+ 55 - HB3 SER 69 10.000% * 0.0410% (0.54 1.00 0.02 0.02) = 0.041% HG13 ILE 19 - HB3 SER 69 10.000% * 0.0324% (0.42 1.00 0.02 0.13) = 0.032% HG2 ARG+ 22 - HB3 SER 69 10.000% * 0.0223% (0.29 1.00 0.02 0.02) = 0.022% Peak 3407 (0.46, 3.71, 65.41 ppm): 2 chemical-shift based assignments, quality = 0.8, support = 3.22, residual support = 33.0: * T QD2 LEU 74 - HB3 SER 69 50.000% * 77.8594% (0.93 10.00 3.72 41.97) = 77.859% kept T QD2 LEU 43 - HB3 SER 69 50.000% * 22.1406% (0.35 10.00 1.49 1.67) = 22.141% kept Peak 3408 (-0.04, 3.71, 65.41 ppm): 1 chemical-shift based assignment, quality = 0.82, support = 3.76, residual support = 42.0: * T QD1 LEU 74 - HB3 SER 69 100.000% *100.0000% (0.82 10.00 3.76 41.97) = 100.000% kept Peak 3409 (2.22, 3.54, 65.47 ppm): 14 chemical-shift based assignments, quality = 0.658, support = 1.05, residual support = 0.0187: HB2 PRO 52 - HB2 SER 69 7.143% * 59.9948% (0.78 1.47 0.02) = 59.995% kept HA1 GLY 58 - HB2 SER 69 7.143% * 19.7547% (0.65 0.58 0.02) = 19.755% kept HB3 GLU- 45 - HB2 SER 69 7.143% * 11.3215% (0.54 0.40 0.02) = 11.322% kept HG2 MET 126 - HB2 SER 69 7.143% * 2.3428% (0.12 0.37 0.02) = 2.343% kept HG2 PRO 112 - HB2 SER 69 7.143% * 0.8208% (0.78 0.02 0.02) = 0.821% HG3 GLN 102 - HB2 SER 69 7.143% * 0.8192% (0.78 0.02 0.02) = 0.819% HG3 GLU- 109 - HB2 SER 69 7.143% * 0.8137% (0.78 0.02 0.02) = 0.814% HG3 GLU- 18 - HB2 SER 69 7.143% * 0.7923% (0.76 0.02 0.02) = 0.792% HB2 GLU- 50 - HB2 SER 69 7.143% * 0.7579% (0.72 0.02 0.02) = 0.758% HG3 MET 97 - HB2 SER 69 7.143% * 0.6858% (0.65 0.02 0.02) = 0.686% HG3 MET 126 - HB2 SER 69 7.143% * 0.5962% (0.57 0.02 0.02) = 0.596% HG3 GLN 16 - HB2 SER 69 7.143% * 0.4980% (0.47 0.02 0.02) = 0.498% HG3 GLU- 10 - HB2 SER 69 7.143% * 0.4648% (0.44 0.02 0.02) = 0.465% HB3 ASN 15 - HB2 SER 69 7.143% * 0.3375% (0.32 0.02 0.02) = 0.338% Peak 3410 (1.67, 3.54, 65.47 ppm): 9 chemical-shift based assignments, quality = 0.642, support = 0.509, residual support = 0.979: HB3 LYS+ 81 - HB2 SER 69 11.111% * 30.5840% (0.78 0.54 0.43) = 30.584% kept HG3 ARG+ 84 - HB2 SER 69 11.111% * 24.0706% (0.44 0.75 3.49) = 24.071% kept HB3 MET 97 - HB2 SER 69 11.111% * 21.3237% (0.70 0.42 0.02) = 21.324% kept HB3 MET 126 - HB2 SER 69 11.111% * 19.8353% (0.74 0.37 0.02) = 19.835% kept HD3 LYS+ 55 - HB2 SER 69 11.111% * 0.9470% (0.65 0.02 0.02) = 0.947% HB ILE 100 - HB2 SER 69 11.111% * 0.9078% (0.63 0.02 0.02) = 0.908% HB3 LYS+ 66 - HB2 SER 69 11.111% * 0.8664% (0.60 0.02 0.02) = 0.866% HG13 ILE 19 - HB2 SER 69 11.111% * 0.8233% (0.57 0.02 0.13) = 0.823% HG2 PRO 52 - HB2 SER 69 11.111% * 0.6419% (0.44 0.02 0.02) = 0.642% Peak 3411 (0.45, 3.54, 65.47 ppm): 2 chemical-shift based assignments, quality = 0.592, support = 3.6, residual support = 39.1: * T QD2 LEU 74 - HB2 SER 69 50.000% * 92.8598% (0.63 10.00 3.82 41.97) = 92.860% kept T QD2 LEU 43 - HB2 SER 69 50.000% * 7.1402% (0.14 10.00 0.70 1.67) = 7.140% kept Peak 3412 (-0.03, 3.54, 65.47 ppm): 1 chemical-shift based assignment, quality = 0.781, support = 3.9, residual support = 42.0: * T QD1 LEU 74 - HB2 SER 69 100.000% *100.0000% (0.78 10.00 3.90 41.97) = 100.000% kept Peak 3413 (0.91, 3.43, 65.93 ppm): 13 chemical-shift based assignments, quality = 0.282, support = 3.49, residual support = 27.5: * QG1 VAL 47 - HA ILE 48 7.692% * 79.8643% (0.29 4.29 34.45) = 79.864% kept QD1 LEU 67 - HA ILE 48 7.692% * 6.2428% (0.31 0.31 0.17) = 6.243% kept HG3 LYS+ 117 - HA ILE 48 7.692% * 6.1170% (0.33 0.29 0.02) = 6.117% kept QG1 VAL 80 - HA ILE 48 7.692% * 3.3813% (0.14 0.37 0.02) = 3.381% kept HG12 ILE 68 - HA ILE 48 7.692% * 1.5342% (0.20 0.12 0.02) = 1.534% kept QG2 VAL 125 - HA ILE 48 7.692% * 1.1792% (0.05 0.34 0.17) = 1.179% kept QG2 VAL 87 - HA ILE 48 7.692% * 0.3403% (0.27 0.02 0.02) = 0.340% QG2 VAL 40 - HA ILE 48 7.692% * 0.3403% (0.27 0.02 0.02) = 0.340% QG2 VAL 80 - HA ILE 48 7.692% * 0.3403% (0.27 0.02 0.02) = 0.340% HG3 LYS+ 110 - HA ILE 48 7.692% * 0.2881% (0.23 0.02 0.02) = 0.288% QG2 VAL 105 - HA ILE 48 7.692% * 0.1374% (0.11 0.02 0.02) = 0.137% QD1 LEU 17 - HA ILE 48 7.692% * 0.1238% (0.10 0.02 0.02) = 0.124% QG1 VAL 105 - HA ILE 48 7.692% * 0.1110% (0.09 0.02 0.02) = 0.111% Peak 3414 (0.39, 3.43, 65.93 ppm): 2 chemical-shift based assignments, quality = 0.344, support = 5.33, residual support = 149.8: * T QD1 ILE 48 - HA ILE 48 50.000% * 50.0000% (0.34 1.0 10.00 5.92 149.82) = 50.000% kept O T HG12 ILE 48 - HA ILE 48 50.000% * 50.0000% (0.34 10.0 10.00 4.75 149.82) = 50.000% kept Peak 3415 (1.73, 3.43, 65.83 ppm): 6 chemical-shift based assignments, quality = 0.414, support = 5.93, residual support = 143.0: * O T HB ILE 48 - HA ILE 48 16.667% * 95.4595% (0.42 10.0 10.00 6.19 149.82) = 95.459% kept HB3 LEU 23 - HA ILE 48 16.667% * 2.7418% (0.32 1.0 1.00 0.75 0.33) = 2.742% kept HB2 GLN 16 - HA ILE 48 16.667% * 1.6750% (0.46 1.0 1.00 0.32 0.02) = 1.675% kept HB2 LYS+ 117 - HA ILE 48 16.667% * 0.0676% (0.29 1.0 1.00 0.02 0.02) = 0.068% HB2 LEU 17 - HA ILE 48 16.667% * 0.0347% (0.15 1.0 1.00 0.02 0.02) = 0.035% HD3 PRO 59 - HA ILE 48 16.667% * 0.0214% (0.09 1.0 1.00 0.02 0.02) = 0.021% Peak 3416 (7.34, 1.13, 24.84 ppm): 6 chemical-shift based assignments, quality = 0.884, support = 2.41, residual support = 7.64: HZ PHE 34 - HG3 LYS+ 32 16.667% * 39.6843% (0.94 3.33 9.22) = 39.684% kept * QE PHE 34 - HG3 LYS+ 32 16.667% * 26.2524% (0.94 2.20 9.22) = 26.252% kept HZ2 TRP 51 - HG3 LYS+ 32 16.667% * 16.7351% (0.94 1.40 1.46) = 16.735% kept QD PHE 34 - HG3 LYS+ 32 16.667% * 14.2550% (0.62 1.83 9.22) = 14.255% kept HN VAL 47 - HG3 LYS+ 32 16.667% * 2.9466% (0.54 0.43 0.02) = 2.947% kept HN ARG+ 84 - HG3 LYS+ 32 16.667% * 0.1266% (0.50 0.02 0.02) = 0.127% Peak 3417 (8.23, 1.13, 24.84 ppm): 11 chemical-shift based assignments, quality = 0.894, support = 0.367, residual support = 0.0193: HN LYS+ 81 - HG3 LYS+ 32 9.091% * 39.8355% (0.92 0.56 0.02) = 39.835% kept HN GLY 58 - HG3 LYS+ 32 9.091% * 23.8946% (0.95 0.32 0.02) = 23.895% kept HN SER 49 - HG3 LYS+ 32 9.091% * 17.3959% (0.93 0.24 0.02) = 17.396% kept HN LEU 67 - HG3 LYS+ 32 9.091% * 13.8958% (0.92 0.19 0.02) = 13.896% kept HN GLU- 12 - HG3 LYS+ 32 9.091% * 1.3317% (0.85 0.02 0.02) = 1.332% kept HN VAL 94 - HG3 LYS+ 32 9.091% * 0.7813% (0.50 0.02 0.02) = 0.781% HN VAL 105 - HG3 LYS+ 32 9.091% * 0.7228% (0.46 0.02 0.02) = 0.723% HN THR 106 - HG3 LYS+ 32 9.091% * 0.6657% (0.43 0.02 0.02) = 0.666% HN ASP- 115 - HG3 LYS+ 32 9.091% * 0.5573% (0.36 0.02 0.02) = 0.557% HN ALA 11 - HG3 LYS+ 32 9.091% * 0.5065% (0.32 0.02 0.02) = 0.507% HN GLU- 45 - HG3 LYS+ 32 9.091% * 0.4129% (0.26 0.02 0.02) = 0.413% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 3418 (7.97, 1.48, 24.80 ppm): 4 chemical-shift based assignments, quality = 0.149, support = 4.65, residual support = 25.5: * HN LYS+ 72 - HG3 LYS+ 72 25.000% * 99.0562% (0.15 4.70 25.75) = 99.056% kept HN LEU 43 - HG3 LYS+ 72 25.000% * 0.3476% (0.12 0.02 0.02) = 0.348% HN LYS+ 72 - HG3 LYS+ 60 25.000% * 0.3269% (0.12 0.02 0.02) = 0.327% HN LEU 43 - HG3 LYS+ 60 25.000% * 0.2694% (0.10 0.02 0.02) = 0.269% Peak 3419 (8.14, 0.90, 24.44 ppm): 4 chemical-shift based assignments, quality = 0.136, support = 2.94, residual support = 14.4: * HN SER 41 - QG2 VAL 40 25.000% * 58.1930% (0.07 4.54 24.52) = 58.193% kept HN SER 77 - QG2 VAL 40 25.000% * 33.8788% (0.25 0.81 0.31) = 33.879% kept HN SER 88 - QG2 VAL 40 25.000% * 7.2474% (0.13 0.33 0.02) = 7.247% kept HN GLY 26 - QG2 VAL 40 25.000% * 0.6808% (0.20 0.02 0.02) = 0.681% Peak 3421 (7.07, 0.90, 24.44 ppm): 2 chemical-shift based assignments, quality = 0.257, support = 0.283, residual support = 0.387: * QD TYR 83 - QG2 VAL 40 50.000% * 98.2564% (0.26 0.29 0.39) = 98.256% kept QE PHE 21 - QG2 VAL 40 50.000% * 1.7436% (0.07 0.02 0.02) = 1.744% kept Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 3422 (3.17, 0.82, 25.69 ppm): 3 chemical-shift based assignments, quality = 0.971, support = 1.04, residual support = 1.74: * T HD3 ARG+ 84 - QD2 LEU 17 33.333% * 99.0961% (0.98 10.00 1.05 1.76) = 99.096% kept HB3 HIS+ 98 - QD2 LEU 17 33.333% * 0.7213% (0.18 1.00 0.43 0.84) = 0.721% HB3 PHE 34 - QD2 LEU 17 33.333% * 0.1826% (0.95 1.00 0.02 0.02) = 0.183% Peak 3423 (3.98, 0.82, 25.69 ppm): 3 chemical-shift based assignments, quality = 0.555, support = 0.806, residual support = 0.792: HB THR 95 - QD2 LEU 17 33.333% * 67.2806% (0.38 1.10 1.09) = 67.281% kept HA1 GLY 92 - QD2 LEU 17 33.333% * 31.9928% (0.95 0.21 0.17) = 31.993% kept HA THR 38 - QD2 LEU 17 33.333% * 0.7265% (0.22 0.02 0.02) = 0.727% Peak 3424 (4.29, 0.82, 25.69 ppm): 13 chemical-shift based assignments, quality = 0.657, support = 0.967, residual support = 3.35: HA VAL 94 - QD2 LEU 17 7.692% * 12.5846% (0.41 1.74 7.19) = 12.585% kept HA LEU 90 - QD2 LEU 17 7.692% * 11.8785% (0.69 0.98 0.17) = 11.878% kept HA ILE 29 - QD2 LEU 17 7.692% * 11.7638% (0.61 1.10 17.13) = 11.764% kept HA ASP- 36 - QD2 LEU 17 7.692% * 11.1888% (0.99 0.64 0.02) = 11.189% kept HA PRO 52 - QD2 LEU 17 7.692% * 10.7322% (0.38 1.63 2.64) = 10.732% kept HA CYS 121 - QD2 LEU 17 7.692% * 10.6016% (0.97 0.63 0.02) = 10.602% kept HB3 CYS 121 - QD2 LEU 17 7.692% * 9.6565% (0.87 0.63 0.02) = 9.657% kept * HA ARG+ 84 - QD2 LEU 17 7.692% * 5.9021% (0.38 0.90 1.76) = 5.902% kept HA THR 106 - QD2 LEU 17 7.692% * 5.0827% (0.95 0.31 0.02) = 5.083% kept HA ALA 93 - QD2 LEU 17 7.692% * 4.3752% (0.41 0.61 0.23) = 4.375% kept HA SER 85 - QD2 LEU 17 7.692% * 4.3683% (0.38 0.66 0.02) = 4.368% kept HA VAL 122 - QD2 LEU 17 7.692% * 1.7962% (0.61 0.17 0.02) = 1.796% kept HA GLU- 56 - QD2 LEU 17 7.692% * 0.0695% (0.20 0.02 0.02) = 0.070% Peak 3425 (4.54, 0.82, 25.69 ppm): 4 chemical-shift based assignments, quality = 0.718, support = 3.95, residual support = 87.5: * HA LEU 17 - QD2 LEU 17 25.000% * 98.8343% (0.73 3.99 88.51) = 98.834% kept HA ALA 103 - QD2 LEU 17 25.000% * 0.6819% (1.00 0.02 0.02) = 0.682% HB THR 46 - QD2 LEU 17 25.000% * 0.3319% (0.49 0.02 0.02) = 0.332% HA LYS+ 55 - QD2 LEU 17 25.000% * 0.1518% (0.22 0.02 0.02) = 0.152% Peak 3426 (1.59, 0.82, 25.69 ppm): 9 chemical-shift based assignments, quality = 0.37, support = 3.96, residual support = 70.8: * O T HG LEU 17 - QD2 LEU 17 11.111% * 78.9700% (0.31 10.0 10.00 4.58 88.51) = 78.970% kept HB3 PRO 52 - QD2 LEU 17 11.111% * 16.6494% (0.69 1.0 1.00 1.89 2.64) = 16.649% kept HB ILE 19 - QD2 LEU 17 11.111% * 3.6140% (0.34 1.0 1.00 0.83 13.76) = 3.614% kept HB3 LYS+ 32 - QD2 LEU 17 11.111% * 0.2469% (0.97 1.0 1.00 0.02 0.59) = 0.247% HD3 LYS+ 32 - QD2 LEU 17 11.111% * 0.2137% (0.84 1.0 1.00 0.02 0.59) = 0.214% HG2 LYS+ 110 - QD2 LEU 17 11.111% * 0.1346% (0.53 1.0 1.00 0.02 0.02) = 0.135% HD3 LYS+ 60 - QD2 LEU 17 11.111% * 0.0638% (0.25 1.0 1.00 0.02 0.02) = 0.064% HG3 LYS+ 78 - QD2 LEU 17 11.111% * 0.0570% (0.22 1.0 1.00 0.02 0.02) = 0.057% HD3 LYS+ 81 - QD2 LEU 17 11.111% * 0.0506% (0.20 1.0 1.00 0.02 0.02) = 0.051% Peak 3427 (1.68, 0.82, 25.69 ppm): 9 chemical-shift based assignments, quality = 0.863, support = 1.4, residual support = 4.56: HG2 PRO 52 - QD2 LEU 17 11.111% * 69.2578% (0.95 1.78 2.64) = 69.258% kept HG13 ILE 19 - QD2 LEU 17 11.111% * 18.7877% (1.00 0.46 13.76) = 18.788% kept HG3 ARG+ 84 - QD2 LEU 17 11.111% * 8.1254% (0.20 1.00 1.76) = 8.125% kept HB3 LYS+ 66 - QD2 LEU 17 11.111% * 1.2462% (0.34 0.09 0.02) = 1.246% kept HD3 LYS+ 55 - QD2 LEU 17 11.111% * 0.8139% (0.99 0.02 0.02) = 0.814% HB3 LYS+ 81 - QD2 LEU 17 11.111% * 0.5963% (0.73 0.02 0.02) = 0.596% HB3 MET 126 - QD2 LEU 17 11.111% * 0.4649% (0.57 0.02 0.02) = 0.465% HB3 MET 97 - QD2 LEU 17 11.111% * 0.3997% (0.49 0.02 0.94) = 0.400% HB ILE 100 - QD2 LEU 17 11.111% * 0.3082% (0.38 0.02 0.02) = 0.308% Peak 3428 (1.37, 0.82, 25.69 ppm): 8 chemical-shift based assignments, quality = 0.778, support = 4.95, residual support = 86.0: * O T HB3 LEU 17 - QD2 LEU 17 12.500% * 97.2006% (0.80 10.0 10.00 5.09 88.51) = 97.201% kept HB3 LYS+ 20 - QD2 LEU 17 12.500% * 0.9573% (0.95 1.0 1.00 0.17 1.09) = 0.957% T HG13 ILE 68 - QD2 LEU 17 12.500% * 0.7853% (0.65 1.0 10.00 0.02 0.02) = 0.785% QG2 THR 39 - QD2 LEU 17 12.500% * 0.7088% (0.84 1.0 1.00 0.14 0.02) = 0.709% QB ALA 11 - QD2 LEU 17 12.500% * 0.1171% (0.97 1.0 1.00 0.02 0.02) = 0.117% HG2 LYS+ 78 - QD2 LEU 17 12.500% * 0.1171% (0.97 1.0 1.00 0.02 0.02) = 0.117% HG3 LYS+ 81 - QD2 LEU 17 12.500% * 0.0834% (0.69 1.0 1.00 0.02 0.02) = 0.083% HD3 LYS+ 20 - QD2 LEU 17 12.500% * 0.0303% (0.25 1.0 1.00 0.02 1.09) = 0.030% Peak 3429 (0.82, 0.82, 25.69 ppm): 1 diagonal assignment: * QD2 LEU 17 - QD2 LEU 17 (0.99) kept Peak 3430 (3.70, 1.34, 25.00 ppm): 3 chemical-shift based assignments, quality = 0.288, support = 3.15, residual support = 51.0: * O HA LYS+ 81 - HG3 LYS+ 81 33.333% * 98.2784% (0.29 10.0 3.20 51.84) = 98.278% kept HB3 SER 69 - HG3 LYS+ 81 33.333% * 1.6224% (0.24 1.0 0.39 0.43) = 1.622% kept HB2 TRP 51 - HG3 LYS+ 81 33.333% * 0.0992% (0.29 1.0 0.02 0.02) = 0.099% Peak 3431 (3.70, 1.29, 24.93 ppm): 6 chemical-shift based assignments, quality = 0.548, support = 3.55, residual support = 43.6: * O T HA LYS+ 81 - HG2 LYS+ 81 16.667% * 84.1449% (0.54 10.0 10.00 4.16 51.84) = 84.145% kept T HA LYS+ 81 - HG2 LYS+ 32 16.667% * 14.2102% (0.60 1.0 10.00 0.31 0.02) = 14.210% kept HB3 SER 69 - HG2 LYS+ 81 16.667% * 1.3891% (0.46 1.0 1.00 0.39 0.43) = 1.389% kept HB2 TRP 51 - HG2 LYS+ 32 16.667% * 0.0931% (0.60 1.0 1.00 0.02 1.46) = 0.093% HB2 TRP 51 - HG2 LYS+ 81 16.667% * 0.0849% (0.55 1.0 1.00 0.02 0.02) = 0.085% HB3 SER 69 - HG2 LYS+ 32 16.667% * 0.0778% (0.50 1.0 1.00 0.02 0.02) = 0.078% Peak 3432 (4.99, 1.77, 25.40 ppm): 8 chemical-shift based assignments, quality = 0.58, support = 3.18, residual support = 34.7: * O HA PRO 31 - HG2 PRO 31 12.500% * 99.3267% (0.58 10.0 3.20 34.96) = 99.327% kept HA SER 69 - HG3 LYS+ 63 12.500% * 0.1247% (0.73 1.0 0.02 0.02) = 0.125% HA SER 69 - HG2 PRO 31 12.500% * 0.1179% (0.69 1.0 0.02 0.02) = 0.118% HA PRO 31 - HG3 LYS+ 63 12.500% * 0.1051% (0.62 1.0 0.02 0.02) = 0.105% HA ILE 68 - HG3 LYS+ 63 12.500% * 0.0962% (0.57 1.0 0.02 0.02) = 0.096% HA ILE 68 - HG2 PRO 31 12.500% * 0.0909% (0.53 1.0 0.02 0.02) = 0.091% HA MET 97 - HG3 LYS+ 63 12.500% * 0.0712% (0.42 1.0 0.02 0.02) = 0.071% HA MET 97 - HG2 PRO 31 12.500% * 0.0673% (0.40 1.0 0.02 0.02) = 0.067% Peak 3433 (4.99, 1.94, 25.37 ppm): 4 chemical-shift based assignments, quality = 0.803, support = 3.19, residual support = 34.9: * O HA PRO 31 - HG3 PRO 31 25.000% * 99.7228% (0.81 10.0 3.20 34.96) = 99.723% kept HA SER 69 - HG3 PRO 31 25.000% * 0.1183% (0.96 1.0 0.02 0.02) = 0.118% HA ILE 68 - HG3 PRO 31 25.000% * 0.0912% (0.74 1.0 0.02 0.02) = 0.091% HA MET 97 - HG3 PRO 31 25.000% * 0.0676% (0.55 1.0 0.02 0.02) = 0.068% Peak 3434 (1.78, 1.94, 25.25 ppm): 10 chemical-shift based assignments, quality = 0.835, support = 2.95, residual support = 34.3: * O T HG2 PRO 31 - HG3 PRO 31 10.000% * 98.1972% (0.85 10.0 10.00 3.00 34.96) = 98.197% kept T HG3 LYS+ 63 - HG3 PRO 31 10.000% * 0.9885% (0.86 1.0 10.00 0.02 0.02) = 0.989% HB3 GLU- 18 - HG3 PRO 31 10.000% * 0.3676% (0.69 1.0 1.00 0.09 0.02) = 0.368% HG3 ARG+ 53 - HG3 PRO 31 10.000% * 0.0971% (0.84 1.0 1.00 0.02 0.02) = 0.097% HB2 ARG+ 84 - HG3 PRO 31 10.000% * 0.0859% (0.74 1.0 1.00 0.02 0.02) = 0.086% HG2 ARG+ 84 - HG3 PRO 31 10.000% * 0.0828% (0.72 1.0 1.00 0.02 0.02) = 0.083% HB3 LYS+ 108 - HG3 PRO 31 10.000% * 0.0719% (0.62 1.0 1.00 0.02 0.02) = 0.072% HB3 LYS+ 63 - HG3 PRO 31 10.000% * 0.0719% (0.62 1.0 1.00 0.02 0.02) = 0.072% HD3 PRO 59 - HG3 PRO 31 10.000% * 0.0196% (0.17 1.0 1.00 0.02 0.02) = 0.020% HB2 GLU- 109 - HG3 PRO 31 10.000% * 0.0174% (0.15 1.0 1.00 0.02 0.02) = 0.017% Peak 3435 (2.11, 1.62, 25.80 ppm): 13 chemical-shift based assignments, quality = 0.666, support = 4.85, residual support = 169.3: * O T HB3 LEU 43 - HG LEU 43 7.692% * 94.0895% (0.69 10.0 10.00 5.14 179.96) = 94.090% kept HB3 GLU- 75 - HG LEU 43 7.692% * 2.8749% (0.68 1.0 1.00 0.61 0.02) = 2.875% kept T HB VAL 87 - HG LEU 43 7.692% * 0.9924% (0.72 1.0 10.00 0.02 0.02) = 0.992% T HB VAL 105 - HG LEU 43 7.692% * 0.8628% (0.63 1.0 10.00 0.02 0.02) = 0.863% T HB2 MET 118 - HG LEU 43 7.692% * 0.3733% (0.27 1.0 10.00 0.02 0.02) = 0.373% T HB VAL 125 - HG LEU 43 7.692% * 0.2480% (0.18 1.0 10.00 0.02 0.14) = 0.248% T HB2 LYS+ 110 - HG LEU 43 7.692% * 0.1968% (0.14 1.0 10.00 0.02 0.11) = 0.197% HB2 GLU- 56 - HG LEU 43 7.692% * 0.0986% (0.72 1.0 1.00 0.02 0.02) = 0.099% HG2 PRO 112 - HG LEU 43 7.692% * 0.0863% (0.63 1.0 1.00 0.02 0.02) = 0.086% HG2 GLU- 45 - HG LEU 43 7.692% * 0.0683% (0.50 1.0 1.00 0.02 0.02) = 0.068% HB VAL 65 - HG LEU 43 7.692% * 0.0563% (0.41 1.0 1.00 0.02 0.02) = 0.056% HB2 ASP- 28 - HG LEU 43 7.692% * 0.0373% (0.27 1.0 1.00 0.02 0.02) = 0.037% HD3 LYS+ 110 - HG LEU 43 7.692% * 0.0153% (0.11 1.0 1.00 0.02 0.11) = 0.015% Peak 3436 (3.43, 1.62, 25.80 ppm): 5 chemical-shift based assignments, quality = 0.478, support = 2.05, residual support = 3.45: HA VAL 62 - HG LEU 43 20.000% * 32.8844% (0.65 1.84 3.21) = 32.884% kept HA VAL 80 - HG LEU 43 20.000% * 25.2826% (0.30 3.08 4.17) = 25.283% kept * HA VAL 40 - HG LEU 43 20.000% * 19.8334% (0.33 2.22 4.76) = 19.833% kept HA ILE 48 - HG LEU 43 20.000% * 16.1988% (0.72 0.82 1.60) = 16.199% kept HD3 PRO 31 - HG LEU 43 20.000% * 5.8008% (0.13 1.66 2.32) = 5.801% kept Peak 3437 (4.98, 0.45, 25.58 ppm): 10 chemical-shift based assignments, quality = 0.623, support = 2.93, residual support = 24.0: HA SER 69 - QD2 LEU 74 10.000% * 56.2087% (0.71 4.02 41.97) = 56.209% kept HA MET 97 - QD2 LEU 74 10.000% * 19.6176% (0.81 1.24 1.03) = 19.618% kept * HA ILE 68 - QD2 LEU 74 10.000% * 14.4582% (0.29 2.53 1.08) = 14.458% kept HA SER 69 - QD2 LEU 43 10.000% * 3.8160% (0.25 0.78 1.67) = 3.816% kept HA PRO 31 - QD2 LEU 74 10.000% * 3.5874% (0.35 0.52 0.02) = 3.587% kept HA ILE 68 - QD2 LEU 43 10.000% * 1.6664% (0.10 0.84 0.61) = 1.666% kept HA HIS+ 98 - QD2 LEU 74 10.000% * 0.4553% (0.24 0.10 0.02) = 0.455% HA MET 97 - QD2 LEU 43 10.000% * 0.1102% (0.28 0.02 0.02) = 0.110% HA PRO 31 - QD2 LEU 43 10.000% * 0.0479% (0.12 0.02 2.32) = 0.048% HA HIS+ 98 - QD2 LEU 43 10.000% * 0.0324% (0.08 0.02 0.02) = 0.032% Peak 3439 (3.94, 0.45, 25.58 ppm): 6 chemical-shift based assignments, quality = 0.839, support = 5.55, residual support = 158.2: * T HA LEU 74 - QD2 LEU 74 16.667% * 99.4551% (0.84 10.00 5.58 159.05) = 99.455% kept T HA LEU 74 - QD2 LEU 43 16.667% * 0.3458% (0.29 10.00 0.02 1.31) = 0.346% HA1 GLY 114 - QD2 LEU 74 16.667% * 0.0949% (0.81 1.00 0.02 0.02) = 0.095% HB THR 96 - QD2 LEU 74 16.667% * 0.0528% (0.45 1.00 0.02 0.02) = 0.053% HA1 GLY 114 - QD2 LEU 43 16.667% * 0.0330% (0.28 1.00 0.02 0.02) = 0.033% HB THR 96 - QD2 LEU 43 16.667% * 0.0184% (0.16 1.00 0.02 0.02) = 0.018% Peak 3440 (2.28, 0.45, 25.58 ppm): 20 chemical-shift based assignments, quality = 0.64, support = 2.24, residual support = 16.1: HG3 GLU- 75 - QD2 LEU 74 5.000% * 38.7433% (0.68 3.14 27.89) = 38.743% kept HB2 LYS+ 44 - QD2 LEU 43 5.000% * 18.1698% (0.28 3.58 27.85) = 18.170% kept HG2 PRO 112 - QD2 LEU 74 5.000% * 17.2151% (0.81 1.17 0.48) = 17.215% kept HB3 PRO 112 - QD2 LEU 74 5.000% * 12.4767% (0.79 0.87 0.48) = 12.477% kept HB2 LYS+ 44 - QD2 LEU 74 5.000% * 9.3924% (0.81 0.64 0.61) = 9.392% kept HB VAL 80 - QD2 LEU 43 5.000% * 1.7001% (0.21 0.44 4.17) = 1.700% kept HB VAL 80 - QD2 LEU 74 5.000% * 1.1130% (0.62 0.10 0.02) = 1.113% kept HB3 LYS+ 117 - QD2 LEU 74 5.000% * 0.2470% (0.68 0.02 1.02) = 0.247% HG3 GLU- 54 - QD2 LEU 74 5.000% * 0.1158% (0.32 0.02 0.02) = 0.116% HB3 PRO 116 - QD2 LEU 74 5.000% * 0.1158% (0.32 0.02 0.02) = 0.116% HG2 PRO 112 - QD2 LEU 43 5.000% * 0.1026% (0.28 0.02 0.02) = 0.103% HB3 PRO 112 - QD2 LEU 43 5.000% * 0.0995% (0.27 0.02 0.02) = 0.100% HG2 GLU- 64 - QD2 LEU 74 5.000% * 0.0952% (0.26 0.02 0.02) = 0.095% HG3 GLU- 107 - QD2 LEU 74 5.000% * 0.0952% (0.26 0.02 0.72) = 0.095% HB3 LYS+ 117 - QD2 LEU 43 5.000% * 0.0859% (0.24 0.02 0.02) = 0.086% HG3 GLU- 75 - QD2 LEU 43 5.000% * 0.0859% (0.24 0.02 0.02) = 0.086% HB3 PRO 116 - QD2 LEU 43 5.000% * 0.0403% (0.11 0.02 0.02) = 0.040% HG3 GLU- 54 - QD2 LEU 43 5.000% * 0.0403% (0.11 0.02 0.02) = 0.040% HG2 GLU- 64 - QD2 LEU 43 5.000% * 0.0331% (0.09 0.02 0.02) = 0.033% HG3 GLU- 107 - QD2 LEU 43 5.000% * 0.0331% (0.09 0.02 0.02) = 0.033% Peak 3441 (7.97, 3.44, 66.51 ppm): 4 chemical-shift based assignments, quality = 0.43, support = 2.41, residual support = 3.31: HN LEU 43 - HA VAL 62 25.000% * 54.8819% (0.50 2.31 3.21) = 54.882% kept * HN LEU 43 - HA VAL 40 25.000% * 31.2643% (0.19 3.48 4.76) = 31.264% kept HN LYS+ 72 - HA VAL 62 25.000% * 13.6056% (0.69 0.42 0.41) = 13.606% kept HN LYS+ 72 - HA VAL 40 25.000% * 0.2483% (0.26 0.02 0.02) = 0.248% Peak 3442 (7.88, 3.44, 66.51 ppm): 8 chemical-shift based assignments, quality = 0.713, support = 1.51, residual support = 0.85: HN LYS+ 44 - HA VAL 62 12.500% * 68.5402% (0.90 1.76 1.08) = 68.540% kept * HN LYS+ 44 - HA VAL 40 12.500% * 19.4243% (0.34 1.31 0.30) = 19.424% kept HN THR 38 - HA VAL 40 12.500% * 5.5899% (0.20 0.63 0.90) = 5.590% kept HN LEU 90 - HA VAL 40 12.500% * 4.3713% (0.36 0.28 0.02) = 4.371% kept HN LEU 90 - HA VAL 62 12.500% * 0.8254% (0.96 0.02 0.02) = 0.825% HD22 ASN 89 - HA VAL 62 12.500% * 0.5669% (0.66 0.02 0.02) = 0.567% HN THR 38 - HA VAL 62 12.500% * 0.4673% (0.54 0.02 0.02) = 0.467% HD22 ASN 89 - HA VAL 40 12.500% * 0.2147% (0.25 0.02 0.02) = 0.215% Peak 3443 (7.06, 3.45, 67.59 ppm): 2 chemical-shift based assignments, quality = 0.847, support = 0.73, residual support = 1.44: * QD TYR 83 - HA VAL 80 50.000% * 99.0438% (0.85 0.74 1.45) = 99.044% kept QE PHE 21 - HA VAL 80 50.000% * 0.9562% (0.30 0.02 0.02) = 0.956% Peak 3444 (7.66, 3.45, 67.59 ppm): 2 chemical-shift based assignments, quality = 0.976, support = 0.731, residual support = 1.44: * HN TYR 83 - HA VAL 80 50.000% * 99.3251% (0.98 0.74 1.45) = 99.325% kept HD21 ASN 89 - HA VAL 80 50.000% * 0.6749% (0.25 0.02 0.02) = 0.675% Peak 3445 (8.58, 3.45, 67.59 ppm): 4 chemical-shift based assignments, quality = 0.927, support = 3.99, residual support = 25.1: * O HN VAL 80 - HA VAL 80 25.000% * 97.7588% (0.93 10.0 4.08 25.63) = 97.759% kept HN VAL 73 - HA VAL 80 25.000% * 1.6466% (0.98 1.0 0.32 0.58) = 1.647% kept HN THR 39 - HA VAL 80 25.000% * 0.5594% (0.91 1.0 0.12 1.10) = 0.559% HN LYS+ 20 - HA VAL 80 25.000% * 0.0353% (0.34 1.0 0.02 0.02) = 0.035% Peak 3446 (6.88, 3.08, 67.44 ppm): 4 chemical-shift based assignments, quality = 0.706, support = 0.742, residual support = 2.92: * QD PHE 21 - HA VAL 47 25.000% * 44.6096% (0.81 0.93 4.77) = 44.610% kept HD21 ASN 119 - HA VAL 47 25.000% * 26.6499% (0.89 0.50 0.26) = 26.650% kept HZ PHE 21 - HA VAL 47 25.000% * 14.8072% (0.31 0.81 4.77) = 14.807% kept HD22 ASN 15 - HA VAL 47 25.000% * 13.9333% (0.44 0.53 0.11) = 13.933% kept Peak 3447 (8.36, 3.08, 67.44 ppm): 5 chemical-shift based assignments, quality = 0.753, support = 0.43, residual support = 0.18: HN LYS+ 108 - HA VAL 47 20.000% * 32.7548% (0.87 0.46 0.02) = 32.755% kept HN ALA 103 - HA VAL 47 20.000% * 32.7239% (0.69 0.58 0.51) = 32.724% kept HN GLY 71 - HA VAL 47 20.000% * 17.1090% (0.87 0.24 0.02) = 17.109% kept HN GLU- 109 - HA VAL 47 20.000% * 14.1580% (0.62 0.28 0.02) = 14.158% kept HN GLU- 50 - HA VAL 47 20.000% * 3.2543% (0.18 0.22 0.02) = 3.254% kept Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 3448 (4.56, 1.65, 26.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3449 (7.60, 1.37, 26.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3450 (7.61, 1.65, 26.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3451 (9.26, 0.91, 26.07 ppm): 1 chemical-shift based assignment, quality = 0.764, support = 2.31, residual support = 8.65: * HN ILE 100 - QD1 LEU 67 100.000% *100.0000% (0.76 2.31 8.65) = 100.000% kept Peak 3452 (4.77, 1.41, 25.08 ppm): 1 chemical-shift based assignment, quality = 0.489, support = 0.502, residual support = 0.967: HA ASN 15 - HG3 LYS+ 113 100.000% *100.0000% (0.49 0.50 0.97) = 100.000% kept Peak 3453 (8.23, 1.27, 24.84 ppm): 22 chemical-shift based assignments, quality = 0.74, support = 2.98, residual support = 27.9: * HN LYS+ 81 - HG2 LYS+ 81 4.545% * 53.5160% (0.79 4.98 51.84) = 53.516% kept HN GLU- 12 - HG2 LYS+ 81 4.545% * 7.4787% (0.73 0.75 0.24) = 7.479% kept HN LYS+ 81 - HG2 LYS+ 32 4.545% * 7.3845% (0.93 0.58 0.02) = 7.385% kept HN THR 106 - HG2 LYS+ 81 4.545% * 6.9241% (0.37 1.39 2.05) = 6.924% kept HN VAL 94 - HG2 LYS+ 81 4.545% * 6.0150% (0.43 1.03 0.28) = 6.015% kept HN LEU 67 - HG2 LYS+ 32 4.545% * 5.5370% (0.93 0.44 0.02) = 5.537% kept HN GLY 58 - HG2 LYS+ 32 4.545% * 4.9187% (0.96 0.37 0.02) = 4.919% kept HN SER 49 - HG2 LYS+ 32 4.545% * 4.2148% (0.95 0.33 0.02) = 4.215% kept HN ASP- 115 - HG2 LYS+ 81 4.545% * 1.4921% (0.31 0.36 0.02) = 1.492% kept HN VAL 105 - HG2 LYS+ 81 4.545% * 0.6317% (0.40 0.12 0.31) = 0.632% HN ALA 11 - HG2 LYS+ 81 4.545% * 0.2868% (0.28 0.08 0.02) = 0.287% HN GLU- 12 - HG2 LYS+ 32 4.545% * 0.2362% (0.87 0.02 0.02) = 0.236% HN GLY 58 - HG2 LYS+ 81 4.545% * 0.2223% (0.81 0.02 0.02) = 0.222% HN SER 49 - HG2 LYS+ 81 4.545% * 0.2184% (0.80 0.02 0.02) = 0.218% HN LEU 67 - HG2 LYS+ 81 4.545% * 0.2151% (0.79 0.02 0.02) = 0.215% HN VAL 94 - HG2 LYS+ 32 4.545% * 0.1386% (0.51 0.02 0.02) = 0.139% HN VAL 105 - HG2 LYS+ 32 4.545% * 0.1282% (0.47 0.02 0.02) = 0.128% HN THR 106 - HG2 LYS+ 32 4.545% * 0.1181% (0.43 0.02 0.02) = 0.118% HN ASP- 115 - HG2 LYS+ 32 4.545% * 0.0988% (0.36 0.02 0.02) = 0.099% HN ALA 11 - HG2 LYS+ 32 4.545% * 0.0898% (0.33 0.02 0.02) = 0.090% HN GLU- 45 - HG2 LYS+ 32 4.545% * 0.0732% (0.27 0.02 0.02) = 0.073% HN GLU- 45 - HG2 LYS+ 81 4.545% * 0.0620% (0.23 0.02 0.23) = 0.062% Peak 3454 (7.34, 1.27, 24.84 ppm): 12 chemical-shift based assignments, quality = 0.873, support = 2.45, residual support = 7.62: * QE PHE 34 - HG2 LYS+ 32 8.333% * 40.4274% (0.96 3.57 9.22) = 40.427% kept HZ PHE 34 - HG2 LYS+ 32 8.333% * 25.2637% (0.96 2.23 9.22) = 25.264% kept HZ2 TRP 51 - HG2 LYS+ 32 8.333% * 16.3420% (0.96 1.44 1.46) = 16.342% kept QD PHE 34 - HG2 LYS+ 32 8.333% * 11.6409% (0.62 1.57 9.22) = 11.641% kept HN ARG+ 84 - HG2 LYS+ 81 8.333% * 3.6115% (0.43 0.71 6.94) = 3.612% kept HZ PHE 34 - HG2 LYS+ 81 8.333% * 0.7306% (0.81 0.08 0.02) = 0.731% QE PHE 34 - HG2 LYS+ 81 8.333% * 0.7306% (0.81 0.08 0.02) = 0.731% HN VAL 47 - HG2 LYS+ 32 8.333% * 0.7066% (0.55 0.11 0.02) = 0.707% HZ2 TRP 51 - HG2 LYS+ 81 8.333% * 0.1917% (0.81 0.02 0.02) = 0.192% QD PHE 34 - HG2 LYS+ 81 8.333% * 0.1251% (0.53 0.02 0.02) = 0.125% HN ARG+ 84 - HG2 LYS+ 32 8.333% * 0.1203% (0.51 0.02 0.02) = 0.120% HN VAL 47 - HG2 LYS+ 81 8.333% * 0.1095% (0.46 0.02 0.02) = 0.110% Peak 3455 (4.48, 1.27, 24.84 ppm): 18 chemical-shift based assignments, quality = 0.912, support = 3.49, residual support = 34.8: * O HA LYS+ 32 - HG2 LYS+ 32 5.556% * 91.4944% (0.96 10.0 3.77 38.07) = 91.494% kept HA LYS+ 32 - HG2 LYS+ 81 5.556% * 3.2296% (0.81 1.0 0.83 0.02) = 3.230% kept HB THR 79 - HG2 LYS+ 81 5.556% * 1.3422% (0.31 1.0 0.92 1.01) = 1.342% kept HA CYS 123 - HG2 LYS+ 81 5.556% * 0.9366% (0.59 1.0 0.33 0.02) = 0.937% HA SER 77 - HG2 LYS+ 81 5.556% * 0.9366% (0.59 1.0 0.33 0.02) = 0.937% HA ILE 100 - HG2 LYS+ 32 5.556% * 0.8685% (0.74 1.0 0.25 0.02) = 0.869% HA LYS+ 55 - HG2 LYS+ 32 5.556% * 0.4350% (0.17 1.0 0.54 1.22) = 0.435% HA CYS 123 - HG2 LYS+ 32 5.556% * 0.2552% (0.70 1.0 0.08 0.02) = 0.255% HA MET 126 - HG2 LYS+ 32 5.556% * 0.0846% (0.89 1.0 0.02 0.02) = 0.085% HA MET 126 - HG2 LYS+ 81 5.556% * 0.0716% (0.75 1.0 0.02 0.02) = 0.072% HA GLN 102 - HG2 LYS+ 32 5.556% * 0.0701% (0.74 1.0 0.02 1.39) = 0.070% HA SER 77 - HG2 LYS+ 32 5.556% * 0.0666% (0.70 1.0 0.02 0.02) = 0.067% HA GLN 102 - HG2 LYS+ 81 5.556% * 0.0593% (0.62 1.0 0.02 0.02) = 0.059% HA ILE 100 - HG2 LYS+ 81 5.556% * 0.0593% (0.62 1.0 0.02 0.02) = 0.059% HB THR 79 - HG2 LYS+ 32 5.556% * 0.0344% (0.36 1.0 0.02 0.02) = 0.034% HA GLU- 50 - HG2 LYS+ 32 5.556% * 0.0229% (0.24 1.0 0.02 0.02) = 0.023% HA GLU- 50 - HG2 LYS+ 81 5.556% * 0.0193% (0.20 1.0 0.02 0.02) = 0.019% HA LYS+ 55 - HG2 LYS+ 81 5.556% * 0.0136% (0.14 1.0 0.02 0.02) = 0.014% Peak 3456 (3.49, 1.13, 24.84 ppm): 2 chemical-shift based assignments, quality = 0.947, support = 1.09, residual support = 5.71: HA1 GLY 30 - HG3 LYS+ 32 50.000% * 99.6399% (0.95 1.10 5.73) = 99.640% kept HA1 GLY 71 - HG3 LYS+ 32 50.000% * 0.3601% (0.19 0.02 0.02) = 0.360% Peak 3457 (3.49, 1.27, 24.84 ppm): 4 chemical-shift based assignments, quality = 0.955, support = 1.1, residual support = 5.61: HA1 GLY 30 - HG2 LYS+ 32 25.000% * 97.8862% (0.96 1.12 5.73) = 97.886% kept HA1 GLY 30 - HG2 LYS+ 81 25.000% * 1.4754% (0.81 0.02 0.02) = 1.475% kept HA1 GLY 71 - HG2 LYS+ 32 25.000% * 0.3458% (0.19 0.02 0.02) = 0.346% HA1 GLY 71 - HG2 LYS+ 81 25.000% * 0.2926% (0.16 0.02 0.02) = 0.293% Peak 3458 (3.18, 0.93, 24.69 ppm): 4 chemical-shift based assignments, quality = 0.238, support = 0.769, residual support = 0.983: * T HD3 ARG+ 84 - QD1 LEU 17 25.000% * 55.4874% (0.21 10.00 0.95 1.76) = 55.487% kept T HD3 ARG+ 84 - QG2 VAL 40 25.000% * 42.2859% (0.27 10.00 0.56 0.02) = 42.286% kept T HB3 PHE 34 - QG2 VAL 40 25.000% * 1.2536% (0.23 10.00 0.02 0.02) = 1.254% kept T HB3 PHE 34 - QD1 LEU 17 25.000% * 0.9730% (0.18 10.00 0.02 0.02) = 0.973% Peak 3459 (8.99, 0.93, 24.65 ppm): 4 chemical-shift based assignments, quality = 0.0762, support = 2.44, residual support = 11.8: HN ILE 19 - QD1 LEU 17 25.000% * 84.9896% (0.08 2.71 13.76) = 84.990% kept HN MET 97 - QD1 LEU 17 25.000% * 13.1587% (0.03 1.07 0.94) = 13.159% kept HN ILE 19 - QG2 VAL 40 25.000% * 1.3291% (0.17 0.02 0.02) = 1.329% kept HN MET 97 - QG2 VAL 40 25.000% * 0.5227% (0.07 0.02 0.02) = 0.523% Reference assignment not found: HN LEU 17 - QD1 LEU 17 Peak 3460 (8.61, 1.03, 24.99 ppm): 4 chemical-shift based assignments, quality = 0.679, support = 3.69, residual support = 31.4: * HN LYS+ 20 - HG3 LYS+ 20 25.000% * 91.0144% (0.71 4.00 34.46) = 91.014% kept HN SER 85 - HG3 LYS+ 20 25.000% * 4.6963% (0.44 0.33 0.02) = 4.696% kept HN THR 39 - HG3 LYS+ 20 25.000% * 4.1926% (0.17 0.76 0.50) = 4.193% kept HN VAL 80 - HG3 LYS+ 20 25.000% * 0.0967% (0.15 0.02 0.02) = 0.097% Peak 3461 (7.83, 1.28, 25.06 ppm): 6 chemical-shift based assignments, quality = 0.221, support = 0.602, residual support = 1.01: HN LYS+ 55 - HG2 LYS+ 32 16.667% * 82.5661% (0.22 0.72 1.22) = 82.566% kept HN LYS+ 55 - HG2 LYS+ 81 16.667% * 6.1270% (0.12 0.10 0.02) = 6.127% kept HN LYS+ 63 - HG2 LYS+ 32 16.667% * 4.7432% (0.46 0.02 0.02) = 4.743% kept HN ALA 93 - HG2 LYS+ 81 16.667% * 3.1833% (0.05 0.13 0.11) = 3.183% kept HN LYS+ 63 - HG2 LYS+ 81 16.667% * 2.4417% (0.24 0.02 0.02) = 2.442% kept HN ALA 93 - HG2 LYS+ 32 16.667% * 0.9387% (0.09 0.02 0.02) = 0.939% Peak 3462 (4.78, 1.28, 25.06 ppm): 4 chemical-shift based assignments, quality = 0.246, support = 0.569, residual support = 0.752: HA ASN 15 - HG2 LYS+ 81 25.000% * 91.5724% (0.24 0.62 0.82) = 91.572% kept HA ASN 15 - HG2 LYS+ 32 25.000% * 5.7427% (0.46 0.02 0.02) = 5.743% kept HA LEU 23 - HG2 LYS+ 32 25.000% * 1.7725% (0.14 0.02 0.02) = 1.772% kept HA LEU 23 - HG2 LYS+ 81 25.000% * 0.9124% (0.07 0.02 0.29) = 0.912% Peak 3463 (4.51, 1.40, 25.25 ppm): 6 chemical-shift based assignments, quality = 0.104, support = 0.406, residual support = 0.786: HA LYS+ 55 - HG3 LYS+ 113 16.667% * 88.3993% (0.11 0.46 0.89) = 88.399% kept HB THR 46 - HG3 LYS+ 113 16.667% * 4.0148% (0.11 0.02 0.02) = 4.015% kept HB THR 79 - HG3 LYS+ 113 16.667% * 2.9742% (0.08 0.02 0.02) = 2.974% kept HA CYS 123 - HG3 LYS+ 113 16.667% * 1.5372% (0.04 0.02 0.02) = 1.537% kept HA ALA 103 - HG3 LYS+ 113 16.667% * 1.5372% (0.04 0.02 0.02) = 1.537% kept HA SER 77 - HG3 LYS+ 113 16.667% * 1.5372% (0.04 0.02 0.02) = 1.537% kept Not enough quality. Peak unassigned. Peak 3464 (4.10, 1.40, 25.25 ppm): 6 chemical-shift based assignments, quality = 0.111, support = 0.629, residual support = 1.18: HA LYS+ 63 - HG3 LYS+ 113 16.667% * 90.6798% (0.11 0.69 1.30) = 90.680% kept HA ALA 70 - HG3 LYS+ 113 16.667% * 2.5910% (0.11 0.02 0.02) = 2.591% kept HA THR 24 - HG3 LYS+ 113 16.667% * 2.3707% (0.10 0.02 0.02) = 2.371% kept HB3 SER 49 - HG3 LYS+ 113 16.667% * 2.0311% (0.09 0.02 0.02) = 2.031% kept HA THR 46 - HG3 LYS+ 113 16.667% * 1.9195% (0.08 0.02 0.02) = 1.919% kept HA ARG+ 53 - HG3 LYS+ 113 16.667% * 0.4079% (0.02 0.02 0.02) = 0.408% Not enough quality. Peak unassigned. Peak 3465 (2.23, 1.46, 27.63 ppm): 30 chemical-shift based assignments, quality = 0.857, support = 4.51, residual support = 115.2: O HB2 PRO 52 - HG3 PRO 52 3.333% * 95.9958% (0.89 10.0 4.63 119.56) = 95.996% kept HA1 GLY 58 - HG2 PRO 59 3.333% * 2.2424% (0.14 1.0 2.97 17.89) = 2.242% kept HG2 PRO 112 - HG3 PRO 52 3.333% * 0.6223% (0.94 1.0 0.12 0.02) = 0.622% HG3 GLU- 109 - HG3 PRO 52 3.333% * 0.0960% (0.89 1.0 0.02 0.02) = 0.096% HB3 GLU- 45 - HG3 PRO 52 3.333% * 0.0937% (0.87 1.0 0.02 0.02) = 0.094% HG3 GLN 102 - HG3 PRO 52 3.333% * 0.0880% (0.82 1.0 0.02 0.02) = 0.088% HG3 GLN 16 - HG3 PRO 52 3.333% * 0.0880% (0.82 1.0 0.02 0.12) = 0.088% HG3 GLU- 10 - HG3 PRO 52 3.333% * 0.0848% (0.79 1.0 0.02 0.02) = 0.085% HG3 GLU- 18 - HG3 PRO 52 3.333% * 0.0776% (0.72 1.0 0.02 0.02) = 0.078% HB2 GLU- 50 - HG3 PRO 52 3.333% * 0.0697% (0.65 1.0 0.02 0.30) = 0.070% HB3 ASN 15 - HG3 PRO 52 3.333% * 0.0697% (0.65 1.0 0.02 0.02) = 0.070% HA1 GLY 58 - HG3 PRO 52 3.333% * 0.0575% (0.53 1.0 0.02 0.02) = 0.057% HG3 MET 97 - HG3 PRO 52 3.333% * 0.0575% (0.53 1.0 0.02 0.02) = 0.057% HG3 MET 126 - HG3 PRO 52 3.333% * 0.0455% (0.42 1.0 0.02 0.02) = 0.045% HG2 PRO 112 - HG2 PRO 59 3.333% * 0.0266% (0.25 1.0 0.02 0.02) = 0.027% HG3 GLU- 107 - HG3 PRO 52 3.333% * 0.0253% (0.23 1.0 0.02 0.02) = 0.025% HB2 PRO 52 - HG2 PRO 59 3.333% * 0.0252% (0.23 1.0 0.02 0.02) = 0.025% HG3 GLU- 109 - HG2 PRO 59 3.333% * 0.0252% (0.23 1.0 0.02 0.02) = 0.025% HB3 GLU- 45 - HG2 PRO 59 3.333% * 0.0246% (0.23 1.0 0.02 0.02) = 0.025% HG3 GLN 102 - HG2 PRO 59 3.333% * 0.0231% (0.21 1.0 0.02 0.02) = 0.023% HG3 GLN 16 - HG2 PRO 59 3.333% * 0.0231% (0.21 1.0 0.02 0.55) = 0.023% HG3 GLU- 10 - HG2 PRO 59 3.333% * 0.0223% (0.21 1.0 0.02 0.02) = 0.022% HG3 GLU- 18 - HG2 PRO 59 3.333% * 0.0204% (0.19 1.0 0.02 0.02) = 0.020% HG3 GLU- 54 - HG3 PRO 52 3.333% * 0.0201% (0.19 1.0 0.02 8.58) = 0.020% HB2 GLU- 50 - HG2 PRO 59 3.333% * 0.0183% (0.17 1.0 0.02 0.81) = 0.018% HB3 ASN 15 - HG2 PRO 59 3.333% * 0.0183% (0.17 1.0 0.02 0.02) = 0.018% HG3 MET 97 - HG2 PRO 59 3.333% * 0.0151% (0.14 1.0 0.02 0.02) = 0.015% HG3 MET 126 - HG2 PRO 59 3.333% * 0.0120% (0.11 1.0 0.02 0.02) = 0.012% HG3 GLU- 107 - HG2 PRO 59 3.333% * 0.0066% (0.06 1.0 0.02 0.02) = 0.007% HG3 GLU- 54 - HG2 PRO 59 3.333% * 0.0053% (0.05 1.0 0.02 0.02) = 0.005% Peak 3466 (2.23, 1.68, 27.63 ppm): 28 chemical-shift based assignments, quality = 0.718, support = 5.13, residual support = 101.4: O HB2 PRO 52 - HG2 PRO 52 3.571% * 84.8147% (0.78 10.0 1.00 6.01 119.56) = 84.815% kept T HG3 GLN 16 - HG2 PRO 52 3.571% * 6.3128% (0.57 1.0 10.00 0.20 0.12) = 6.313% kept HB2 GLU- 50 - HG2 PRO 52 3.571% * 3.0750% (0.65 1.0 1.00 0.87 0.30) = 3.075% kept T HG3 GLN 102 - HG2 PRO 52 3.571% * 0.8203% (0.76 1.0 10.00 0.02 0.02) = 0.820% T HG3 GLN 102 - HG3 ARG+ 84 3.571% * 0.6564% (0.60 1.0 10.00 0.02 0.02) = 0.656% T HG3 MET 97 - HG2 PRO 52 3.571% * 0.6173% (0.57 1.0 10.00 0.02 0.02) = 0.617% HG2 PRO 112 - HG2 PRO 52 3.571% * 0.5217% (0.78 1.0 1.00 0.12 0.02) = 0.522% T HG3 MET 126 - HG2 PRO 52 3.571% * 0.5156% (0.47 1.0 10.00 0.02 0.02) = 0.516% T HG3 GLN 16 - HG3 ARG+ 84 3.571% * 0.4939% (0.45 1.0 10.00 0.02 0.02) = 0.494% T HG3 MET 97 - HG3 ARG+ 84 3.571% * 0.4939% (0.45 1.0 10.00 0.02 0.02) = 0.494% T HG3 MET 126 - HG3 ARG+ 84 3.571% * 0.4125% (0.38 1.0 10.00 0.02 0.02) = 0.413% HG2 PRO 112 - HG3 ARG+ 84 3.571% * 0.4084% (0.63 1.0 1.00 0.12 0.02) = 0.408% HG3 GLU- 109 - HG2 PRO 52 3.571% * 0.0848% (0.78 1.0 1.00 0.02 0.02) = 0.085% HG3 GLU- 18 - HG2 PRO 52 3.571% * 0.0762% (0.70 1.0 1.00 0.02 0.02) = 0.076% HB3 GLU- 45 - HG2 PRO 52 3.571% * 0.0681% (0.63 1.0 1.00 0.02 0.02) = 0.068% HG3 GLU- 109 - HG3 ARG+ 84 3.571% * 0.0679% (0.62 1.0 1.00 0.02 0.02) = 0.068% HB2 PRO 52 - HG3 ARG+ 84 3.571% * 0.0679% (0.62 1.0 1.00 0.02 0.02) = 0.068% HA1 GLY 58 - HG2 PRO 52 3.571% * 0.0617% (0.57 1.0 1.00 0.02 0.02) = 0.062% HG3 GLU- 18 - HG3 ARG+ 84 3.571% * 0.0610% (0.56 1.0 1.00 0.02 3.05) = 0.061% HG3 GLU- 10 - HG2 PRO 52 3.571% * 0.0584% (0.54 1.0 1.00 0.02 0.02) = 0.058% HB2 GLU- 50 - HG3 ARG+ 84 3.571% * 0.0568% (0.52 1.0 1.00 0.02 0.02) = 0.057% HB3 GLU- 45 - HG3 ARG+ 84 3.571% * 0.0545% (0.50 1.0 1.00 0.02 0.02) = 0.054% HA1 GLY 58 - HG3 ARG+ 84 3.571% * 0.0494% (0.45 1.0 1.00 0.02 0.02) = 0.049% HG3 GLU- 10 - HG3 ARG+ 84 3.571% * 0.0467% (0.43 1.0 1.00 0.02 0.02) = 0.047% HB3 ASN 15 - HG2 PRO 52 3.571% * 0.0447% (0.41 1.0 1.00 0.02 0.02) = 0.045% HB3 ASN 15 - HG3 ARG+ 84 3.571% * 0.0358% (0.33 1.0 1.00 0.02 0.02) = 0.036% HG3 GLU- 107 - HG2 PRO 52 3.571% * 0.0131% (0.12 1.0 1.00 0.02 0.02) = 0.013% HG3 GLU- 107 - HG3 ARG+ 84 3.571% * 0.0105% (0.10 1.0 1.00 0.02 0.02) = 0.010% Peak 3467 (0.28, 1.63, 27.60 ppm): 4 chemical-shift based assignments, quality = 0.6, support = 0.573, residual support = 0.881: T QD2 LEU 23 - HG12 ILE 101 25.000% * 52.3003% (0.82 10.00 0.45 0.51) = 52.300% kept T QG1 VAL 122 - HG3 ARG+ 84 25.000% * 40.1534% (0.34 10.00 0.83 1.53) = 40.153% kept T QD2 LEU 23 - HG3 ARG+ 84 25.000% * 5.3846% (0.37 10.00 0.10 0.02) = 5.385% kept T QG1 VAL 122 - HG12 ILE 101 25.000% * 2.1616% (0.76 10.00 0.02 0.02) = 2.162% kept Peak 3470 (3.99, 0.68, 28.31 ppm): 4 chemical-shift based assignments, quality = 0.8, support = 2.52, residual support = 32.0: * T HB THR 95 - HG12 ILE 19 25.000% * 93.8061% (0.80 10.00 2.63 34.03) = 93.806% kept HA1 GLY 92 - HG12 ILE 19 25.000% * 5.0039% (0.86 1.00 0.99 0.71) = 5.004% kept HA THR 38 - HG12 ILE 19 25.000% * 1.1588% (0.62 1.00 0.32 0.02) = 1.159% kept HA VAL 13 - HG12 ILE 19 25.000% * 0.0312% (0.27 1.00 0.02 0.02) = 0.031% Peak 3471 (4.87, 0.68, 28.31 ppm): 3 chemical-shift based assignments, quality = 0.811, support = 5.59, residual support = 93.2: * O HA ILE 19 - HG12 ILE 19 33.333% * 96.1970% (0.83 10.0 5.74 96.68) = 96.197% kept HA THR 96 - HG12 ILE 19 33.333% * 3.7357% (0.33 1.0 1.98 5.73) = 3.736% kept HA ASP- 115 - HG12 ILE 19 33.333% * 0.0673% (0.58 1.0 0.02 0.02) = 0.067% Peak 3472 (0.92, 0.73, 28.28 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3473 (1.39, 0.73, 28.28 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3475 (4.17, 1.38, 28.44 ppm): 7 chemical-shift based assignments, quality = 0.656, support = 1.32, residual support = 1.42: HB3 SER 49 - HG13 ILE 68 14.286% * 28.9671% (0.71 1.52 1.95) = 28.967% kept * HA VAL 73 - HG13 ILE 68 14.286% * 24.9965% (0.65 1.43 1.95) = 24.996% kept HA VAL 105 - HG13 ILE 68 14.286% * 21.0266% (0.65 1.20 0.60) = 21.027% kept HA VAL 65 - HG13 ILE 68 14.286% * 20.4540% (0.60 1.27 1.17) = 20.454% kept HB THR 106 - HG13 ILE 68 14.286% * 4.2892% (0.65 0.25 0.02) = 4.289% kept HA VAL 87 - HG13 ILE 68 14.286% * 0.1961% (0.37 0.02 0.02) = 0.196% HB2 SER 88 - HG13 ILE 68 14.286% * 0.0706% (0.13 0.02 0.02) = 0.071% Peak 3476 (4.48, 1.39, 28.01 ppm): 18 chemical-shift based assignments, quality = 0.777, support = 5.2, residual support = 66.5: * O HA ILE 100 - HG13 ILE 100 5.556% * 97.2867% (0.78 10.0 5.33 68.30) = 97.287% kept HA GLN 102 - HG13 ILE 100 5.556% * 2.0805% (0.78 1.0 0.43 0.14) = 2.080% kept HA MET 126 - HG13 ILE 100 5.556% * 0.1052% (0.85 1.0 0.02 0.02) = 0.105% HA LYS+ 32 - HG13 ILE 100 5.556% * 0.1017% (0.82 1.0 0.02 0.02) = 0.102% HA SER 77 - HG13 ILE 100 5.556% * 0.0554% (0.45 1.0 0.02 0.02) = 0.055% HA CYS 123 - HG13 ILE 100 5.556% * 0.0554% (0.45 1.0 0.02 0.02) = 0.055% HA GLU- 50 - HG13 ILE 100 5.556% * 0.0433% (0.35 1.0 0.02 1.00) = 0.043% HA MET 126 - HG13 ILE 68 5.556% * 0.0386% (0.31 1.0 0.02 0.02) = 0.039% HA LYS+ 32 - HG13 ILE 68 5.556% * 0.0373% (0.30 1.0 0.02 0.02) = 0.037% HA GLN 102 - HG13 ILE 68 5.556% * 0.0357% (0.29 1.0 0.02 0.02) = 0.036% HA ILE 100 - HG13 ILE 68 5.556% * 0.0357% (0.29 1.0 0.02 0.93) = 0.036% HA MET 118 - HG13 ILE 100 5.556% * 0.0263% (0.21 1.0 0.02 0.02) = 0.026% HB THR 79 - HG13 ILE 100 5.556% * 0.0235% (0.19 1.0 0.02 0.02) = 0.023% HA SER 77 - HG13 ILE 68 5.556% * 0.0203% (0.16 1.0 0.02 0.02) = 0.020% HA CYS 123 - HG13 ILE 68 5.556% * 0.0203% (0.16 1.0 0.02 0.02) = 0.020% HA GLU- 50 - HG13 ILE 68 5.556% * 0.0159% (0.13 1.0 0.02 0.02) = 0.016% HA MET 118 - HG13 ILE 68 5.556% * 0.0096% (0.08 1.0 0.02 0.02) = 0.010% HB THR 79 - HG13 ILE 68 5.556% * 0.0086% (0.07 1.0 0.02 0.02) = 0.009% Peak 3477 (3.29, 1.68, 27.61 ppm): 8 chemical-shift based assignments, quality = 0.706, support = 4.78, residual support = 111.2: O T HD2 PRO 52 - HG2 PRO 52 12.500% * 91.5084% (0.73 10.0 10.00 4.99 119.56) = 91.508% kept HD3 ARG+ 53 - HG2 PRO 52 12.500% * 7.6843% (0.44 1.0 1.00 2.81 23.27) = 7.684% kept HD3 ARG+ 22 - HG3 ARG+ 84 12.500% * 0.4628% (0.58 1.0 1.00 0.13 0.02) = 0.463% HD3 ARG+ 22 - HG2 PRO 52 12.500% * 0.0868% (0.70 1.0 1.00 0.02 0.02) = 0.087% HD2 PRO 52 - HG3 ARG+ 84 12.500% * 0.0764% (0.61 1.0 1.00 0.02 0.02) = 0.076% HE3 LYS+ 63 - HG2 PRO 52 12.500% * 0.0739% (0.59 1.0 1.00 0.02 1.23) = 0.074% HE3 LYS+ 63 - HG3 ARG+ 84 12.500% * 0.0617% (0.50 1.0 1.00 0.02 0.02) = 0.062% HD3 ARG+ 53 - HG3 ARG+ 84 12.500% * 0.0457% (0.37 1.0 1.00 0.02 0.02) = 0.046% Peak 3479 (3.13, 1.56, 27.31 ppm): 5 chemical-shift based assignments, quality = 0.195, support = 0.659, residual support = 0.754: HB3 HIS+ 98 - HG LEU 17 20.000% * 90.0091% (0.19 0.73 0.84) = 90.009% kept HE3 LYS+ 108 - HG LEU 17 20.000% * 3.1116% (0.24 0.02 0.02) = 3.112% kept HE3 LYS+ 117 - HG LEU 17 20.000% * 3.1116% (0.24 0.02 0.02) = 3.112% kept HE3 LYS+ 72 - HG LEU 17 20.000% * 3.0500% (0.24 0.02 0.02) = 3.050% kept HB3 ASP- 25 - HG LEU 17 20.000% * 0.7178% (0.06 0.02 0.02) = 0.718% Not enough quality. Peak unassigned. Peak 3480 (4.55, 1.56, 27.31 ppm): 4 chemical-shift based assignments, quality = 0.248, support = 4.3, residual support = 88.4: * O HA LEU 17 - HG LEU 17 25.000% * 99.8765% (0.25 10.0 4.31 88.51) = 99.877% kept HA ALA 103 - HG LEU 17 25.000% * 0.0807% (0.20 1.0 0.02 0.02) = 0.081% HA LYS+ 78 - HG LEU 17 25.000% * 0.0251% (0.06 1.0 0.02 0.02) = 0.025% HB THR 46 - HG LEU 17 25.000% * 0.0176% (0.04 1.0 0.02 0.02) = 0.018% Peak 3482 (3.50, 0.81, 27.87 ppm): 3 chemical-shift based assignments, quality = 0.296, support = 0.421, residual support = 0.704: HA LYS+ 44 - QD2 LEU 67 33.333% * 87.1774% (0.25 0.48 0.80) = 87.177% kept HA1 GLY 30 - QD2 LEU 67 33.333% * 10.5755% (0.72 0.02 0.02) = 10.576% kept HA1 GLY 26 - QD2 LEU 67 33.333% * 2.2471% (0.15 0.02 0.02) = 2.247% kept Reference assignment not found: HA LYS+ 44 - HD3 LYS+ 44 Peak 3483 (5.57, 0.81, 27.87 ppm): 1 chemical-shift based assignment, quality = 0.959, support = 5.97, residual support = 115.0: * T HA LEU 67 - QD2 LEU 67 100.000% *100.0000% (0.96 10.00 5.97 115.02) = 100.000% kept Peak 3484 (7.05, 0.81, 27.87 ppm): 2 chemical-shift based assignments, quality = 0.803, support = 1.4, residual support = 2.59: * QE PHE 21 - QD2 LEU 67 50.000% * 53.9432% (0.64 1.76 4.28) = 53.943% kept QD TYR 83 - QD2 LEU 67 50.000% * 46.0568% (0.99 0.98 0.61) = 46.057% kept Peak 3485 (7.93, 0.81, 27.87 ppm): 1 chemical-shift based assignment, quality = 0.373, support = 0.21, residual support = 0.21: HN LYS+ 72 - QD2 LEU 67 100.000% *100.0000% (0.37 0.21 0.21) = 100.000% kept Reference assignment not found: HN LYS+ 44 - HD3 LYS+ 44 Not enough support, support cutoff is 0.27 Peak unassigned. Peak 3486 (8.27, 0.81, 27.87 ppm): 7 chemical-shift based assignments, quality = 0.421, support = 2.99, residual support = 67.4: * HN LEU 67 - QD2 LEU 67 14.286% * 58.5803% (0.20 4.90 115.02) = 58.580% kept HN THR 106 - QD2 LEU 67 14.286% * 14.0100% (0.72 0.32 0.02) = 14.010% kept HN ASP- 115 - QD2 LEU 67 14.286% * 13.2173% (0.80 0.27 0.02) = 13.217% kept HN ASN 89 - QD2 LEU 67 14.286% * 13.1633% (0.76 0.28 0.13) = 13.163% kept HN ASP- 28 - QD2 LEU 67 14.286% * 0.4537% (0.37 0.02 0.02) = 0.454% HN GLU- 12 - QD2 LEU 67 14.286% * 0.3361% (0.28 0.02 0.02) = 0.336% HN LYS+ 81 - QD2 LEU 67 14.286% * 0.2392% (0.20 0.02 0.02) = 0.239% Peak 3487 (4.18, 0.93, 28.37 ppm): 7 chemical-shift based assignments, quality = 0.854, support = 1.89, residual support = 1.57: * T HA VAL 73 - HG12 ILE 68 14.286% * 33.2211% (0.93 10.00 2.33 1.95) = 33.221% kept T HA VAL 65 - HG12 ILE 68 14.286% * 29.4471% (0.94 10.00 1.76 1.17) = 29.447% kept T HB3 SER 49 - HG12 ILE 68 14.286% * 26.3972% (0.84 10.00 1.78 1.95) = 26.397% kept T HA VAL 105 - HG12 ILE 68 14.286% * 10.2606% (0.46 10.00 1.26 0.60) = 10.261% kept HB THR 106 - HG12 ILE 68 14.286% * 0.6069% (0.46 1.00 0.74 0.02) = 0.607% T HA VAL 87 - HG12 ILE 68 14.286% * 0.0587% (0.16 10.00 0.02 0.02) = 0.059% HA ASP- 82 - HG12 ILE 68 14.286% * 0.0084% (0.23 1.00 0.02 0.02) = 0.008% Peak 3488 (8.87, 0.93, 28.37 ppm): 2 chemical-shift based assignments, quality = 0.833, support = 6.08, residual support = 81.7: * HN ILE 68 - HG12 ILE 68 50.000% * 88.0459% (0.84 6.77 92.71) = 88.046% kept HN ASP- 36 - HG12 ILE 68 50.000% * 11.9541% (0.75 1.03 0.69) = 11.954% kept Peak 3489 (8.87, 1.38, 28.37 ppm): 2 chemical-shift based assignments, quality = 0.797, support = 5.39, residual support = 81.3: * HN ILE 68 - HG13 ILE 68 50.000% * 87.6112% (0.81 6.02 92.71) = 87.611% kept HN ASP- 36 - HG13 ILE 68 50.000% * 12.3888% (0.72 0.95 0.69) = 12.389% kept Peak 3490 (9.25, 1.40, 27.95 ppm): 2 chemical-shift based assignments, quality = 0.874, support = 4.04, residual support = 65.2: * HN ILE 100 - HG13 ILE 100 50.000% * 95.3643% (0.91 4.18 68.30) = 95.364% kept HN ILE 100 - HG13 ILE 68 50.000% * 4.6357% (0.17 1.05 0.93) = 4.636% kept Peak 3491 (7.89, 1.63, 26.98 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HN LEU 90 - HG LEU 90 Peak unassigned. Peak 3492 (9.09, 1.78, 27.37 ppm): 4 chemical-shift based assignments, quality = 0.596, support = 4.64, residual support = 27.3: * HN GLU- 54 - HG3 ARG+ 53 25.000% * 85.5406% (0.60 5.34 31.86) = 85.541% kept HN LYS+ 66 - HG3 ARG+ 53 25.000% * 7.8468% (0.72 0.41 0.02) = 7.847% kept HN GLU- 54 - HG2 ARG+ 84 25.000% * 6.3676% (0.39 0.62 0.02) = 6.368% kept HN LYS+ 66 - HG2 ARG+ 84 25.000% * 0.2449% (0.46 0.02 0.02) = 0.245% Peak 3495 (7.33, 1.66, 27.63 ppm): 18 chemical-shift based assignments, quality = 0.753, support = 2.87, residual support = 31.0: * HN ARG+ 84 - HG3 ARG+ 84 5.556% * 36.4447% (0.68 4.93 78.16) = 36.445% kept QE PHE 34 - HG3 ARG+ 84 5.556% * 21.7364% (0.92 2.18 2.40) = 21.736% kept HZ PHE 34 - HG3 ARG+ 84 5.556% * 13.0098% (0.92 1.30 2.40) = 13.010% kept QD PHE 34 - HG3 ARG+ 84 5.556% * 11.0348% (0.78 1.30 2.40) = 11.035% kept HZ2 TRP 51 - HG3 ARG+ 84 5.556% * 8.6242% (0.92 0.86 1.04) = 8.624% kept HZ2 TRP 51 - HG2 PRO 52 5.556% * 7.8374% (0.27 2.64 16.86) = 7.837% kept HN VAL 47 - HG3 ARG+ 84 5.556% * 0.7353% (0.71 0.09 0.02) = 0.735% QE PHE 34 - HG2 PRO 52 5.556% * 0.0593% (0.27 0.02 0.02) = 0.059% HZ PHE 34 - HG2 PRO 52 5.556% * 0.0593% (0.27 0.02 0.02) = 0.059% HZ2 TRP 51 - HG12 ILE 101 5.556% * 0.0592% (0.27 0.02 3.22) = 0.059% HZ PHE 34 - HG12 ILE 101 5.556% * 0.0592% (0.27 0.02 0.41) = 0.059% QE PHE 34 - HG12 ILE 101 5.556% * 0.0592% (0.27 0.02 0.41) = 0.059% QD PHE 34 - HG2 PRO 52 5.556% * 0.0505% (0.23 0.02 0.02) = 0.051% QD PHE 34 - HG12 ILE 101 5.556% * 0.0505% (0.23 0.02 0.41) = 0.050% HN VAL 47 - HG2 PRO 52 5.556% * 0.0462% (0.21 0.02 0.02) = 0.046% HN VAL 47 - HG12 ILE 101 5.556% * 0.0462% (0.21 0.02 0.02) = 0.046% HN ARG+ 84 - HG2 PRO 52 5.556% * 0.0439% (0.20 0.02 0.02) = 0.044% HN ARG+ 84 - HG12 ILE 101 5.556% * 0.0439% (0.20 0.02 0.02) = 0.044% Peak 3496 (9.31, 1.57, 26.98 ppm): 2 chemical-shift based assignments, quality = 0.778, support = 2.16, residual support = 14.9: HN ILE 29 - HG LEU 17 50.000% * 86.6020% (0.84 2.38 17.13) = 86.602% kept HN LEU 23 - HG LEU 17 50.000% * 13.3980% (0.41 0.75 0.13) = 13.398% kept Reference assignment not found: HN ILE 29 - HG12 ILE 29 Peak 3499 (8.50, 1.58, 27.31 ppm): 3 chemical-shift based assignments, quality = 0.103, support = 4.89, residual support = 31.2: * HN GLU- 18 - HG LEU 17 33.333% * 94.3059% (0.10 5.16 33.07) = 94.306% kept HN LYS+ 113 - HG LEU 17 33.333% * 5.1670% (0.08 0.37 0.02) = 5.167% kept HN GLU- 10 - HG LEU 17 33.333% * 0.5272% (0.15 0.02 0.02) = 0.527% Peak 3500 (8.99, 1.58, 27.31 ppm): 2 chemical-shift based assignments, quality = 0.121, support = 2.5, residual support = 12.1: HN ILE 19 - HG LEU 17 50.000% * 86.6504% (0.13 2.72 13.76) = 86.650% kept HN MET 97 - HG LEU 17 50.000% * 13.3496% (0.05 1.07 0.94) = 13.350% kept Reference assignment not found: HN LEU 17 - HG LEU 17 Peak 3501 (9.08, 2.10, 28.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3502 (9.08, 2.01, 28.93 ppm): 4 chemical-shift based assignments, quality = 0.749, support = 2.77, residual support = 18.3: * O HN GLU- 54 - HB3 GLU- 54 25.000% * 98.9423% (0.75 10.0 2.80 18.51) = 98.942% kept HN LYS+ 66 - HB3 GLU- 54 25.000% * 1.0420% (0.81 1.0 0.20 0.02) = 1.042% kept HN LYS+ 66 - HB2 GLU- 45 25.000% * 0.0081% (0.06 1.0 0.02 0.02) = 0.008% HN GLU- 54 - HB2 GLU- 45 25.000% * 0.0075% (0.06 1.0 0.02 0.02) = 0.008% Peak 3503 (4.25, 2.01, 28.93 ppm): 40 chemical-shift based assignments, quality = 0.722, support = 2.24, residual support = 17.8: * O HA GLU- 54 - HB3 GLU- 54 2.500% * 96.3709% (0.75 10.0 2.32 18.51) = 96.371% kept HA GLU- 10 - HB2 GLU- 45 2.500% * 0.6847% (0.06 1.0 1.87 0.85) = 0.685% HA LYS+ 108 - HB2 GLU- 45 2.500% * 0.4722% (0.06 1.0 1.29 0.60) = 0.472% HA ALA 42 - HB2 GLU- 45 2.500% * 0.4497% (0.05 1.0 1.52 3.50) = 0.450% HA SER 49 - HB2 GLU- 45 2.500% * 0.3550% (0.04 1.0 1.34 4.72) = 0.355% HB3 SER 49 - HB2 GLU- 45 2.500% * 0.2418% (0.02 1.0 1.66 4.72) = 0.242% HA ALA 11 - HB2 GLU- 45 2.500% * 0.1628% (0.06 1.0 0.43 0.88) = 0.163% HA PRO 59 - HB3 GLU- 54 2.500% * 0.1075% (0.84 1.0 0.02 0.02) = 0.107% HA ALA 11 - HB3 GLU- 54 2.500% * 0.0992% (0.77 1.0 0.02 0.02) = 0.099% HA LYS+ 108 - HB3 GLU- 54 2.500% * 0.0964% (0.75 1.0 0.02 0.02) = 0.096% HA GLU- 10 - HB3 GLU- 54 2.500% * 0.0964% (0.75 1.0 0.02 0.02) = 0.096% HA ASN 76 - HB3 GLU- 54 2.500% * 0.0932% (0.72 1.0 0.02 0.02) = 0.093% HA GLU- 107 - HB3 GLU- 54 2.500% * 0.0898% (0.70 1.0 0.02 0.02) = 0.090% HA ASN 119 - HB3 GLU- 54 2.500% * 0.0898% (0.70 1.0 0.02 0.02) = 0.090% HA ALA 42 - HB3 GLU- 54 2.500% * 0.0780% (0.61 1.0 0.02 0.02) = 0.078% HA SER 49 - HB3 GLU- 54 2.500% * 0.0695% (0.54 1.0 0.02 0.02) = 0.070% HA GLU- 109 - HB2 GLU- 45 2.500% * 0.0626% (0.03 1.0 0.34 0.02) = 0.063% HA GLU- 75 - HB3 GLU- 54 2.500% * 0.0565% (0.44 1.0 0.02 0.02) = 0.057% HA GLU- 64 - HB3 GLU- 54 2.500% * 0.0523% (0.41 1.0 0.02 0.02) = 0.052% HA GLU- 109 - HB3 GLU- 54 2.500% * 0.0482% (0.37 1.0 0.02 0.02) = 0.048% HB3 SER 49 - HB3 GLU- 54 2.500% * 0.0383% (0.30 1.0 0.02 0.02) = 0.038% HA GLU- 56 - HB3 GLU- 54 2.500% * 0.0367% (0.28 1.0 0.02 0.10) = 0.037% HA GLU- 12 - HB3 GLU- 54 2.500% * 0.0213% (0.17 1.0 0.02 0.02) = 0.021% HA ARG+ 84 - HB3 GLU- 54 2.500% * 0.0188% (0.15 1.0 0.02 0.02) = 0.019% HA SER 85 - HB3 GLU- 54 2.500% * 0.0188% (0.15 1.0 0.02 0.02) = 0.019% HA PRO 52 - HB3 GLU- 54 2.500% * 0.0188% (0.15 1.0 0.02 8.58) = 0.019% HA VAL 94 - HB3 GLU- 54 2.500% * 0.0166% (0.13 1.0 0.02 0.02) = 0.017% HA PRO 59 - HB2 GLU- 45 2.500% * 0.0082% (0.06 1.0 0.02 0.02) = 0.008% HA GLU- 54 - HB2 GLU- 45 2.500% * 0.0073% (0.06 1.0 0.02 0.02) = 0.007% HA ASN 76 - HB2 GLU- 45 2.500% * 0.0071% (0.06 1.0 0.02 0.02) = 0.007% HA GLU- 107 - HB2 GLU- 45 2.500% * 0.0068% (0.05 1.0 0.02 0.02) = 0.007% HA ASN 119 - HB2 GLU- 45 2.500% * 0.0068% (0.05 1.0 0.02 0.02) = 0.007% HA GLU- 75 - HB2 GLU- 45 2.500% * 0.0043% (0.03 1.0 0.02 0.11) = 0.004% HA GLU- 64 - HB2 GLU- 45 2.500% * 0.0040% (0.03 1.0 0.02 0.02) = 0.004% HA GLU- 56 - HB2 GLU- 45 2.500% * 0.0028% (0.02 1.0 0.02 0.02) = 0.003% HA GLU- 12 - HB2 GLU- 45 2.500% * 0.0016% (0.01 1.0 0.02 0.02) = 0.002% HA SER 85 - HB2 GLU- 45 2.500% * 0.0014% (0.01 1.0 0.02 0.02) = 0.001% HA ARG+ 84 - HB2 GLU- 45 2.500% * 0.0014% (0.01 1.0 0.02 0.02) = 0.001% HA PRO 52 - HB2 GLU- 45 2.500% * 0.0014% (0.01 1.0 0.02 0.02) = 0.001% HA VAL 94 - HB2 GLU- 45 2.500% * 0.0013% (0.01 1.0 0.02 0.02) = 0.001% Peak 3504 (4.25, 2.10, 28.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3505 (8.35, 2.39, 29.25 ppm): 6 chemical-shift based assignments, quality = 0.35, support = 4.2, residual support = 22.2: * O HN GLU- 50 - HB3 GLU- 50 16.667% * 99.2407% (0.35 10.0 4.23 22.41) = 99.241% kept HN ALA 103 - HB3 GLU- 50 16.667% * 0.2021% (0.72 1.0 0.02 0.02) = 0.202% HN GLU- 109 - HB3 GLU- 50 16.667% * 0.1968% (0.70 1.0 0.02 0.02) = 0.197% HN LYS+ 108 - HB3 GLU- 50 16.667% * 0.1929% (0.69 1.0 0.02 0.02) = 0.193% HN GLY 71 - HB3 GLU- 50 16.667% * 0.1400% (0.50 1.0 0.02 0.02) = 0.140% HN GLY 114 - HB3 GLU- 50 16.667% * 0.0276% (0.10 1.0 0.02 0.21) = 0.028% Peak 3506 (7.13, 3.20, 30.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3507 (8.46, 3.20, 30.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3508 (1.57, 1.58, 30.00 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3509 (2.88, 1.58, 30.00 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3511 (2.25, 1.90, 30.28 ppm): 60 chemical-shift based assignments, quality = 0.357, support = 2.08, residual support = 14.9: * O HG3 GLU- 10 - HB2 GLU- 10 1.667% * 42.9930% (0.18 10.0 1.00 1.93 9.88) = 42.993% kept HB2 PRO 52 - HB3 ARG+ 53 1.667% * 17.3971% (0.30 1.0 1.00 4.58 23.27) = 17.397% kept HG3 GLU- 54 - HB3 ARG+ 53 1.667% * 15.9945% (0.81 1.0 1.00 1.56 31.86) = 15.995% kept O HG3 GLU- 75 - HB2 GLU- 75 1.667% * 6.1060% (0.02 10.0 1.00 2.91 24.21) = 6.106% kept HG2 PRO 112 - HB3 ARG+ 53 1.667% * 5.0590% (0.96 1.0 1.00 0.42 0.02) = 5.059% kept HG2 PRO 112 - HD3 LYS+ 63 1.667% * 2.2722% (0.91 1.0 1.00 0.20 0.02) = 2.272% kept T HG3 GLN 16 - HB3 ARG+ 53 1.667% * 1.9709% (0.78 1.0 10.00 0.02 0.02) = 1.971% kept T HG3 GLN 16 - HD3 LYS+ 63 1.667% * 1.8664% (0.74 1.0 10.00 0.02 0.02) = 1.866% kept HG3 GLU- 54 - HD3 LYS+ 63 1.667% * 0.8433% (0.77 1.0 1.00 0.09 0.02) = 0.843% HB2 PRO 52 - HD3 LYS+ 63 1.667% * 0.6173% (0.28 1.0 1.00 0.17 1.23) = 0.617% T HG3 GLN 102 - HB3 ARG+ 53 1.667% * 0.5480% (0.22 1.0 10.00 0.02 0.02) = 0.548% T HG3 GLN 102 - HD3 LYS+ 63 1.667% * 0.5189% (0.20 1.0 10.00 0.02 0.02) = 0.519% T HG3 GLN 16 - HB2 GLU- 10 1.667% * 0.4264% (0.17 1.0 10.00 0.02 0.02) = 0.426% HB3 ASN 15 - HB3 ARG+ 53 1.667% * 0.2328% (0.92 1.0 1.00 0.02 0.02) = 0.233% HG3 GLU- 107 - HB3 ARG+ 53 1.667% * 0.2207% (0.87 1.0 1.00 0.02 0.02) = 0.221% HB3 ASN 15 - HD3 LYS+ 63 1.667% * 0.2205% (0.87 1.0 1.00 0.02 0.02) = 0.220% HG3 GLU- 107 - HD3 LYS+ 63 1.667% * 0.2090% (0.82 1.0 1.00 0.02 0.02) = 0.209% HG3 GLU- 10 - HB3 ARG+ 53 1.667% * 0.2056% (0.81 1.0 1.00 0.02 0.02) = 0.206% HG3 GLU- 10 - HD3 LYS+ 63 1.667% * 0.1947% (0.77 1.0 1.00 0.02 0.02) = 0.195% HB3 GLU- 45 - HB3 ARG+ 53 1.667% * 0.1787% (0.70 1.0 1.00 0.02 0.02) = 0.179% HB3 GLU- 45 - HD3 LYS+ 63 1.667% * 0.1693% (0.67 1.0 1.00 0.02 0.02) = 0.169% HB VAL 80 - HB3 ARG+ 53 1.667% * 0.1198% (0.47 1.0 1.00 0.02 0.02) = 0.120% T HG3 GLN 102 - HB2 GLU- 10 1.667% * 0.1186% (0.05 1.0 10.00 0.02 0.02) = 0.119% HB VAL 80 - HD3 LYS+ 63 1.667% * 0.1135% (0.45 1.0 1.00 0.02 0.02) = 0.113% HB3 LYS+ 117 - HB3 ARG+ 53 1.667% * 0.1012% (0.40 1.0 1.00 0.02 0.02) = 0.101% HG3 GLU- 75 - HB3 ARG+ 53 1.667% * 0.1012% (0.40 1.0 1.00 0.02 0.02) = 0.101% HG3 GLU- 75 - HD3 LYS+ 63 1.667% * 0.0958% (0.38 1.0 1.00 0.02 0.02) = 0.096% HB3 LYS+ 117 - HD3 LYS+ 63 1.667% * 0.0958% (0.38 1.0 1.00 0.02 0.73) = 0.096% HG3 GLU- 109 - HB3 ARG+ 53 1.667% * 0.0760% (0.30 1.0 1.00 0.02 0.02) = 0.076% HB3 PRO 112 - HB3 ARG+ 53 1.667% * 0.0742% (0.29 1.0 1.00 0.02 0.02) = 0.074% T HB VAL 80 - HB2 GLU- 75 1.667% * 0.0723% (0.03 1.0 10.00 0.02 0.02) = 0.072% HG3 GLU- 109 - HD3 LYS+ 63 1.667% * 0.0719% (0.28 1.0 1.00 0.02 0.02) = 0.072% HB3 PRO 112 - HD3 LYS+ 63 1.667% * 0.0703% (0.28 1.0 1.00 0.02 0.02) = 0.070% T HB3 LYS+ 117 - HB2 GLU- 75 1.667% * 0.0611% (0.02 1.0 10.00 0.02 0.02) = 0.061% HG2 PRO 112 - HB2 GLU- 10 1.667% * 0.0527% (0.21 1.0 1.00 0.02 0.02) = 0.053% HB3 ASN 15 - HB2 GLU- 10 1.667% * 0.0504% (0.20 1.0 1.00 0.02 0.02) = 0.050% HG3 GLU- 107 - HB2 GLU- 10 1.667% * 0.0478% (0.19 1.0 1.00 0.02 0.02) = 0.048% T HB3 PRO 112 - HB2 GLU- 75 1.667% * 0.0448% (0.02 1.0 10.00 0.02 0.30) = 0.045% HG3 GLU- 54 - HB2 GLU- 10 1.667% * 0.0445% (0.18 1.0 1.00 0.02 0.02) = 0.044% HB3 GLU- 45 - HB2 GLU- 10 1.667% * 0.0387% (0.15 1.0 1.00 0.02 0.85) = 0.039% HG3 GLU- 18 - HB3 ARG+ 53 1.667% * 0.0380% (0.15 1.0 1.00 0.02 0.02) = 0.038% HG3 GLU- 18 - HD3 LYS+ 63 1.667% * 0.0360% (0.14 1.0 1.00 0.02 0.02) = 0.036% HB VAL 80 - HB2 GLU- 10 1.667% * 0.0259% (0.10 1.0 1.00 0.02 0.02) = 0.026% HB3 LYS+ 117 - HB2 GLU- 10 1.667% * 0.0219% (0.09 1.0 1.00 0.02 0.02) = 0.022% HG3 GLU- 75 - HB2 GLU- 10 1.667% * 0.0219% (0.09 1.0 1.00 0.02 0.02) = 0.022% HB2 PRO 52 - HB2 GLU- 10 1.667% * 0.0164% (0.06 1.0 1.00 0.02 0.02) = 0.016% HG3 GLU- 109 - HB2 GLU- 10 1.667% * 0.0164% (0.06 1.0 1.00 0.02 0.02) = 0.016% HB3 PRO 112 - HB2 GLU- 10 1.667% * 0.0161% (0.06 1.0 1.00 0.02 0.02) = 0.016% HG2 PRO 112 - HB2 GLU- 75 1.667% * 0.0147% (0.06 1.0 1.00 0.02 0.30) = 0.015% HB3 ASN 15 - HB2 GLU- 75 1.667% * 0.0140% (0.06 1.0 1.00 0.02 0.02) = 0.014% HG3 GLU- 107 - HB2 GLU- 75 1.667% * 0.0133% (0.05 1.0 1.00 0.02 0.02) = 0.013% HG3 GLU- 54 - HB2 GLU- 75 1.667% * 0.0124% (0.05 1.0 1.00 0.02 0.02) = 0.012% HG3 GLU- 10 - HB2 GLU- 75 1.667% * 0.0124% (0.05 1.0 1.00 0.02 0.02) = 0.012% HG3 GLN 16 - HB2 GLU- 75 1.667% * 0.0119% (0.05 1.0 1.00 0.02 0.02) = 0.012% HB3 GLU- 45 - HB2 GLU- 75 1.667% * 0.0108% (0.04 1.0 1.00 0.02 0.11) = 0.011% HG3 GLU- 18 - HB2 GLU- 10 1.667% * 0.0082% (0.03 1.0 1.00 0.02 0.02) = 0.008% HG3 GLU- 109 - HB2 GLU- 75 1.667% * 0.0046% (0.02 1.0 1.00 0.02 0.02) = 0.005% HB2 PRO 52 - HB2 GLU- 75 1.667% * 0.0046% (0.02 1.0 1.00 0.02 0.02) = 0.005% HG3 GLN 102 - HB2 GLU- 75 1.667% * 0.0033% (0.01 1.0 1.00 0.02 0.55) = 0.003% HG3 GLU- 18 - HB2 GLU- 75 1.667% * 0.0023% (0.01 1.0 1.00 0.02 0.02) = 0.002% Peak 3512 (1.91, 1.90, 30.28 ppm): 3 diagonal assignments: * HD3 LYS+ 63 - HD3 LYS+ 63 (0.90) kept HB3 ARG+ 53 - HB3 ARG+ 53 (0.81) kept HB2 GLU- 10 - HB2 GLU- 10 (0.06) kept Peak 3513 (4.93, 1.90, 30.85 ppm): 12 chemical-shift based assignments, quality = 0.57, support = 2.17, residual support = 21.4: * HA ILE 101 - HB3 GLN 102 8.333% * 82.1075% (0.59 2.58 25.73) = 82.107% kept HA ALA 33 - HB3 GLN 102 8.333% * 10.9895% (0.71 0.29 1.77) = 10.989% kept HA ALA 33 - HB3 GLN 16 8.333% * 4.1633% (0.17 0.44 2.54) = 4.163% kept HA HIS+ 98 - HB3 GLN 102 8.333% * 1.4254% (0.34 0.08 0.02) = 1.425% kept HA ILE 101 - HB2 GLU- 75 8.333% * 0.7126% (0.10 0.13 1.35) = 0.713% HA ILE 101 - HB3 GLN 16 8.333% * 0.1572% (0.14 0.02 0.02) = 0.157% HA ALA 33 - HB2 GLU- 75 8.333% * 0.1376% (0.13 0.02 0.02) = 0.138% HA HIS+ 98 - HB3 GLN 16 8.333% * 0.0922% (0.08 0.02 0.02) = 0.092% HA HIS+ 98 - HB2 GLU- 75 8.333% * 0.0668% (0.06 0.02 0.02) = 0.067% HA ALA 33 - HB2 GLU- 10 8.333% * 0.0639% (0.06 0.02 0.02) = 0.064% HA ILE 101 - HB2 GLU- 10 8.333% * 0.0529% (0.05 0.02 0.02) = 0.053% HA HIS+ 98 - HB2 GLU- 10 8.333% * 0.0310% (0.03 0.02 0.02) = 0.031% Peak 3514 (8.51, 2.02, 31.51 ppm): 3 chemical-shift based assignments, quality = 0.0916, support = 0.0637, residual support = 0.02: HN GLU- 10 - HB3 GLU- 75 33.333% * 75.5701% (0.10 0.08 0.02) = 75.570% kept HN GLU- 10 - HB3 GLU- 64 33.333% * 12.4781% (0.06 0.02 0.02) = 12.478% kept HN GLU- 10 - HB2 GLU- 18 33.333% * 11.9518% (0.06 0.02 0.02) = 11.952% kept Reference assignment not found: HN GLU- 18 - HB2 GLU- 18 Not enough support, support cutoff is 0.27 Peak unassigned. Peak 3516 (8.18, 2.49, 31.14 ppm): 4 chemical-shift based assignments, quality = 0.721, support = 3.08, residual support = 17.8: * HN SER 41 - HB VAL 40 25.000% * 72.2678% (0.72 4.01 24.52) = 72.268% kept HN GLN 16 - HB VAL 40 25.000% * 14.3469% (0.98 0.59 0.22) = 14.347% kept HN ALA 33 - HB VAL 40 25.000% * 8.9463% (0.52 0.69 0.38) = 8.946% kept HN SER 77 - HB VAL 40 25.000% * 4.4390% (0.25 0.72 0.31) = 4.439% kept Peak 3517 (4.80, 2.02, 31.51 ppm): 12 chemical-shift based assignments, quality = 0.162, support = 4.71, residual support = 51.7: * O HA GLU- 18 - HB2 GLU- 18 8.333% * 96.0053% (0.16 10.0 4.90 53.83) = 96.005% kept HA GLU- 18 - HB3 GLU- 75 8.333% * 2.8063% (0.26 1.0 0.36 0.02) = 2.806% kept HA LEU 23 - HB3 GLU- 75 8.333% * 0.2365% (0.40 1.0 0.02 0.02) = 0.237% HA LEU 23 - HB3 GLU- 64 8.333% * 0.1519% (0.25 1.0 0.02 0.02) = 0.152% HB THR 39 - HB3 GLU- 75 8.333% * 0.1464% (0.25 1.0 0.02 0.02) = 0.146% HA LEU 23 - HB2 GLU- 18 8.333% * 0.1455% (0.24 1.0 0.02 0.02) = 0.145% HA GLU- 18 - HB3 GLU- 64 8.333% * 0.1002% (0.17 1.0 0.02 0.02) = 0.100% HA ASN 15 - HB3 GLU- 75 8.333% * 0.0992% (0.17 1.0 0.02 0.02) = 0.099% HB THR 39 - HB3 GLU- 64 8.333% * 0.0940% (0.16 1.0 0.02 0.02) = 0.094% HB THR 39 - HB2 GLU- 18 8.333% * 0.0900% (0.15 1.0 0.02 0.02) = 0.090% HA ASN 15 - HB3 GLU- 64 8.333% * 0.0637% (0.11 1.0 0.02 0.02) = 0.064% HA ASN 15 - HB2 GLU- 18 8.333% * 0.0610% (0.10 1.0 0.02 0.02) = 0.061% Peak 3518 (2.48, 2.48, 31.16 ppm): 1 diagonal assignment: * HB VAL 40 - HB VAL 40 (0.98) kept Peak 3523 (1.64, 1.22, 30.87 ppm): 12 chemical-shift based assignments, quality = 0.911, support = 4.1, residual support = 86.1: O HG2 ARG+ 22 - HB3 ARG+ 22 8.333% * 85.4281% (0.94 10.0 1.00 4.39 95.87) = 85.428% kept HG LEU 23 - HB3 ARG+ 22 8.333% * 9.9628% (0.76 1.0 1.00 2.89 40.43) = 9.963% kept HG12 ILE 101 - HB3 ARG+ 22 8.333% * 4.0811% (0.69 1.0 1.00 1.32 3.69) = 4.081% kept T HB ILE 100 - HB3 ARG+ 22 8.333% * 0.2252% (0.25 1.0 10.00 0.02 0.02) = 0.225% HB ILE 68 - HB3 ARG+ 22 8.333% * 0.0584% (0.65 1.0 1.00 0.02 0.02) = 0.058% HG LEU 43 - HB3 ARG+ 22 8.333% * 0.0584% (0.65 1.0 1.00 0.02 0.02) = 0.058% HB VAL 122 - HB3 ARG+ 22 8.333% * 0.0584% (0.65 1.0 1.00 0.02 0.02) = 0.058% HG3 ARG+ 84 - HB3 ARG+ 22 8.333% * 0.0405% (0.45 1.0 1.00 0.02 0.02) = 0.040% HG3 LYS+ 78 - HB3 ARG+ 22 8.333% * 0.0339% (0.37 1.0 1.00 0.02 0.02) = 0.034% HB3 LYS+ 66 - HB3 ARG+ 22 8.333% * 0.0251% (0.28 1.0 1.00 0.02 0.02) = 0.025% HB3 MET 97 - HB3 ARG+ 22 8.333% * 0.0158% (0.17 1.0 1.00 0.02 0.98) = 0.016% HG2 LYS+ 110 - HB3 ARG+ 22 8.333% * 0.0122% (0.14 1.0 1.00 0.02 0.02) = 0.012% Peak 3524 (1.65, 1.33, 30.88 ppm): 12 chemical-shift based assignments, quality = 0.855, support = 5.81, residual support = 88.5: O HG2 ARG+ 22 - HB2 ARG+ 22 8.333% * 89.5519% (0.92 10.0 6.18 95.87) = 89.552% kept HG LEU 23 - HB2 ARG+ 22 8.333% * 6.2952% (0.34 1.0 3.80 40.43) = 6.295% kept HG12 ILE 101 - HB2 ARG+ 22 8.333% * 2.1077% (0.28 1.0 1.56 3.69) = 2.108% kept HB3 LYS+ 81 - HB2 ARG+ 22 8.333% * 1.2107% (0.31 1.0 0.81 0.02) = 1.211% kept HG3 ARG+ 84 - HB2 ARG+ 22 8.333% * 0.5380% (0.86 1.0 0.13 0.02) = 0.538% HB3 LYS+ 66 - HB2 ARG+ 22 8.333% * 0.0666% (0.68 1.0 0.02 0.02) = 0.067% HB ILE 100 - HB2 ARG+ 22 8.333% * 0.0628% (0.64 1.0 0.02 0.02) = 0.063% HB3 MET 97 - HB2 ARG+ 22 8.333% * 0.0510% (0.52 1.0 0.02 0.98) = 0.051% HB3 MET 126 - HB2 ARG+ 22 8.333% * 0.0435% (0.45 1.0 0.02 0.02) = 0.043% HB VAL 122 - HB2 ARG+ 22 8.333% * 0.0242% (0.25 1.0 0.02 0.02) = 0.024% HB ILE 68 - HB2 ARG+ 22 8.333% * 0.0242% (0.25 1.0 0.02 0.02) = 0.024% HG LEU 43 - HB2 ARG+ 22 8.333% * 0.0242% (0.25 1.0 0.02 0.02) = 0.024% Peak 3527 (5.19, 1.33, 30.88 ppm): 1 chemical-shift based assignment, quality = 0.977, support = 6.07, residual support = 95.9: * O HA ARG+ 22 - HB2 ARG+ 22 100.000% *100.0000% (0.98 10.0 6.07 95.87) = 100.000% kept Peak 3528 (5.19, 1.22, 30.87 ppm): 1 chemical-shift based assignment, quality = 0.979, support = 5.18, residual support = 95.9: * O HA ARG+ 22 - HB3 ARG+ 22 100.000% *100.0000% (0.98 10.0 5.18 95.87) = 100.000% kept Peak 3529 (8.97, 1.22, 30.87 ppm): 6 chemical-shift based assignments, quality = 0.468, support = 3.5, residual support = 61.2: * O HN ARG+ 22 - HB3 ARG+ 22 16.667% * 62.7497% (0.28 10.0 4.48 95.87) = 62.750% kept HN MET 97 - HB3 ARG+ 22 16.667% * 16.6034% (0.87 1.0 1.70 0.98) = 16.603% kept HN ILE 19 - HB3 ARG+ 22 16.667% * 14.1247% (0.99 1.0 1.26 1.47) = 14.125% kept HN PHE 21 - HB3 ARG+ 22 16.667% * 6.3170% (0.15 1.0 3.63 10.51) = 6.317% kept HN LEU 17 - HB3 ARG+ 22 16.667% * 0.1550% (0.69 1.0 0.02 0.02) = 0.155% HN THR 96 - HB3 ARG+ 22 16.667% * 0.0502% (0.22 1.0 0.02 0.02) = 0.050% Peak 3530 (8.97, 1.33, 30.88 ppm): 6 chemical-shift based assignments, quality = 0.468, support = 3.8, residual support = 61.0: * O HN ARG+ 22 - HB2 ARG+ 22 16.667% * 62.6320% (0.28 10.0 5.04 95.87) = 62.632% kept HN ILE 19 - HB2 ARG+ 22 16.667% * 15.8512% (0.99 1.0 1.42 1.47) = 15.851% kept HN MET 97 - HB2 ARG+ 22 16.667% * 14.9735% (0.86 1.0 1.53 0.98) = 14.973% kept HN PHE 21 - HB2 ARG+ 22 16.667% * 5.7247% (0.15 1.0 3.29 10.51) = 5.725% kept HN LEU 17 - HB2 ARG+ 22 16.667% * 0.7684% (0.68 1.0 0.10 0.02) = 0.768% HN THR 96 - HB2 ARG+ 22 16.667% * 0.0502% (0.22 1.0 0.02 0.02) = 0.050% Peak 3532 (8.37, 1.92, 30.87 ppm): 16 chemical-shift based assignments, quality = 0.249, support = 2.17, residual support = 6.31: * HN ALA 103 - HB3 GLN 102 6.250% * 76.2382% (0.22 2.81 8.27) = 76.238% kept HN GLY 71 - HB3 GLN 102 6.250% * 10.9258% (0.57 0.15 0.02) = 10.926% kept HN ALA 103 - HB2 GLU- 75 6.250% * 4.3663% (0.14 0.26 0.02) = 4.366% kept HN LYS+ 108 - HB3 GLN 102 6.250% * 4.1213% (0.38 0.09 0.02) = 4.121% kept HN ALA 103 - HB3 GLN 16 6.250% * 1.0269% (0.03 0.24 0.02) = 1.027% kept HN GLY 71 - HB2 GLU- 75 6.250% * 0.8945% (0.36 0.02 0.02) = 0.894% HN LYS+ 108 - HB2 GLU- 75 6.250% * 0.6049% (0.24 0.02 0.02) = 0.605% HN GLU- 109 - HB3 GLN 102 6.250% * 0.4430% (0.18 0.02 0.02) = 0.443% HN GLU- 109 - HB2 GLU- 75 6.250% * 0.2773% (0.11 0.02 0.02) = 0.277% HN GLY 71 - HB2 GLU- 10 6.250% * 0.2745% (0.11 0.02 0.02) = 0.274% HN GLY 71 - HB3 GLN 16 6.250% * 0.2277% (0.09 0.02 0.02) = 0.228% HN LYS+ 108 - HB2 GLU- 10 6.250% * 0.1856% (0.07 0.02 0.02) = 0.186% HN LYS+ 108 - HB3 GLN 16 6.250% * 0.1540% (0.06 0.02 0.02) = 0.154% HN ALA 103 - HB2 GLU- 10 6.250% * 0.1044% (0.04 0.02 0.02) = 0.104% HN GLU- 109 - HB2 GLU- 10 6.250% * 0.0851% (0.03 0.02 0.02) = 0.085% HN GLU- 109 - HB3 GLN 16 6.250% * 0.0706% (0.03 0.02 0.02) = 0.071% Peak 3534 (8.50, 1.76, 31.52 ppm): 4 chemical-shift based assignments, quality = 0.104, support = 5.26, residual support = 53.2: * O HN GLU- 18 - HB3 GLU- 18 25.000% * 98.8156% (0.10 10.0 5.32 53.83) = 98.816% kept HN LYS+ 113 - HB3 GLU- 18 25.000% * 1.0204% (0.08 1.0 0.26 0.02) = 1.020% kept HN GLU- 10 - HB3 GLU- 18 25.000% * 0.1334% (0.14 1.0 0.02 0.02) = 0.133% HN GLY 92 - HB3 GLU- 18 25.000% * 0.0306% (0.03 1.0 0.02 0.02) = 0.031% Peak 3535 (3.86, 2.58, 32.91 ppm): 11 chemical-shift based assignments, quality = 0.224, support = 1.77, residual support = 12.2: * O T HD3 PRO 35 - HB3 PRO 35 9.091% * 96.6036% (0.23 10.0 10.00 1.83 12.64) = 96.604% kept T HD2 PRO 116 - HB3 PRO 35 9.091% * 0.7735% (0.19 1.0 10.00 0.02 0.02) = 0.774% T HD2 PRO 86 - HB3 PRO 35 9.091% * 0.6085% (0.15 1.0 10.00 0.02 0.02) = 0.608% HB3 SER 88 - HB3 PRO 35 9.091% * 0.3287% (0.79 1.0 1.00 0.02 0.02) = 0.329% HB2 SER 85 - HB3 PRO 35 9.091% * 0.3207% (0.77 1.0 1.00 0.02 0.02) = 0.321% HA2 GLY 114 - HB3 PRO 35 9.091% * 0.3116% (0.75 1.0 1.00 0.02 0.02) = 0.312% HB3 SER 77 - HB3 PRO 35 9.091% * 0.3116% (0.75 1.0 1.00 0.02 0.02) = 0.312% HB3 SER 27 - HB3 PRO 35 9.091% * 0.2387% (0.57 1.0 1.00 0.02 0.02) = 0.239% HA LYS+ 117 - HB3 PRO 35 9.091% * 0.2248% (0.54 1.0 1.00 0.02 0.02) = 0.225% HA GLU- 45 - HB3 PRO 35 9.091% * 0.2248% (0.54 1.0 1.00 0.02 0.02) = 0.225% HA2 GLY 92 - HB3 PRO 35 9.091% * 0.0536% (0.13 1.0 1.00 0.02 0.02) = 0.054% Peak 3536 (2.90, 2.91, 31.92 ppm): 1 diagonal assignment: * HB2 HIS+ 98 - HB2 HIS+ 98 (0.62) kept Peak 3537 (1.63, 2.91, 31.92 ppm): 10 chemical-shift based assignments, quality = 0.52, support = 3.13, residual support = 8.57: T HG2 ARG+ 22 - HB2 HIS+ 98 10.000% * 76.7373% (0.50 10.00 3.47 8.68) = 76.737% kept HG LEU 23 - HB2 HIS+ 98 10.000% * 11.3223% (0.66 1.00 2.22 3.05) = 11.322% kept * HB ILE 68 - HB2 HIS+ 98 10.000% * 10.0231% (0.62 1.00 2.12 15.60) = 10.023% kept HG12 ILE 101 - HB2 HIS+ 98 10.000% * 0.9630% (0.63 1.00 0.20 0.11) = 0.963% HG LEU 43 - HB2 HIS+ 98 10.000% * 0.4585% (0.62 1.00 0.10 0.02) = 0.459% HG3 ARG+ 84 - HB2 HIS+ 98 10.000% * 0.2791% (0.15 1.00 0.24 0.02) = 0.279% HB VAL 122 - HB2 HIS+ 98 10.000% * 0.0948% (0.62 1.00 0.02 0.02) = 0.095% HG3 LYS+ 78 - HB2 HIS+ 98 10.000% * 0.0684% (0.44 1.00 0.02 0.02) = 0.068% HG2 LYS+ 110 - HB2 HIS+ 98 10.000% * 0.0326% (0.21 1.00 0.02 0.02) = 0.033% HB3 PRO 52 - HB2 HIS+ 98 10.000% * 0.0209% (0.14 1.00 0.02 0.02) = 0.021% Peak 3538 (1.36, 2.91, 31.92 ppm): 7 chemical-shift based assignments, quality = 0.626, support = 1.31, residual support = 1.45: T HG3 LYS+ 81 - HB2 HIS+ 98 14.286% * 59.9142% (0.62 10.00 0.77 0.39) = 59.914% kept HB3 LYS+ 20 - HB2 HIS+ 98 14.286% * 25.4026% (0.69 1.00 2.92 2.62) = 25.403% kept HB3 LEU 17 - HB2 HIS+ 98 14.286% * 7.5003% (0.66 1.00 0.89 0.84) = 7.500% kept QB ALA 11 - HB2 HIS+ 98 14.286% * 3.5212% (0.68 1.00 0.41 0.02) = 3.521% kept * HG13 ILE 68 - HB2 HIS+ 98 14.286% * 3.1141% (0.28 1.00 0.87 15.60) = 3.114% kept QG2 THR 39 - HB2 HIS+ 98 14.286% * 0.4081% (0.42 1.00 0.08 0.02) = 0.408% HG2 LYS+ 78 - HB2 HIS+ 98 14.286% * 0.1395% (0.55 1.00 0.02 0.02) = 0.140% Peak 3539 (0.74, 2.91, 31.92 ppm): 8 chemical-shift based assignments, quality = 0.589, support = 1.03, residual support = 5.55: * QD1 ILE 68 - HB2 HIS+ 98 12.500% * 34.8764% (0.57 1.69 15.60) = 34.876% kept HG3 LYS+ 66 - HB2 HIS+ 98 12.500% * 20.4122% (0.69 0.83 0.23) = 20.412% kept QG2 VAL 65 - HB2 HIS+ 98 12.500% * 18.2023% (0.62 0.82 0.29) = 18.202% kept HG3 LYS+ 44 - HB2 HIS+ 98 12.500% * 10.5644% (0.69 0.43 0.02) = 10.564% kept QG1 VAL 40 - HB2 HIS+ 98 12.500% * 8.0142% (0.55 0.41 0.02) = 8.014% kept QG2 ILE 101 - HB2 HIS+ 98 12.500% * 6.2517% (0.23 0.77 0.11) = 6.252% kept QG2 ILE 48 - HB2 HIS+ 98 12.500% * 1.4933% (0.38 0.11 0.02) = 1.493% kept HG LEU 74 - HB2 HIS+ 98 12.500% * 0.1854% (0.26 0.02 0.02) = 0.185% Peak 3540 (3.16, 3.15, 31.92 ppm): 1 diagonal assignment: * HB3 HIS+ 98 - HB3 HIS+ 98 (0.39) kept Peak 3541 (1.64, 3.15, 31.92 ppm): 13 chemical-shift based assignments, quality = 0.392, support = 1.74, residual support = 7.27: HG2 ARG+ 22 - HB3 HIS+ 98 7.692% * 31.8734% (0.64 1.65 8.68) = 31.873% kept * HB ILE 68 - HB3 HIS+ 98 7.692% * 22.4802% (0.29 2.60 15.60) = 22.480% kept HB3 MET 97 - HB3 HIS+ 98 7.692% * 15.4610% (0.20 2.60 3.95) = 15.461% kept HG LEU 23 - HB3 HIS+ 98 7.692% * 11.6790% (0.36 1.07 3.05) = 11.679% kept HB ILE 100 - HB3 HIS+ 98 7.692% * 6.6804% (0.26 0.84 0.25) = 6.680% kept HB3 LYS+ 66 - HB3 HIS+ 98 7.692% * 5.2029% (0.29 0.60 0.23) = 5.203% kept HG3 ARG+ 84 - HB3 HIS+ 98 7.692% * 4.3767% (0.41 0.35 0.02) = 4.377% kept HB3 LYS+ 81 - HB3 HIS+ 98 7.692% * 0.8607% (0.10 0.29 0.39) = 0.861% HG LEU 43 - HB3 HIS+ 98 7.692% * 0.8437% (0.29 0.10 0.02) = 0.844% HG12 ILE 101 - HB3 HIS+ 98 7.692% * 0.1876% (0.31 0.02 0.11) = 0.188% HB VAL 122 - HB3 HIS+ 98 7.692% * 0.1728% (0.29 0.02 0.02) = 0.173% HB3 MET 126 - HB3 HIS+ 98 7.692% * 0.0961% (0.16 0.02 0.02) = 0.096% HG3 LYS+ 78 - HB3 HIS+ 98 7.692% * 0.0858% (0.14 0.02 0.02) = 0.086% Peak 3542 (1.36, 3.15, 31.92 ppm): 7 chemical-shift based assignments, quality = 0.585, support = 1.3, residual support = 2.7: HB3 LYS+ 20 - HB3 HIS+ 98 14.286% * 41.8941% (0.64 1.90 2.62) = 41.894% kept HB3 LEU 17 - HB3 HIS+ 98 14.286% * 21.5826% (0.62 1.01 0.84) = 21.583% kept HG3 LYS+ 81 - HB3 HIS+ 98 14.286% * 18.0283% (0.57 0.91 0.39) = 18.028% kept * HG13 ILE 68 - HB3 HIS+ 98 14.286% * 8.6450% (0.26 0.95 15.60) = 8.645% kept QB ALA 11 - HB3 HIS+ 98 14.286% * 8.2598% (0.63 0.38 0.02) = 8.260% kept QG2 THR 39 - HB3 HIS+ 98 14.286% * 1.2371% (0.39 0.09 0.02) = 1.237% kept HG2 LYS+ 78 - HB3 HIS+ 98 14.286% * 0.3530% (0.51 0.02 0.02) = 0.353% Peak 3543 (0.74, 3.15, 31.92 ppm): 8 chemical-shift based assignments, quality = 0.562, support = 0.804, residual support = 5.61: * QD1 ILE 68 - HB3 HIS+ 98 12.500% * 35.2539% (0.53 1.31 15.60) = 35.254% kept QG2 VAL 65 - HB3 HIS+ 98 12.500% * 22.0777% (0.57 0.76 0.29) = 22.078% kept HG3 LYS+ 66 - HB3 HIS+ 98 12.500% * 16.1842% (0.64 0.50 0.23) = 16.184% kept HG3 LYS+ 44 - HB3 HIS+ 98 12.500% * 13.6693% (0.64 0.42 0.02) = 13.669% kept QG1 VAL 40 - HB3 HIS+ 98 12.500% * 8.7383% (0.51 0.34 0.02) = 8.738% kept QG2 ILE 48 - HB3 HIS+ 98 12.500% * 1.9504% (0.36 0.11 0.02) = 1.950% kept QG2 ILE 101 - HB3 HIS+ 98 12.500% * 1.8840% (0.21 0.18 0.11) = 1.884% kept HG LEU 74 - HB3 HIS+ 98 12.500% * 0.2422% (0.24 0.02 0.02) = 0.242% Peak 3544 (4.92, 3.15, 31.92 ppm): 3 chemical-shift based assignments, quality = 0.161, support = 2.95, residual support = 20.1: * O HA HIS+ 98 - HB3 HIS+ 98 33.333% * 84.4674% (0.13 10.0 3.37 23.79) = 84.467% kept HA ILE 101 - HB3 HIS+ 98 33.333% * 8.2895% (0.29 1.0 0.87 0.11) = 8.290% kept HA ALA 33 - HB3 HIS+ 98 33.333% * 7.2431% (0.41 1.0 0.52 0.02) = 7.243% kept Peak 3545 (8.31, 3.15, 31.92 ppm): 6 chemical-shift based assignments, quality = 0.569, support = 2.98, residual support = 11.8: * HN VAL 99 - HB3 HIS+ 98 16.667% * 89.5425% (0.57 3.29 13.22) = 89.542% kept HN ALA 91 - HB3 HIS+ 98 16.667% * 9.4750% (0.57 0.35 0.14) = 9.475% kept HN ASN 76 - HB3 HIS+ 98 16.667% * 0.3440% (0.36 0.02 0.02) = 0.344% HN ASP- 28 - HB3 HIS+ 98 16.667% * 0.2724% (0.29 0.02 0.02) = 0.272% HN GLY 114 - HB3 HIS+ 98 16.667% * 0.2724% (0.29 0.02 0.02) = 0.272% HN ASN 89 - HB3 HIS+ 98 16.667% * 0.0937% (0.10 0.02 0.02) = 0.094% Peak 3546 (9.46, 3.15, 31.92 ppm): 1 chemical-shift based assignment, quality = 0.489, support = 2.86, residual support = 23.8: * O HN HIS+ 98 - HB3 HIS+ 98 100.000% *100.0000% (0.49 10.0 2.86 23.79) = 100.000% kept Peak 3547 (4.92, 2.91, 31.92 ppm): 3 chemical-shift based assignments, quality = 0.169, support = 2.77, residual support = 20.1: * O HA HIS+ 98 - HB2 HIS+ 98 33.333% * 84.5662% (0.14 10.0 3.12 23.79) = 84.566% kept HA ILE 101 - HB2 HIS+ 98 33.333% * 10.5349% (0.31 1.0 1.10 0.11) = 10.535% kept HA ALA 33 - HB2 HIS+ 98 33.333% * 4.8989% (0.44 1.0 0.35 0.02) = 4.899% kept Peak 3548 (8.31, 2.91, 31.92 ppm): 6 chemical-shift based assignments, quality = 0.612, support = 3.02, residual support = 9.85: * HN VAL 99 - HB2 HIS+ 98 16.667% * 74.2735% (0.62 3.65 13.22) = 74.274% kept HN ALA 91 - HB2 HIS+ 98 16.667% * 24.9928% (0.62 1.23 0.14) = 24.993% kept HN ASN 76 - HB2 HIS+ 98 16.667% * 0.2569% (0.39 0.02 0.02) = 0.257% HN ASP- 28 - HB2 HIS+ 98 16.667% * 0.2034% (0.31 0.02 0.02) = 0.203% HN GLY 114 - HB2 HIS+ 98 16.667% * 0.2034% (0.31 0.02 0.02) = 0.203% HN ASN 89 - HB2 HIS+ 98 16.667% * 0.0700% (0.11 0.02 0.02) = 0.070% Peak 3549 (9.47, 2.91, 31.92 ppm): 2 chemical-shift based assignments, quality = 0.687, support = 2.67, residual support = 23.8: * O HN HIS+ 98 - HB2 HIS+ 98 50.000% * 99.9777% (0.69 10.0 2.67 23.79) = 99.978% kept HN ALA 70 - HB2 HIS+ 98 50.000% * 0.0223% (0.15 1.0 0.02 0.02) = 0.022% Peak 3550 (6.97, 2.97, 30.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3551 (4.57, 2.97, 30.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3552 (4.36, 3.04, 29.47 ppm): 7 chemical-shift based assignments, quality = 0.213, support = 3.35, residual support = 43.2: * O HA TRP 51 - HB3 TRP 51 14.286% * 99.4312% (0.21 10.0 3.37 43.48) = 99.431% kept HA2 GLY 26 - HB3 TRP 51 14.286% * 0.1639% (0.35 1.0 0.02 0.02) = 0.164% HB THR 61 - HB3 TRP 51 14.286% * 0.1444% (0.31 1.0 0.02 0.02) = 0.144% HA LYS+ 60 - HB3 TRP 51 14.286% * 0.0920% (0.20 1.0 0.02 0.02) = 0.092% HA ALA 37 - HB3 TRP 51 14.286% * 0.0709% (0.15 1.0 0.02 0.02) = 0.071% HA SER 27 - HB3 TRP 51 14.286% * 0.0645% (0.14 1.0 0.02 0.10) = 0.064% HA ALA 91 - HB3 TRP 51 14.286% * 0.0331% (0.07 1.0 0.02 0.02) = 0.033% Peak 3553 (7.50, 3.04, 29.47 ppm): 2 chemical-shift based assignments, quality = 0.365, support = 2.29, residual support = 43.5: * O HE3 TRP 51 - HB3 TRP 51 50.000% * 99.9722% (0.36 10.0 2.29 43.48) = 99.972% kept HN ASP- 82 - HB3 TRP 51 50.000% * 0.0278% (0.10 1.0 0.02 0.02) = 0.028% Peak 3554 (7.51, 3.70, 29.45 ppm): 2 chemical-shift based assignments, quality = 0.331, support = 2.56, residual support = 43.4: * O HE3 TRP 51 - HB2 TRP 51 50.000% * 99.8673% (0.33 10.0 2.56 43.48) = 99.867% kept HN ASP- 82 - HB2 TRP 51 50.000% * 0.1327% (0.44 1.0 0.02 0.02) = 0.133% Peak 3555 (4.37, 3.70, 29.45 ppm): 8 chemical-shift based assignments, quality = 0.619, support = 3.01, residual support = 40.4: * O T HA TRP 51 - HB2 TRP 51 12.500% * 92.9007% (0.63 10.0 10.00 3.19 43.48) = 92.901% kept HA2 GLY 26 - HB2 TRP 51 12.500% * 3.3364% (0.67 1.0 1.00 0.68 0.02) = 3.336% kept HA SER 27 - HB2 TRP 51 12.500% * 2.5848% (0.52 1.0 1.00 0.67 0.10) = 2.585% kept T HA LYS+ 60 - HB2 TRP 51 12.500% * 0.9026% (0.61 1.0 10.00 0.02 0.02) = 0.903% HB THR 61 - HB2 TRP 51 12.500% * 0.1006% (0.68 1.0 1.00 0.02 0.02) = 0.101% HA ALA 37 - HB2 TRP 51 12.500% * 0.0806% (0.54 1.0 1.00 0.02 0.02) = 0.081% HA ALA 91 - HB2 TRP 51 12.500% * 0.0529% (0.36 1.0 1.00 0.02 0.02) = 0.053% HA SER 88 - HB2 TRP 51 12.500% * 0.0414% (0.28 1.0 1.00 0.02 0.02) = 0.041% Peak 3556 (8.23, 2.24, 29.25 ppm): 20 chemical-shift based assignments, quality = 0.623, support = 4.48, residual support = 52.8: * O HN GLU- 45 - HB3 GLU- 45 5.000% * 69.7036% (0.60 10.0 5.89 73.84) = 69.704% kept HN ALA 11 - HB3 GLU- 45 5.000% * 7.4266% (0.68 1.0 1.88 0.88) = 7.427% kept HN SER 49 - HB2 GLU- 50 5.000% * 6.1418% (0.53 1.0 2.00 17.78) = 6.142% kept HN LYS+ 81 - HB3 GLU- 45 5.000% * 3.9678% (0.68 1.0 1.01 0.23) = 3.968% kept HN VAL 105 - HB3 GLU- 45 5.000% * 3.8468% (0.83 1.0 0.80 0.32) = 3.847% kept HN SER 49 - HB3 GLU- 45 5.000% * 3.6420% (0.92 1.0 0.69 4.72) = 3.642% kept HN LEU 67 - HB3 GLU- 45 5.000% * 1.9380% (0.68 1.0 0.49 0.02) = 1.938% kept HN VAL 94 - HB3 GLU- 45 5.000% * 1.5536% (0.86 1.0 0.31 0.02) = 1.554% kept HN GLU- 45 - HB2 GLU- 50 5.000% * 0.8891% (0.35 1.0 0.44 0.02) = 0.889% HN GLY 58 - HB3 GLU- 45 5.000% * 0.4524% (0.80 1.0 0.10 0.02) = 0.452% HN GLU- 12 - HB3 GLU- 45 5.000% * 0.0651% (0.56 1.0 0.02 0.02) = 0.065% HN VAL 94 - HB2 GLU- 50 5.000% * 0.0577% (0.50 1.0 0.02 0.02) = 0.058% HN VAL 105 - HB2 GLU- 50 5.000% * 0.0556% (0.48 1.0 0.02 0.02) = 0.056% HN GLY 58 - HB2 GLU- 50 5.000% * 0.0533% (0.46 1.0 0.02 0.02) = 0.053% HN ALA 11 - HB2 GLU- 50 5.000% * 0.0457% (0.40 1.0 0.02 0.02) = 0.046% HN LYS+ 81 - HB2 GLU- 50 5.000% * 0.0457% (0.40 1.0 0.02 0.02) = 0.046% HN LEU 67 - HB2 GLU- 50 5.000% * 0.0457% (0.40 1.0 0.02 0.02) = 0.046% HN GLU- 12 - HB2 GLU- 50 5.000% * 0.0377% (0.33 1.0 0.02 0.02) = 0.038% HN THR 106 - HB3 GLU- 45 5.000% * 0.0201% (0.17 1.0 0.02 0.02) = 0.020% HN THR 106 - HB2 GLU- 50 5.000% * 0.0117% (0.10 1.0 0.02 0.02) = 0.012% Peak 3558 (7.79, 2.04, 29.25 ppm): 8 chemical-shift based assignments, quality = 0.756, support = 3.54, residual support = 18.2: * HN THR 46 - HB2 GLU- 45 12.500% * 70.8363% (0.81 4.40 24.18) = 70.836% kept HN VAL 87 - HB2 GLU- 45 12.500% * 18.0579% (0.83 1.10 1.57) = 18.058% kept HN LYS+ 55 - HB3 GLU- 54 12.500% * 6.6697% (0.10 3.27 12.25) = 6.670% kept HN ALA 93 - HB2 GLU- 45 12.500% * 3.4296% (0.69 0.25 0.02) = 3.430% kept HN LYS+ 55 - HB2 GLU- 45 12.500% * 0.7598% (0.39 0.10 0.02) = 0.760% HN VAL 87 - HB3 GLU- 54 12.500% * 0.0878% (0.22 0.02 0.02) = 0.088% HN THR 46 - HB3 GLU- 54 12.500% * 0.0860% (0.22 0.02 0.02) = 0.086% HN ALA 93 - HB3 GLU- 54 12.500% * 0.0728% (0.18 0.02 0.02) = 0.073% Peak 3559 (4.23, 2.04, 29.25 ppm): 30 chemical-shift based assignments, quality = 0.48, support = 1.74, residual support = 7.41: T HB3 SER 49 - HB2 GLU- 45 3.333% * 40.1330% (0.40 1.0 10.00 1.66 4.72) = 40.133% kept O HA GLU- 54 - HB3 GLU- 54 3.333% * 25.8248% (0.21 10.0 1.00 2.32 18.51) = 25.825% kept HA GLU- 10 - HB2 GLU- 45 3.333% * 9.0370% (0.79 1.0 1.00 1.87 0.85) = 9.037% kept * HA ALA 42 - HB2 GLU- 45 3.333% * 7.9244% (0.86 1.0 1.00 1.52 3.50) = 7.924% kept HA SER 49 - HB2 GLU- 45 3.333% * 7.0207% (0.86 1.0 1.00 1.34 4.72) = 7.021% kept HA LYS+ 108 - HB2 GLU- 45 3.333% * 6.2324% (0.79 1.0 1.00 1.29 0.60) = 6.232% kept HA GLU- 109 - HB2 GLU- 45 3.333% * 1.6533% (0.79 1.0 1.00 0.34 0.02) = 1.653% kept HA ALA 11 - HB2 GLU- 45 3.333% * 1.0138% (0.39 1.0 1.00 0.43 0.88) = 1.014% kept T HA SER 49 - HB3 GLU- 54 3.333% * 0.2791% (0.23 1.0 10.00 0.02 0.02) = 0.279% T HA PRO 59 - HB3 GLU- 54 3.333% * 0.1922% (0.16 1.0 10.00 0.02 0.02) = 0.192% T HB3 SER 49 - HB3 GLU- 54 3.333% * 0.1290% (0.11 1.0 10.00 0.02 0.02) = 0.129% HA GLU- 54 - HB2 GLU- 45 3.333% * 0.0967% (0.79 1.0 1.00 0.02 0.02) = 0.097% HA PRO 59 - HB2 GLU- 45 3.333% * 0.0719% (0.59 1.0 1.00 0.02 0.02) = 0.072% HA GLU- 12 - HB2 GLU- 45 3.333% * 0.0677% (0.56 1.0 1.00 0.02 0.02) = 0.068% HA ASN 76 - HB2 GLU- 45 3.333% * 0.0393% (0.32 1.0 1.00 0.02 0.02) = 0.039% HA GLU- 107 - HB2 GLU- 45 3.333% * 0.0357% (0.29 1.0 1.00 0.02 0.02) = 0.036% HA ASN 119 - HB2 GLU- 45 3.333% * 0.0357% (0.29 1.0 1.00 0.02 0.02) = 0.036% HA ALA 42 - HB3 GLU- 54 3.333% * 0.0279% (0.23 1.0 1.00 0.02 0.02) = 0.028% HA GLU- 109 - HB3 GLU- 54 3.333% * 0.0258% (0.21 1.0 1.00 0.02 0.02) = 0.026% HA GLU- 10 - HB3 GLU- 54 3.333% * 0.0258% (0.21 1.0 1.00 0.02 0.02) = 0.026% HA LYS+ 108 - HB3 GLU- 54 3.333% * 0.0258% (0.21 1.0 1.00 0.02 0.02) = 0.026% HA ASP- 82 - HB2 GLU- 45 3.333% * 0.0233% (0.19 1.0 1.00 0.02 0.02) = 0.023% HA GLU- 12 - HB3 GLU- 54 3.333% * 0.0181% (0.15 1.0 1.00 0.02 0.02) = 0.018% HA GLU- 75 - HB2 GLU- 45 3.333% * 0.0142% (0.12 1.0 1.00 0.02 0.11) = 0.014% HA ALA 11 - HB3 GLU- 54 3.333% * 0.0125% (0.10 1.0 1.00 0.02 0.02) = 0.013% HA ASN 76 - HB3 GLU- 54 3.333% * 0.0105% (0.09 1.0 1.00 0.02 0.02) = 0.010% HA GLU- 107 - HB3 GLU- 54 3.333% * 0.0095% (0.08 1.0 1.00 0.02 0.02) = 0.010% HA ASN 119 - HB3 GLU- 54 3.333% * 0.0095% (0.08 1.0 1.00 0.02 0.02) = 0.010% HA ASP- 82 - HB3 GLU- 54 3.333% * 0.0062% (0.05 1.0 1.00 0.02 0.62) = 0.006% HA GLU- 75 - HB3 GLU- 54 3.333% * 0.0038% (0.03 1.0 1.00 0.02 0.02) = 0.004% Peak 3560 (3.85, 2.04, 29.25 ppm): 20 chemical-shift based assignments, quality = 0.462, support = 4.61, residual support = 67.6: O T HA GLU- 45 - HB2 GLU- 45 5.000% * 91.5441% (0.45 10.0 10.00 4.97 73.84) = 91.544% kept HB3 SER 88 - HB2 GLU- 45 5.000% * 6.5148% (0.75 1.0 1.00 0.86 0.21) = 6.515% kept T HD3 PRO 35 - HB2 GLU- 45 5.000% * 0.3443% (0.17 1.0 10.00 0.02 0.02) = 0.344% T HD2 PRO 116 - HB2 GLU- 45 5.000% * 0.2685% (0.13 1.0 10.00 0.02 0.02) = 0.268% T HA GLU- 45 - HB3 GLU- 54 5.000% * 0.2445% (0.12 1.0 10.00 0.02 0.02) = 0.245% HB2 SER 85 - HB2 GLU- 45 5.000% * 0.1453% (0.72 1.0 1.00 0.02 0.02) = 0.145% HA2 GLY 114 - HB2 GLU- 45 5.000% * 0.1393% (0.69 1.0 1.00 0.02 0.02) = 0.139% HB3 SER 77 - HB2 GLU- 45 5.000% * 0.1393% (0.69 1.0 1.00 0.02 0.02) = 0.139% HA LYS+ 117 - HB2 GLU- 45 5.000% * 0.1330% (0.66 1.0 1.00 0.02 0.02) = 0.133% HB3 SER 27 - HB2 GLU- 45 5.000% * 0.0985% (0.49 1.0 1.00 0.02 0.02) = 0.099% T HD3 PRO 35 - HB3 GLU- 54 5.000% * 0.0920% (0.05 1.0 10.00 0.02 0.02) = 0.092% T HD2 PRO 116 - HB3 GLU- 54 5.000% * 0.0717% (0.04 1.0 10.00 0.02 0.02) = 0.072% HB3 SER 88 - HB3 GLU- 54 5.000% * 0.0403% (0.20 1.0 1.00 0.02 0.02) = 0.040% HB2 SER 85 - HB3 GLU- 54 5.000% * 0.0388% (0.19 1.0 1.00 0.02 0.02) = 0.039% HA2 GLY 92 - HB2 GLU- 45 5.000% * 0.0387% (0.19 1.0 1.00 0.02 0.02) = 0.039% HB3 SER 77 - HB3 GLU- 54 5.000% * 0.0372% (0.18 1.0 1.00 0.02 0.02) = 0.037% HA2 GLY 114 - HB3 GLU- 54 5.000% * 0.0372% (0.18 1.0 1.00 0.02 0.02) = 0.037% HA LYS+ 117 - HB3 GLU- 54 5.000% * 0.0355% (0.18 1.0 1.00 0.02 0.02) = 0.036% HB3 SER 27 - HB3 GLU- 54 5.000% * 0.0263% (0.13 1.0 1.00 0.02 0.02) = 0.026% HA2 GLY 92 - HB3 GLU- 54 5.000% * 0.0103% (0.05 1.0 1.00 0.02 0.02) = 0.010% Reference assignment not found: HA GLU- 45 - HB3 GLU- 45 Peak 3563 (8.57, 4.04, 70.02 ppm): 4 chemical-shift based assignments, quality = 0.645, support = 2.23, residual support = 8.71: * HN THR 39 - HB THR 38 25.000% * 56.9318% (0.63 3.12 14.77) = 56.932% kept HN VAL 80 - HB THR 38 25.000% * 24.4205% (0.65 1.29 0.97) = 24.420% kept HN VAL 73 - HB THR 38 25.000% * 16.7857% (0.73 0.80 0.38) = 16.786% kept HN LYS+ 20 - HB THR 38 25.000% * 1.8620% (0.19 0.34 0.11) = 1.862% kept Peak 3564 (0.69, 3.92, 69.47 ppm): 10 chemical-shift based assignments, quality = 0.722, support = 1.77, residual support = 14.3: * O T QG2 THR 96 - HB THR 96 10.000% * 65.3698% (0.70 10.0 10.00 2.31 20.98) = 65.370% kept T QG2 VAL 94 - HB THR 96 10.000% * 25.6309% (0.79 1.0 10.00 0.69 0.56) = 25.631% kept QD1 ILE 19 - HB THR 96 10.000% * 4.7025% (0.84 1.0 1.00 1.19 5.73) = 4.702% kept HG12 ILE 19 - HB THR 96 10.000% * 3.4231% (0.76 1.0 1.00 0.96 5.73) = 3.423% kept QG2 ILE 48 - HB THR 96 10.000% * 0.3493% (0.89 1.0 1.00 0.08 0.02) = 0.349% QG2 ILE 101 - HB THR 96 10.000% * 0.3183% (0.88 1.0 1.00 0.08 0.02) = 0.318% QG1 VAL 65 - HB THR 96 10.000% * 0.0790% (0.84 1.0 1.00 0.02 0.02) = 0.079% QG2 ILE 68 - HB THR 96 10.000% * 0.0742% (0.79 1.0 1.00 0.02 0.02) = 0.074% QG1 VAL 62 - HB THR 96 10.000% * 0.0292% (0.31 1.0 1.00 0.02 0.02) = 0.029% HG LEU 74 - HB THR 96 10.000% * 0.0238% (0.25 1.0 1.00 0.02 0.02) = 0.024% Peak 3565 (2.62, 1.38, 29.95 ppm): 5 chemical-shift based assignments, quality = 0.84, support = 1.18, residual support = 32.7: * O T HE3 LYS+ 20 - HD3 LYS+ 20 20.000% * 94.8954% (0.85 10.0 10.00 1.24 34.46) = 94.895% kept T HB2 PHE 34 - HD3 LYS+ 20 20.000% * 4.9383% (0.65 1.0 10.00 0.14 0.26) = 4.938% kept HB2 ASP- 25 - HD3 LYS+ 20 20.000% * 0.0918% (0.82 1.0 1.00 0.02 0.02) = 0.092% HG2 MET 118 - HD3 LYS+ 20 20.000% * 0.0615% (0.55 1.0 1.00 0.02 0.02) = 0.062% HG2 PRO 112 - HD3 LYS+ 20 20.000% * 0.0130% (0.12 1.0 1.00 0.02 0.02) = 0.013% Peak 3567 (2.62, 1.41, 29.99 ppm): 10 chemical-shift based assignments, quality = 0.787, support = 1.18, residual support = 32.6: * O T HE3 LYS+ 20 - HD3 LYS+ 20 10.000% * 94.6219% (0.80 10.0 10.00 1.24 34.46) = 94.622% kept T HB2 PHE 34 - HD3 LYS+ 20 10.000% * 4.9241% (0.61 1.0 10.00 0.14 0.26) = 4.924% kept T HB2 PHE 34 - HD3 LYS+ 113 10.000% * 0.2120% (0.18 1.0 10.00 0.02 0.02) = 0.212% HB2 ASP- 25 - HD3 LYS+ 20 10.000% * 0.0915% (0.77 1.0 1.00 0.02 0.02) = 0.092% HG2 MET 118 - HD3 LYS+ 20 10.000% * 0.0613% (0.52 1.0 1.00 0.02 0.02) = 0.061% HE3 LYS+ 20 - HD3 LYS+ 113 10.000% * 0.0277% (0.23 1.0 1.00 0.02 0.02) = 0.028% HB2 ASP- 25 - HD3 LYS+ 113 10.000% * 0.0268% (0.23 1.0 1.00 0.02 0.02) = 0.027% HG2 MET 118 - HD3 LYS+ 113 10.000% * 0.0179% (0.15 1.0 1.00 0.02 0.02) = 0.018% HG2 PRO 112 - HD3 LYS+ 20 10.000% * 0.0130% (0.11 1.0 1.00 0.02 0.02) = 0.013% HG2 PRO 112 - HD3 LYS+ 113 10.000% * 0.0038% (0.03 1.0 1.00 0.02 3.89) = 0.004% Peak 3568 (9.53, 1.94, 32.81 ppm): 5 chemical-shift based assignments, quality = 0.178, support = 0.409, residual support = 1.04: HE1 TRP 51 - HB3 LYS+ 55 20.000% * 40.7165% (0.25 0.37 0.24) = 40.717% kept HE1 TRP 51 - HB2 PRO 35 20.000% * 28.5672% (0.19 0.33 0.02) = 28.567% kept HE1 TRP 51 - HB2 PRO 116 20.000% * 19.1623% (0.06 0.72 0.02) = 19.162% kept HE1 TRP 51 - HB VAL 13 20.000% * 11.1235% (0.10 0.24 8.37) = 11.123% kept HE1 TRP 51 - HB2 GLU- 75 20.000% * 0.4306% (0.05 0.02 0.12) = 0.431% Reference assignment not found: HE1 TRP 51 - HB3 PRO 59 Not enough quality. Peak unassigned. Peak 3569 (9.53, 1.78, 32.81 ppm): 2 chemical-shift based assignments, quality = 0.0604, support = 0.19, residual support = 0.684: HE1 TRP 51 - HB2 LYS+ 117 50.000% * 85.6019% (0.05 0.22 0.80) = 85.602% kept HE1 TRP 51 - HB3 LYS+ 63 50.000% * 14.3981% (0.10 0.02 0.02) = 14.398% kept Reference assignment not found: HE1 TRP 51 - HB2 PRO 59 Not enough support, support cutoff is 0.27 Peak unassigned. Peak 3570 (7.41, 1.79, 32.50 ppm): 2 chemical-shift based assignments, quality = 0.507, support = 3.86, residual support = 18.6: * HN GLU- 64 - HB3 LYS+ 63 50.000% * 78.0977% (0.50 4.60 22.86) = 78.098% kept HN THR 61 - HB3 LYS+ 63 50.000% * 21.9023% (0.54 1.20 3.19) = 21.902% kept Peak 3571 (7.92, 2.28, 33.13 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HN LYS+ 44 - HB2 LYS+ 44 Peak unassigned. Peak 3572 (8.24, 1.83, 32.48 ppm): 33 chemical-shift based assignments, quality = 0.461, support = 1.99, residual support = 12.5: HN GLY 58 - HB2 PRO 59 3.030% * 48.3309% (0.89 1.0 1.71 17.89) = 48.331% kept * O HN VAL 105 - HB2 PRO 104 3.030% * 40.3034% (0.06 10.0 2.77 9.44) = 40.303% kept HN VAL 94 - HB3 LYS+ 63 3.030% * 2.8478% (0.11 1.0 0.84 0.45) = 2.848% kept HN THR 106 - HB2 PRO 104 3.030% * 1.7229% (0.08 1.0 0.67 0.02) = 1.723% kept HN GLU- 45 - HB3 LYS+ 63 3.030% * 1.6724% (0.05 1.0 1.00 0.02) = 1.672% kept HN LEU 67 - HB2 PRO 59 3.030% * 0.5622% (0.88 1.0 0.02 0.80) = 0.562% HN LYS+ 81 - HB2 PRO 59 3.030% * 0.5622% (0.88 1.0 0.02 0.02) = 0.562% HN GLU- 12 - HB2 PRO 59 3.030% * 0.5366% (0.84 1.0 0.02 0.02) = 0.537% HN SER 49 - HB2 PRO 59 3.030% * 0.5366% (0.84 1.0 0.02 0.02) = 0.537% HN THR 106 - HB2 PRO 59 3.030% * 0.2984% (0.47 1.0 0.02 0.02) = 0.298% HN VAL 94 - HB2 PRO 59 3.030% * 0.2543% (0.40 1.0 0.02 0.02) = 0.254% HN ASP- 115 - HB2 PRO 59 3.030% * 0.2543% (0.40 1.0 0.02 0.02) = 0.254% HN VAL 105 - HB2 PRO 59 3.030% * 0.2332% (0.37 1.0 0.02 0.02) = 0.233% HN ALA 11 - HB2 PRO 59 3.030% * 0.1577% (0.25 1.0 0.02 0.02) = 0.158% HN GLY 58 - HB3 LYS+ 63 3.030% * 0.1505% (0.24 1.0 0.02 0.02) = 0.151% HN LYS+ 81 - HB3 LYS+ 63 3.030% * 0.1495% (0.24 1.0 0.02 0.02) = 0.150% HN LEU 67 - HB3 LYS+ 63 3.030% * 0.1495% (0.24 1.0 0.02 0.02) = 0.150% HN GLU- 12 - HB3 LYS+ 63 3.030% * 0.1427% (0.22 1.0 0.02 0.02) = 0.143% HN SER 49 - HB3 LYS+ 63 3.030% * 0.1427% (0.22 1.0 0.02 0.02) = 0.143% HN GLU- 45 - HB2 PRO 59 3.030% * 0.1263% (0.20 1.0 0.02 0.02) = 0.126% HN GLY 58 - HB2 PRO 104 3.030% * 0.0978% (0.15 1.0 0.02 0.02) = 0.098% HN LEU 67 - HB2 PRO 104 3.030% * 0.0972% (0.15 1.0 0.02 0.02) = 0.097% HN LYS+ 81 - HB2 PRO 104 3.030% * 0.0972% (0.15 1.0 0.02 0.02) = 0.097% HN GLU- 12 - HB2 PRO 104 3.030% * 0.0927% (0.15 1.0 0.02 0.02) = 0.093% HN SER 49 - HB2 PRO 104 3.030% * 0.0927% (0.15 1.0 0.02 0.02) = 0.093% HN THR 106 - HB3 LYS+ 63 3.030% * 0.0794% (0.12 1.0 0.02 0.02) = 0.079% HN ASP- 115 - HB3 LYS+ 63 3.030% * 0.0676% (0.11 1.0 0.02 0.02) = 0.068% HN VAL 105 - HB3 LYS+ 63 3.030% * 0.0620% (0.10 1.0 0.02 0.02) = 0.062% HN VAL 94 - HB2 PRO 104 3.030% * 0.0440% (0.07 1.0 0.02 0.02) = 0.044% HN ASP- 115 - HB2 PRO 104 3.030% * 0.0440% (0.07 1.0 0.02 0.02) = 0.044% HN ALA 11 - HB3 LYS+ 63 3.030% * 0.0419% (0.07 1.0 0.02 0.02) = 0.042% HN ALA 11 - HB2 PRO 104 3.030% * 0.0273% (0.04 1.0 0.02 0.02) = 0.027% HN GLU- 45 - HB2 PRO 104 3.030% * 0.0218% (0.03 1.0 0.02 0.02) = 0.022% Peak 3573 (8.42, 1.82, 32.48 ppm): 12 chemical-shift based assignments, quality = 0.508, support = 0.357, residual support = 0.379: HN LYS+ 117 - HB3 LYS+ 63 8.333% * 50.7929% (0.53 0.44 0.73) = 50.793% kept HN ARG+ 53 - HB3 LYS+ 63 8.333% * 37.3587% (0.49 0.35 0.02) = 37.359% kept HN LYS+ 117 - HB2 PRO 59 8.333% * 2.6964% (0.62 0.02 0.02) = 2.696% kept HN CYS 123 - HB2 PRO 59 8.333% * 2.5564% (0.59 0.02 0.02) = 2.556% kept HN ARG+ 53 - HB2 PRO 59 8.333% * 2.4726% (0.57 0.02 0.02) = 2.473% kept HN CYS 123 - HB3 LYS+ 63 8.333% * 2.1904% (0.50 0.02 0.02) = 2.190% kept HN LEU 74 - HB2 PRO 59 8.333% * 0.6346% (0.15 0.02 1.54) = 0.635% HN LEU 74 - HB3 LYS+ 63 8.333% * 0.5438% (0.12 0.02 0.02) = 0.544% HN LYS+ 117 - HB2 PRO 104 8.333% * 0.2433% (0.06 0.02 0.02) = 0.243% HN CYS 123 - HB2 PRO 104 8.333% * 0.2306% (0.05 0.02 0.02) = 0.231% HN ARG+ 53 - HB2 PRO 104 8.333% * 0.2231% (0.05 0.02 0.02) = 0.223% HN LEU 74 - HB2 PRO 104 8.333% * 0.0573% (0.01 0.02 0.02) = 0.057% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 3574 (4.28, 1.43, 32.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3575 (4.68, 1.95, 32.81 ppm): 30 chemical-shift based assignments, quality = 0.791, support = 1.98, residual support = 12.5: * O HA PRO 35 - HB2 PRO 35 3.333% * 98.8095% (0.80 10.0 2.00 12.64) = 98.810% kept HA ASN 89 - HB2 PRO 35 3.333% * 0.1223% (0.99 1.0 0.02 0.02) = 0.122% HA TYR 83 - HB2 PRO 35 3.333% * 0.1191% (0.97 1.0 0.02 0.02) = 0.119% HA ASN 89 - HB3 LYS+ 55 3.333% * 0.1150% (0.93 1.0 0.02 0.02) = 0.115% HA TYR 83 - HB3 LYS+ 55 3.333% * 0.1120% (0.91 1.0 0.02 0.02) = 0.112% HA PRO 35 - HB3 LYS+ 55 3.333% * 0.0929% (0.75 1.0 0.02 0.02) = 0.093% HA ASN 89 - HB VAL 13 3.333% * 0.0741% (0.60 1.0 0.02 0.10) = 0.074% HA TYR 83 - HB VAL 13 3.333% * 0.0721% (0.58 1.0 0.02 0.02) = 0.072% HA LYS+ 120 - HB2 PRO 35 3.333% * 0.0601% (0.49 1.0 0.02 0.02) = 0.060% HA PRO 35 - HB VAL 13 3.333% * 0.0599% (0.49 1.0 0.02 0.02) = 0.060% HA LYS+ 120 - HB3 LYS+ 55 3.333% * 0.0565% (0.46 1.0 0.02 0.02) = 0.056% HA LYS+ 120 - HB VAL 13 3.333% * 0.0364% (0.29 1.0 0.02 0.02) = 0.036% HA GLN 16 - HB2 PRO 35 3.333% * 0.0343% (0.28 1.0 0.02 0.02) = 0.034% HA GLN 16 - HB3 LYS+ 55 3.333% * 0.0323% (0.26 1.0 0.02 0.02) = 0.032% HA VAL 99 - HB2 PRO 35 3.333% * 0.0216% (0.18 1.0 0.02 0.02) = 0.022% HA GLN 16 - HB VAL 13 3.333% * 0.0208% (0.17 1.0 0.02 0.02) = 0.021% HA VAL 99 - HB3 LYS+ 55 3.333% * 0.0203% (0.16 1.0 0.02 0.02) = 0.020% HA ASN 89 - HB2 GLU- 75 3.333% * 0.0182% (0.15 1.0 0.02 0.02) = 0.018% HA TYR 83 - HB2 GLU- 75 3.333% * 0.0177% (0.14 1.0 0.02 0.17) = 0.018% HA ASN 89 - HB2 PRO 116 3.333% * 0.0160% (0.13 1.0 0.02 0.02) = 0.016% HA TYR 83 - HB2 PRO 116 3.333% * 0.0156% (0.13 1.0 0.02 0.02) = 0.016% HA PRO 35 - HB2 GLU- 75 3.333% * 0.0147% (0.12 1.0 0.02 0.02) = 0.015% HA VAL 99 - HB VAL 13 3.333% * 0.0131% (0.11 1.0 0.02 0.02) = 0.013% HA PRO 35 - HB2 PRO 116 3.333% * 0.0130% (0.11 1.0 0.02 0.02) = 0.013% HA LYS+ 120 - HB2 GLU- 75 3.333% * 0.0089% (0.07 1.0 0.02 0.02) = 0.009% HA LYS+ 120 - HB2 PRO 116 3.333% * 0.0079% (0.06 1.0 0.02 0.02) = 0.008% HA GLN 16 - HB2 GLU- 75 3.333% * 0.0051% (0.04 1.0 0.02 0.02) = 0.005% HA GLN 16 - HB2 PRO 116 3.333% * 0.0045% (0.04 1.0 0.02 0.02) = 0.005% HA VAL 99 - HB2 GLU- 75 3.333% * 0.0032% (0.03 1.0 0.02 0.02) = 0.003% HA VAL 99 - HB2 PRO 116 3.333% * 0.0028% (0.02 1.0 0.02 0.02) = 0.003% Peak 3577 (8.27, 2.26, 32.16 ppm): 15 chemical-shift based assignments, quality = 0.411, support = 0.444, residual support = 0.146: HN THR 106 - HB VAL 80 6.667% * 40.8658% (0.31 0.71 0.30) = 40.866% kept HN ASN 89 - HB3 PRO 112 6.667% * 36.5284% (0.57 0.34 0.02) = 36.528% kept HN ASP- 115 - HB VAL 80 6.667% * 5.8855% (0.37 0.09 0.02) = 5.885% kept HN ALA 91 - HB VAL 80 6.667% * 4.8353% (0.23 0.11 0.02) = 4.835% kept HN ASN 89 - HB VAL 80 6.667% * 3.0203% (0.81 0.02 0.02) = 3.020% kept HN ASP- 28 - HB VAL 80 6.667% * 2.2128% (0.60 0.02 0.02) = 2.213% kept HN ALA 91 - HB2 PRO 52 6.667% * 2.1368% (0.02 0.65 0.50) = 2.137% kept HN ASP- 28 - HB3 PRO 112 6.667% * 1.5554% (0.42 0.02 0.02) = 1.555% kept HN ASP- 115 - HB3 PRO 112 6.667% * 0.9603% (0.26 0.02 0.02) = 0.960% HN THR 106 - HB3 PRO 112 6.667% * 0.8039% (0.22 0.02 0.02) = 0.804% HN ALA 91 - HB3 PRO 112 6.667% * 0.5956% (0.16 0.02 0.02) = 0.596% HN ASN 89 - HB2 PRO 52 6.667% * 0.2339% (0.06 0.02 0.02) = 0.234% HN ASP- 28 - HB2 PRO 52 6.667% * 0.1714% (0.05 0.02 0.02) = 0.171% HN ASP- 115 - HB2 PRO 52 6.667% * 0.1058% (0.03 0.02 0.02) = 0.106% HN THR 106 - HB2 PRO 52 6.667% * 0.0886% (0.02 0.02 0.02) = 0.089% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 3578 (0.72, 2.35, 31.84 ppm): 20 chemical-shift based assignments, quality = 0.641, support = 1.76, residual support = 16.5: QG2 VAL 65 - HB2 GLU- 64 5.000% * 32.5548% (0.68 2.17 26.51) = 32.555% kept QG1 VAL 65 - HB2 GLU- 64 5.000% * 28.5902% (0.45 2.92 26.51) = 28.590% kept QD1 ILE 68 - HB2 GLU- 64 5.000% * 14.5313% (0.76 0.87 0.02) = 14.531% kept QG2 ILE 48 - HB2 GLU- 64 5.000% * 8.9867% (0.78 0.52 2.82) = 8.987% kept QG2 ILE 101 - HB2 GLU- 64 5.000% * 7.1195% (0.78 0.42 0.02) = 7.119% kept QG2 THR 96 - HB2 GLU- 64 5.000% * 5.0946% (0.64 0.36 0.02) = 5.095% kept HG LEU 74 - HB2 GLU- 64 5.000% * 2.1920% (0.99 0.10 0.02) = 2.192% kept QG1 VAL 40 - HB2 GLU- 64 5.000% * 0.3500% (0.80 0.02 0.02) = 0.350% HG3 LYS+ 66 - HB2 GLU- 64 5.000% * 0.1797% (0.41 0.02 0.02) = 0.180% HG3 LYS+ 44 - HB2 GLU- 64 5.000% * 0.1797% (0.41 0.02 0.02) = 0.180% HG LEU 74 - HB3 PRO 86 5.000% * 0.0328% (0.07 0.02 0.02) = 0.033% QG1 VAL 40 - HB3 PRO 86 5.000% * 0.0263% (0.06 0.02 0.02) = 0.026% QG2 ILE 48 - HB3 PRO 86 5.000% * 0.0259% (0.06 0.02 0.49) = 0.026% QG2 ILE 101 - HB3 PRO 86 5.000% * 0.0256% (0.06 0.02 0.11) = 0.026% QD1 ILE 68 - HB3 PRO 86 5.000% * 0.0251% (0.06 0.02 0.02) = 0.025% QG2 VAL 65 - HB3 PRO 86 5.000% * 0.0226% (0.05 0.02 0.02) = 0.023% QG2 THR 96 - HB3 PRO 86 5.000% * 0.0213% (0.05 0.02 0.02) = 0.021% QG1 VAL 65 - HB3 PRO 86 5.000% * 0.0147% (0.03 0.02 0.02) = 0.015% HG3 LYS+ 44 - HB3 PRO 86 5.000% * 0.0135% (0.03 0.02 0.02) = 0.014% HG3 LYS+ 66 - HB3 PRO 86 5.000% * 0.0135% (0.03 0.02 0.02) = 0.014% Peak 3579 (0.91, 2.35, 31.84 ppm): 24 chemical-shift based assignments, quality = 0.543, support = 0.817, residual support = 4.6: QG2 VAL 80 - HB2 GLU- 64 4.167% * 29.2123% (0.83 0.24 0.02) = 29.212% kept QG2 VAL 87 - HB3 PRO 86 4.167% * 22.4666% (0.05 3.04 20.31) = 22.467% kept QD1 LEU 67 - HB2 GLU- 64 4.167% * 16.0665% (0.83 0.13 0.16) = 16.066% kept HG12 ILE 68 - HB2 GLU- 64 4.167% * 10.2948% (0.64 0.11 0.02) = 10.295% kept HG3 LYS+ 117 - HB3 PRO 86 4.167% * 4.9876% (0.07 0.52 0.02) = 4.988% kept HG3 LYS+ 117 - HB2 GLU- 64 4.167% * 2.5611% (0.89 0.02 0.02) = 2.561% kept QG1 VAL 47 - HB2 GLU- 64 4.167% * 2.1824% (0.76 0.02 0.02) = 2.182% kept HG3 LYS+ 110 - HB2 GLU- 64 4.167% * 2.0737% (0.72 0.02 0.02) = 2.074% kept QG2 VAL 40 - HB2 GLU- 64 4.167% * 1.9616% (0.68 0.02 0.02) = 1.962% kept QG2 VAL 87 - HB2 GLU- 64 4.167% * 1.9616% (0.68 0.02 0.02) = 1.962% kept QG2 VAL 105 - HB2 GLU- 64 4.167% * 1.0718% (0.37 0.02 0.02) = 1.072% kept QD1 LEU 17 - HB2 GLU- 64 4.167% * 0.9741% (0.34 0.02 0.02) = 0.974% QG1 VAL 80 - HB2 GLU- 64 4.167% * 0.9741% (0.34 0.02 0.02) = 0.974% QG1 VAL 105 - HB2 GLU- 64 4.167% * 0.8814% (0.31 0.02 0.02) = 0.881% QG1 VAL 47 - HB3 PRO 86 4.167% * 0.7971% (0.06 0.10 0.02) = 0.797% HG3 LYS+ 110 - HB3 PRO 86 4.167% * 0.5944% (0.05 0.08 0.02) = 0.594% QD1 LEU 67 - HB3 PRO 86 4.167% * 0.1794% (0.06 0.02 0.02) = 0.179% QG2 VAL 80 - HB3 PRO 86 4.167% * 0.1794% (0.06 0.02 0.02) = 0.179% QG2 VAL 40 - HB3 PRO 86 4.167% * 0.1476% (0.05 0.02 0.02) = 0.148% HG12 ILE 68 - HB3 PRO 86 4.167% * 0.1390% (0.05 0.02 0.02) = 0.139% QG2 VAL 105 - HB3 PRO 86 4.167% * 0.0806% (0.03 0.02 0.02) = 0.081% QD1 LEU 17 - HB3 PRO 86 4.167% * 0.0733% (0.03 0.02 0.02) = 0.073% QG1 VAL 80 - HB3 PRO 86 4.167% * 0.0733% (0.03 0.02 0.02) = 0.073% QG1 VAL 105 - HB3 PRO 86 4.167% * 0.0663% (0.02 0.02 0.02) = 0.066% Peak 3581 (0.96, 2.06, 32.18 ppm): 21 chemical-shift based assignments, quality = 0.172, support = 1.97, residual support = 29.1: * O QG2 VAL 62 - HB VAL 62 4.762% * 89.5018% (0.16 10.0 2.16 32.46) = 89.502% kept QG2 VAL 99 - HB VAL 62 4.762% * 3.9785% (0.29 1.0 0.51 1.04) = 3.978% kept QG2 ILE 29 - HB VAL 62 4.762% * 2.6959% (0.21 1.0 0.47 0.02) = 2.696% kept QG2 VAL 73 - HB3 GLU- 75 4.762% * 2.4276% (0.35 1.0 0.26 0.02) = 2.428% kept QD1 LEU 17 - HB3 GLU- 75 4.762% * 0.3495% (0.11 1.0 0.11 0.25) = 0.349% QG2 VAL 99 - HB3 GLU- 75 4.762% * 0.2737% (0.50 1.0 0.02 0.02) = 0.274% QG2 ILE 29 - HB3 GLU- 75 4.762% * 0.2005% (0.37 1.0 0.02 0.02) = 0.201% QG2 VAL 62 - HB3 GLU- 75 4.762% * 0.1563% (0.29 1.0 0.02 0.02) = 0.156% QG2 VAL 73 - HB VAL 62 4.762% * 0.1086% (0.20 1.0 0.02 0.02) = 0.109% QG1 VAL 105 - HB3 GLU- 75 4.762% * 0.0689% (0.13 1.0 0.02 0.02) = 0.069% QG2 VAL 105 - HB3 GLU- 75 4.762% * 0.0546% (0.10 1.0 0.02 0.02) = 0.055% QG1 VAL 105 - HB VAL 62 4.762% * 0.0394% (0.07 1.0 0.02 0.02) = 0.039% QD1 LEU 17 - HB VAL 62 4.762% * 0.0352% (0.06 1.0 0.02 0.02) = 0.035% QG2 VAL 105 - HB VAL 62 4.762% * 0.0313% (0.06 1.0 0.02 0.02) = 0.031% QG2 VAL 99 - HB3 GLU- 64 4.762% * 0.0213% (0.04 1.0 0.02 0.02) = 0.021% QG2 ILE 29 - HB3 GLU- 64 4.762% * 0.0156% (0.03 1.0 0.02 0.02) = 0.016% QG2 VAL 73 - HB3 GLU- 64 4.762% * 0.0148% (0.03 1.0 0.02 0.02) = 0.015% QG2 VAL 62 - HB3 GLU- 64 4.762% * 0.0122% (0.02 1.0 0.02 3.47) = 0.012% QG1 VAL 105 - HB3 GLU- 64 4.762% * 0.0054% (0.01 1.0 0.02 0.02) = 0.005% QD1 LEU 17 - HB3 GLU- 64 4.762% * 0.0048% (0.01 1.0 0.02 0.02) = 0.005% QG2 VAL 105 - HB3 GLU- 64 4.762% * 0.0043% (0.01 1.0 0.02 0.02) = 0.004% Peak 3582 (0.75, 2.06, 32.18 ppm): 21 chemical-shift based assignments, quality = 0.274, support = 1.23, residual support = 3.23: HG3 LYS+ 44 - HB3 GLU- 75 4.762% * 42.9283% (0.41 1.59 3.27) = 42.928% kept QG1 VAL 40 - HB3 GLU- 75 4.762% * 13.7271% (0.21 0.99 0.87) = 13.727% kept QG2 ILE 101 - HB3 GLU- 75 4.762% * 10.1859% (0.09 1.77 1.35) = 10.186% kept HG3 LYS+ 66 - HB3 GLU- 75 4.762% * 7.2407% (0.41 0.27 0.02) = 7.241% kept QD1 ILE 68 - HB3 GLU- 75 4.762% * 5.7299% (0.23 0.38 0.02) = 5.730% kept QG2 ILE 48 - HB3 GLU- 75 4.762% * 5.4714% (0.23 0.36 0.02) = 5.471% kept QG2 ILE 48 - HB VAL 62 4.762% * 4.3239% (0.13 0.50 9.55) = 4.324% kept QG2 VAL 65 - HB3 GLU- 64 4.762% * 4.1278% (0.02 2.98 26.51) = 4.128% kept QG2 ILE 101 - HB VAL 62 4.762% * 2.3960% (0.05 0.73 0.80) = 2.396% kept QG2 ILE 48 - HB3 GLU- 64 4.762% * 1.2260% (0.02 1.04 2.82) = 1.226% kept QD1 ILE 68 - HB3 GLU- 64 4.762% * 0.5302% (0.02 0.45 0.02) = 0.530% QG2 ILE 101 - HB3 GLU- 64 4.762% * 0.4962% (0.01 1.11 0.02) = 0.496% QG2 VAL 65 - HB3 GLU- 75 4.762% * 0.3554% (0.27 0.02 0.02) = 0.355% HG3 LYS+ 44 - HB VAL 62 4.762% * 0.3097% (0.23 0.02 1.08) = 0.310% HG3 LYS+ 66 - HB VAL 62 4.762% * 0.3097% (0.23 0.02 0.02) = 0.310% QG2 VAL 65 - HB VAL 62 4.762% * 0.2035% (0.15 0.02 0.02) = 0.203% QD1 ILE 68 - HB VAL 62 4.762% * 0.1734% (0.13 0.02 0.02) = 0.173% QG1 VAL 40 - HB VAL 62 4.762% * 0.1590% (0.12 0.02 0.02) = 0.159% HG3 LYS+ 66 - HB3 GLU- 64 4.762% * 0.0421% (0.03 0.02 0.02) = 0.042% HG3 LYS+ 44 - HB3 GLU- 64 4.762% * 0.0421% (0.03 0.02 0.02) = 0.042% QG1 VAL 40 - HB3 GLU- 64 4.762% * 0.0216% (0.02 0.02 0.02) = 0.022% Peak 3583 (1.19, 1.44, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3584 (0.72, 1.63, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3585 (0.55, 1.63, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3586 (0.55, 1.44, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3587 (0.36, 1.63, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3588 (0.36, 1.44, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3589 (1.19, 1.63, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3590 (1.63, 1.63, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3591 (1.63, 1.44, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3592 (1.44, 1.63, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3593 (4.27, 1.63, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3594 (1.46, 1.61, 31.96 ppm): 11 chemical-shift based assignments, quality = 0.745, support = 5.25, residual support = 112.6: O HG3 PRO 52 - HB3 PRO 52 9.091% * 94.1457% (0.76 10.0 5.53 119.56) = 94.146% kept HB3 LEU 67 - HB3 PRO 52 9.091% * 3.7316% (0.71 1.0 0.84 0.14) = 3.732% kept HG LEU 90 - HB3 PRO 52 9.091% * 1.7099% (0.31 1.0 0.89 2.38) = 1.710% kept HG13 ILE 48 - HB3 PRO 52 9.091% * 0.1020% (0.82 1.0 0.02 0.02) = 0.102% HG3 LYS+ 60 - HB3 PRO 52 9.091% * 0.0965% (0.78 1.0 0.02 0.02) = 0.096% HG2 PRO 59 - HB3 PRO 52 9.091% * 0.0965% (0.78 1.0 0.02 0.02) = 0.096% HB3 LYS+ 44 - HB3 PRO 52 9.091% * 0.0348% (0.28 1.0 0.02 0.02) = 0.035% QB ALA 70 - HB3 PRO 52 9.091% * 0.0315% (0.25 1.0 0.02 0.02) = 0.031% HG3 LYS+ 113 - HB3 PRO 52 9.091% * 0.0202% (0.16 1.0 0.02 0.02) = 0.020% HG3 ARG+ 22 - HB3 PRO 52 9.091% * 0.0157% (0.13 1.0 0.02 0.02) = 0.016% HG3 LYS+ 55 - HB3 PRO 52 9.091% * 0.0157% (0.13 1.0 0.02 2.54) = 0.016% Peak 3595 (4.29, 1.61, 31.95 ppm): 15 chemical-shift based assignments, quality = 0.446, support = 3.76, residual support = 98.4: O HA PRO 52 - HB3 PRO 52 6.667% * 81.9977% (0.41 10.0 4.21 119.56) = 81.998% kept HA LEU 90 - HB3 PRO 52 6.667% * 14.2692% (0.67 1.0 2.12 2.38) = 14.269% kept HA VAL 122 - HB3 PRO 52 6.667% * 2.5904% (0.61 1.0 0.42 1.58) = 2.590% kept HA CYS 121 - HB3 PRO 52 6.667% * 0.1681% (0.84 1.0 0.02 0.02) = 0.168% HA THR 106 - HB3 PRO 52 6.667% * 0.1670% (0.83 1.0 0.02 0.02) = 0.167% HA ASP- 36 - HB3 PRO 52 6.667% * 0.1594% (0.79 1.0 0.02 0.02) = 0.159% HB3 CYS 121 - HB3 PRO 52 6.667% * 0.1594% (0.79 1.0 0.02 0.02) = 0.159% HA VAL 94 - HB3 PRO 52 6.667% * 0.0886% (0.44 1.0 0.02 0.02) = 0.089% HA ILE 29 - HB3 PRO 52 6.667% * 0.0820% (0.41 1.0 0.02 3.62) = 0.082% HA ARG+ 84 - HB3 PRO 52 6.667% * 0.0820% (0.41 1.0 0.02 0.02) = 0.082% HA SER 85 - HB3 PRO 52 6.667% * 0.0820% (0.41 1.0 0.02 0.02) = 0.082% HA ALA 93 - HB3 PRO 52 6.667% * 0.0520% (0.26 1.0 0.02 0.02) = 0.052% HA GLU- 56 - HB3 PRO 52 6.667% * 0.0468% (0.23 1.0 0.02 0.02) = 0.047% HA GLU- 64 - HB3 PRO 52 6.667% * 0.0295% (0.15 1.0 0.02 0.02) = 0.030% HA GLU- 75 - HB3 PRO 52 6.667% * 0.0260% (0.13 1.0 0.02 0.02) = 0.026% Peak 3596 (4.59, 1.71, 32.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3597 (1.45, 1.70, 32.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3598 (3.61, 2.18, 32.19 ppm): 6 chemical-shift based assignments, quality = 0.307, support = 4.08, residual support = 33.6: * O HD2 PRO 104 - HB3 PRO 104 16.667% * 84.7456% (0.27 10.0 1.00 4.53 38.96) = 84.746% kept HD2 PRO 112 - HB3 PRO 104 16.667% * 14.5420% (0.55 1.0 1.00 1.69 3.72) = 14.542% kept T HD2 PRO 112 - HB3 GLU- 75 16.667% * 0.3773% (0.12 1.0 10.00 0.02 0.30) = 0.377% T HD2 PRO 104 - HB3 GLU- 75 16.667% * 0.1853% (0.06 1.0 10.00 0.02 0.02) = 0.185% T HD2 PRO 31 - HB3 GLU- 75 16.667% * 0.1028% (0.03 1.0 10.00 0.02 0.02) = 0.103% HD2 PRO 31 - HB3 PRO 104 16.667% * 0.0470% (0.15 1.0 1.00 0.02 0.02) = 0.047% Peak 3599 (3.76, 1.85, 32.26 ppm): 6 chemical-shift based assignments, quality = 0.501, support = 5.03, residual support = 38.9: * O HD3 PRO 104 - HB2 PRO 104 16.667% * 99.8934% (0.50 10.0 5.04 38.96) = 99.893% kept HA LEU 43 - HB2 PRO 104 16.667% * 0.0491% (0.25 1.0 0.02 0.02) = 0.049% HD3 PRO 104 - HB2 PRO 59 16.667% * 0.0242% (0.12 1.0 0.02 0.02) = 0.024% HD3 PRO 104 - HB3 ARG+ 84 16.667% * 0.0144% (0.07 1.0 0.02 0.02) = 0.014% HA LEU 43 - HB2 PRO 59 16.667% * 0.0119% (0.06 1.0 0.02 0.02) = 0.012% HA LEU 43 - HB3 ARG+ 84 16.667% * 0.0071% (0.04 1.0 0.02 0.02) = 0.007% Peak 3600 (7.34, 7.37, 32.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3601 (7.34, 7.31, 32.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3602 (2.58, 2.58, 32.91 ppm): 1 diagonal assignment: * HB3 PRO 35 - HB3 PRO 35 (0.79) kept Peak 3603 (1.96, 2.58, 32.91 ppm): 14 chemical-shift based assignments, quality = 0.687, support = 2.64, residual support = 9.53: O HB2 PRO 35 - HB3 PRO 35 7.143% * 71.5389% (0.83 10.0 1.00 2.96 12.64) = 71.539% kept T HG2 PRO 112 - HB3 PRO 35 7.143% * 27.8990% (0.34 1.0 10.00 1.88 1.75) = 27.899% kept HG3 PRO 116 - HB3 PRO 35 7.143% * 0.0722% (0.83 1.0 1.00 0.02 0.02) = 0.072% HB VAL 13 - HB3 PRO 35 7.143% * 0.0720% (0.83 1.0 1.00 0.02 0.02) = 0.072% HB3 GLU- 109 - HB3 PRO 35 7.143% * 0.0697% (0.81 1.0 1.00 0.02 0.02) = 0.070% HG3 PRO 31 - HB3 PRO 35 7.143% * 0.0626% (0.72 1.0 1.00 0.02 0.02) = 0.063% HB3 LYS+ 55 - HB3 PRO 35 7.143% * 0.0603% (0.70 1.0 1.00 0.02 0.02) = 0.060% HB2 GLU- 75 - HB3 PRO 35 7.143% * 0.0467% (0.54 1.0 1.00 0.02 0.02) = 0.047% HB VAL 73 - HB3 PRO 35 7.143% * 0.0438% (0.51 1.0 1.00 0.02 0.02) = 0.044% HG3 PRO 104 - HB3 PRO 35 7.143% * 0.0380% (0.44 1.0 1.00 0.02 0.02) = 0.038% HB3 GLU- 56 - HB3 PRO 35 7.143% * 0.0297% (0.34 1.0 1.00 0.02 0.02) = 0.030% HB2 GLU- 10 - HB3 PRO 35 7.143% * 0.0246% (0.28 1.0 1.00 0.02 0.02) = 0.025% HB2 PRO 116 - HB3 PRO 35 7.143% * 0.0246% (0.28 1.0 1.00 0.02 0.02) = 0.025% HB2 PRO 86 - HB3 PRO 35 7.143% * 0.0180% (0.21 1.0 1.00 0.02 0.02) = 0.018% Peak 3605 (2.32, 2.32, 32.16 ppm): 2 diagonal assignments: * HB3 PRO 86 - HB3 PRO 86 (0.99) kept HB3 PRO 116 - HB3 PRO 116 (0.08) kept Peak 3606 (1.94, 1.94, 31.84 ppm): 1 diagonal assignment: HB2 GLU- 75 - HB2 GLU- 75 (0.78) kept Reference assignment not found: HB3 GLU- 75 - HB3 GLU- 75 Peak 3607 (1.96, 2.32, 32.25 ppm): 28 chemical-shift based assignments, quality = 0.248, support = 3.17, residual support = 18.2: O HG3 PRO 116 - HB3 PRO 116 3.571% * 48.0097% (0.32 10.0 2.81 16.46) = 48.010% kept O HB2 PRO 86 - HB3 PRO 86 3.571% * 33.5555% (0.22 10.0 3.97 22.64) = 33.556% kept * O HB2 PRO 116 - HB3 PRO 116 3.571% * 16.3765% (0.11 10.0 3.00 16.46) = 16.377% kept HB3 GLU- 56 - HB3 PRO 86 3.571% * 0.5334% (0.37 1.0 0.19 0.02) = 0.533% HG3 PRO 116 - HB3 PRO 86 3.571% * 0.1346% (0.90 1.0 0.02 0.02) = 0.135% HB VAL 13 - HB3 PRO 86 3.571% * 0.1343% (0.90 1.0 0.02 0.02) = 0.134% HB2 PRO 35 - HB3 PRO 86 3.571% * 0.1334% (0.89 1.0 0.02 0.02) = 0.133% HB3 GLU- 109 - HB3 PRO 86 3.571% * 0.1299% (0.87 1.0 0.02 0.02) = 0.130% HG3 PRO 31 - HB3 PRO 86 3.571% * 0.1167% (0.78 1.0 0.02 0.02) = 0.117% HB3 LYS+ 55 - HB3 PRO 86 3.571% * 0.1124% (0.75 1.0 0.02 0.02) = 0.112% HB2 GLU- 75 - HB3 PRO 86 3.571% * 0.0871% (0.58 1.0 0.02 0.02) = 0.087% HB VAL 73 - HB3 PRO 86 3.571% * 0.0816% (0.55 1.0 0.02 0.02) = 0.082% HG3 PRO 104 - HB3 PRO 86 3.571% * 0.0708% (0.47 1.0 0.02 0.02) = 0.071% HG2 PRO 112 - HB3 PRO 86 3.571% * 0.0554% (0.37 1.0 0.02 0.02) = 0.055% HB VAL 13 - HB3 PRO 116 3.571% * 0.0479% (0.32 1.0 0.02 0.02) = 0.048% HB2 PRO 35 - HB3 PRO 116 3.571% * 0.0476% (0.32 1.0 0.02 0.02) = 0.048% HB3 GLU- 109 - HB3 PRO 116 3.571% * 0.0463% (0.31 1.0 0.02 0.02) = 0.046% HB2 PRO 116 - HB3 PRO 86 3.571% * 0.0459% (0.31 1.0 0.02 0.02) = 0.046% HB2 GLU- 10 - HB3 PRO 86 3.571% * 0.0459% (0.31 1.0 0.02 0.02) = 0.046% HG3 PRO 31 - HB3 PRO 116 3.571% * 0.0416% (0.28 1.0 0.02 0.02) = 0.042% HB3 LYS+ 55 - HB3 PRO 116 3.571% * 0.0401% (0.27 1.0 0.02 0.02) = 0.040% HB2 GLU- 75 - HB3 PRO 116 3.571% * 0.0311% (0.21 1.0 0.02 0.02) = 0.031% HB VAL 73 - HB3 PRO 116 3.571% * 0.0291% (0.19 1.0 0.02 0.02) = 0.029% HG3 PRO 104 - HB3 PRO 116 3.571% * 0.0253% (0.17 1.0 0.02 0.02) = 0.025% HG2 PRO 112 - HB3 PRO 116 3.571% * 0.0198% (0.13 1.0 0.02 0.02) = 0.020% HB3 GLU- 56 - HB3 PRO 116 3.571% * 0.0197% (0.13 1.0 0.02 0.02) = 0.020% HB2 GLU- 10 - HB3 PRO 116 3.571% * 0.0164% (0.11 1.0 0.02 0.02) = 0.016% HB2 PRO 86 - HB3 PRO 116 3.571% * 0.0120% (0.08 1.0 0.02 0.02) = 0.012% Peak 3608 (2.36, 2.36, 34.32 ppm): 1 diagonal assignment: HB2 LYS+ 78 - HB2 LYS+ 78 (0.10) kept Peak 3609 (9.04, 2.40, 34.10 ppm): 2 chemical-shift based assignments, quality = 0.665, support = 4.56, residual support = 20.3: * HN THR 79 - HB2 LYS+ 78 50.000% * 89.8177% (0.67 5.01 22.64) = 89.818% kept HN GLY 30 - HB2 LYS+ 78 50.000% * 10.1823% (0.63 0.60 0.02) = 10.182% kept Peak 3610 (7.59, 2.40, 34.10 ppm): 6 chemical-shift based assignments, quality = 0.633, support = 5.41, residual support = 41.7: * O HN LYS+ 78 - HB2 LYS+ 78 16.667% * 99.7575% (0.63 10.0 5.43 41.77) = 99.757% kept HD21 ASN 15 - HB2 LYS+ 78 16.667% * 0.1090% (0.69 1.0 0.02 0.02) = 0.109% HN ASP- 25 - HB2 LYS+ 78 16.667% * 0.0585% (0.37 1.0 0.02 0.02) = 0.059% HN VAL 65 - HB2 LYS+ 78 16.667% * 0.0277% (0.18 1.0 0.02 0.02) = 0.028% HD22 ASN 119 - HB2 LYS+ 78 16.667% * 0.0277% (0.18 1.0 0.02 0.02) = 0.028% HD21 ASN 57 - HB2 LYS+ 78 16.667% * 0.0195% (0.12 1.0 0.02 0.02) = 0.019% Peak 3611 (6.71, 2.40, 34.10 ppm): 1 chemical-shift based assignment, quality = 0.197, support = 0.75, residual support = 0.75: * QE TYR 83 - HB2 LYS+ 78 100.000% *100.0000% (0.20 0.75 0.75) = 100.000% kept Not enough quality. Peak unassigned. Peak 3612 (4.56, 2.40, 34.10 ppm): 4 chemical-shift based assignments, quality = 0.513, support = 4.12, residual support = 41.7: * O HA LYS+ 78 - HB2 LYS+ 78 25.000% * 99.8182% (0.51 10.0 4.12 41.77) = 99.818% kept HA LEU 17 - HB2 LYS+ 78 25.000% * 0.1051% (0.54 1.0 0.02 0.02) = 0.105% HA ALA 103 - HB2 LYS+ 78 25.000% * 0.0424% (0.22 1.0 0.02 0.02) = 0.042% HA LYS+ 72 - HB2 LYS+ 78 25.000% * 0.0343% (0.18 1.0 0.02 0.02) = 0.034% Peak 3613 (2.40, 2.40, 34.10 ppm): 1 diagonal assignment: * HB2 LYS+ 78 - HB2 LYS+ 78 (0.46) kept Peak 3614 (7.36, 2.24, 33.78 ppm): 16 chemical-shift based assignments, quality = 0.664, support = 1.66, residual support = 26.0: * O HE22 GLN 102 - HG3 GLN 102 6.250% * 93.9682% (0.65 10.0 1.72 27.62) = 93.968% kept HE22 GLN 102 - HG3 GLN 16 6.250% * 5.6961% (0.90 1.0 0.75 1.71) = 5.696% kept HE22 GLN 102 - HG3 MET 126 6.250% * 0.0595% (0.35 1.0 0.02 0.02) = 0.060% HZ2 TRP 51 - HG3 GLN 16 6.250% * 0.0366% (0.22 1.0 0.02 0.30) = 0.037% HZ PHE 34 - HG3 GLN 16 6.250% * 0.0366% (0.22 1.0 0.02 0.02) = 0.037% QE PHE 34 - HG3 GLN 16 6.250% * 0.0366% (0.22 1.0 0.02 0.02) = 0.037% QE PHE 34 - HG3 GLN 102 6.250% * 0.0264% (0.16 1.0 0.02 0.02) = 0.026% HZ2 TRP 51 - HG3 GLN 102 6.250% * 0.0264% (0.16 1.0 0.02 0.02) = 0.026% HZ PHE 34 - HG3 GLN 102 6.250% * 0.0264% (0.16 1.0 0.02 0.02) = 0.026% HE22 GLN 102 - HG3 MET 97 6.250% * 0.0255% (0.15 1.0 0.02 0.02) = 0.026% HZ2 TRP 51 - HG3 MET 126 6.250% * 0.0144% (0.09 1.0 0.02 0.02) = 0.014% QE PHE 34 - HG3 MET 126 6.250% * 0.0144% (0.09 1.0 0.02 0.02) = 0.014% HZ PHE 34 - HG3 MET 126 6.250% * 0.0144% (0.09 1.0 0.02 0.02) = 0.014% QE PHE 34 - HG3 MET 97 6.250% * 0.0062% (0.04 1.0 0.02 0.02) = 0.006% HZ2 TRP 51 - HG3 MET 97 6.250% * 0.0062% (0.04 1.0 0.02 0.02) = 0.006% HZ PHE 34 - HG3 MET 97 6.250% * 0.0062% (0.04 1.0 0.02 0.02) = 0.006% Peak 3616 (7.36, 2.11, 33.78 ppm): 4 chemical-shift based assignments, quality = 0.308, support = 0.712, residual support = 1.62: HE22 GLN 102 - HG2 GLN 16 25.000% * 94.3611% (0.32 0.75 1.71) = 94.361% kept HZ PHE 34 - HG2 GLN 16 25.000% * 2.5160% (0.08 0.08 0.02) = 2.516% kept QE PHE 34 - HG2 GLN 16 25.000% * 2.5160% (0.08 0.08 0.02) = 2.516% kept HZ2 TRP 51 - HG2 GLN 16 25.000% * 0.6069% (0.08 0.02 0.30) = 0.607% Peak 3617 (8.19, 2.11, 33.78 ppm): 5 chemical-shift based assignments, quality = 0.249, support = 3.71, residual support = 56.2: HN GLN 16 - HG2 GLN 16 20.000% * 87.8488% (0.25 4.19 63.73) = 87.849% kept HN ALA 33 - HG2 GLN 16 20.000% * 7.0670% (0.30 0.28 2.54) = 7.067% kept HN SER 41 - HG2 GLN 16 20.000% * 3.3357% (0.13 0.31 0.02) = 3.336% kept HN ALA 11 - HG2 GLN 16 20.000% * 1.0885% (0.07 0.19 0.02) = 1.089% kept HN GLU- 45 - HG2 GLN 16 20.000% * 0.6600% (0.09 0.09 0.02) = 0.660% Peak 3618 (8.92, 2.11, 33.78 ppm): 4 chemical-shift based assignments, quality = 0.247, support = 0.465, residual support = 1.63: HN GLN 102 - HG2 GLN 16 25.000% * 95.2789% (0.25 0.49 1.71) = 95.279% kept HN PHE 21 - HG2 GLN 16 25.000% * 2.0228% (0.13 0.02 0.02) = 2.023% kept HN THR 96 - HG2 GLN 16 25.000% * 1.4985% (0.10 0.02 0.02) = 1.498% kept HN ARG+ 22 - HG2 GLN 16 25.000% * 1.1999% (0.08 0.02 0.02) = 1.200% kept Peak 3619 (9.07, 1.85, 34.49 ppm): 6 chemical-shift based assignments, quality = 0.952, support = 3.14, residual support = 30.5: * O HN LYS+ 66 - HB2 LYS+ 66 16.667% * 99.6963% (0.95 10.0 3.15 30.59) = 99.696% kept HN GLU- 54 - HB2 LYS+ 66 16.667% * 0.0977% (0.94 1.0 0.02 0.02) = 0.098% HN LYS+ 66 - HB3 LYS+ 60 16.667% * 0.0878% (0.84 1.0 0.02 0.02) = 0.088% HN GLU- 54 - HB3 LYS+ 60 16.667% * 0.0861% (0.82 1.0 0.02 0.02) = 0.086% HN LYS+ 66 - HB3 LYS+ 72 16.667% * 0.0162% (0.16 1.0 0.02 0.02) = 0.016% HN GLU- 54 - HB3 LYS+ 72 16.667% * 0.0159% (0.15 1.0 0.02 0.02) = 0.016% Peak 3620 (6.65, 2.11, 33.78 ppm): 1 chemical-shift based assignment, quality = 0.33, support = 0.75, residual support = 1.71: HE21 GLN 102 - HG2 GLN 16 100.000% *100.0000% (0.33 0.75 1.71) = 100.000% kept Peak 3621 (6.66, 2.24, 33.78 ppm): 4 chemical-shift based assignments, quality = 0.351, support = 1.67, residual support = 26.1: * O HE21 GLN 102 - HG3 GLN 102 25.000% * 94.2371% (0.34 10.0 1.73 27.62) = 94.237% kept HE21 GLN 102 - HG3 GLN 16 25.000% * 5.6781% (0.48 1.0 0.75 1.71) = 5.678% kept HE21 GLN 102 - HG3 MET 126 25.000% * 0.0593% (0.19 1.0 0.02 0.02) = 0.059% HE21 GLN 102 - HG3 MET 97 25.000% * 0.0255% (0.08 1.0 0.02 0.02) = 0.025% Peak 3622 (-0.03, 1.85, 33.99 ppm): 2 chemical-shift based assignments, quality = 0.845, support = 0.515, residual support = 0.365: * T QD1 LEU 74 - HB3 LYS+ 72 50.000% * 95.8729% (0.84 10.00 0.54 0.38) = 95.873% kept T QD1 LEU 74 - HB VAL 94 50.000% * 4.1271% (0.97 10.00 0.02 0.02) = 4.127% kept Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 3623 (0.02, 2.20, 34.10 ppm): 6 chemical-shift based assignments, quality = 0.588, support = 0.901, residual support = 5.31: * QG2 ILE 19 - HG3 MET 97 16.667% * 65.3439% (0.62 1.00 1.24 8.12) = 65.344% kept QG2 ILE 19 - HG2 MET 126 16.667% * 15.7934% (0.62 1.00 0.30 0.02) = 15.793% kept QG2 ILE 19 - HG3 MET 126 16.667% * 13.2537% (0.49 1.00 0.32 0.02) = 13.254% kept T QG2 ILE 19 - HG3 GLN 102 16.667% * 4.0535% (0.24 10.00 0.02 0.02) = 4.054% kept QG2 ILE 19 - HB VAL 99 16.667% * 1.0984% (0.65 1.00 0.02 0.02) = 1.098% kept QG2 ILE 19 - HG2 GLN 102 16.667% * 0.4570% (0.27 1.00 0.02 0.02) = 0.457% Peak 3625 (7.53, 1.67, 33.13 ppm): 1 chemical-shift based assignment, quality = 0.892, support = 3.52, residual support = 17.1: HN ASP- 82 - HB3 LYS+ 81 100.000% *100.0000% (0.89 3.52 17.12) = 100.000% kept Peak 3626 (8.25, 1.67, 33.13 ppm): 8 chemical-shift based assignments, quality = 0.684, support = 4.2, residual support = 44.5: * O HN LYS+ 81 - HB3 LYS+ 81 12.500% * 85.4974% (0.68 10.0 4.73 51.84) = 85.497% kept HN THR 106 - HB3 LYS+ 81 12.500% * 7.9109% (0.86 1.0 1.47 2.05) = 7.911% kept HN GLU- 12 - HB3 LYS+ 81 12.500% * 4.3359% (0.77 1.0 0.89 0.24) = 4.336% kept HN GLY 58 - HB3 LYS+ 81 12.500% * 0.9076% (0.58 1.0 0.25 0.02) = 0.908% HN SER 49 - HB3 LYS+ 81 12.500% * 0.7090% (0.43 1.0 0.26 0.02) = 0.709% HN ASP- 115 - HB3 LYS+ 81 12.500% * 0.4355% (0.82 1.0 0.08 0.02) = 0.436% HN ASN 89 - HB3 LYS+ 81 12.500% * 0.1181% (0.18 1.0 0.11 0.02) = 0.118% HN LEU 67 - HB3 LYS+ 81 12.500% * 0.0855% (0.68 1.0 0.02 0.02) = 0.085% Peak 3627 (3.68, 1.67, 33.13 ppm): 3 chemical-shift based assignments, quality = 0.402, support = 3.49, residual support = 44.1: * O T HA LYS+ 81 - HB3 LYS+ 81 33.333% * 84.9485% (0.43 10.0 10.00 3.99 51.84) = 84.948% kept T HB3 SER 69 - HB3 LYS+ 81 33.333% * 14.9527% (0.22 1.0 10.00 0.69 0.43) = 14.953% kept HB2 TRP 51 - HB3 LYS+ 81 33.333% * 0.0988% (0.50 1.0 1.00 0.02 0.02) = 0.099% Peak 3628 (1.67, 1.67, 33.13 ppm): 1 diagonal assignment: * HB3 LYS+ 81 - HB3 LYS+ 81 (0.89) kept Peak 3629 (7.76, 2.58, 32.91 ppm): 6 chemical-shift based assignments, quality = 0.804, support = 2.0, residual support = 2.75: * HN ALA 37 - HB3 PRO 35 16.667% * 56.8675% (0.81 2.72 4.45) = 56.867% kept HN SER 124 - HB3 PRO 35 16.667% * 25.3995% (0.82 1.20 0.47) = 25.400% kept HN VAL 125 - HB3 PRO 35 16.667% * 17.5130% (0.79 0.86 0.55) = 17.513% kept HN THR 46 - HB3 PRO 35 16.667% * 0.0856% (0.17 0.02 0.02) = 0.086% HN VAL 87 - HB3 PRO 35 16.667% * 0.0758% (0.15 0.02 0.02) = 0.076% HN ALA 42 - HB3 PRO 35 16.667% * 0.0586% (0.11 0.02 0.02) = 0.059% Peak 3630 (8.47, 3.07, 30.40 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3631 (8.85, 3.07, 30.40 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3632 (7.79, 2.86, 34.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3633 (8.82, 2.86, 34.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3634 (8.60, 1.37, 36.77 ppm): 5 chemical-shift based assignments, quality = 0.938, support = 4.17, residual support = 33.9: * O HN LYS+ 20 - HB3 LYS+ 20 20.000% * 98.5113% (0.95 10.0 4.23 34.46) = 98.511% kept HN THR 39 - HB3 LYS+ 20 20.000% * 0.8938% (0.41 1.0 0.43 0.50) = 0.894% HN VAL 80 - HB3 LYS+ 20 20.000% * 0.5493% (0.37 1.0 0.29 0.02) = 0.549% HN VAL 73 - HB3 LYS+ 20 20.000% * 0.0255% (0.25 1.0 0.02 0.02) = 0.025% HN SER 85 - HB3 LYS+ 20 20.000% * 0.0202% (0.20 1.0 0.02 0.02) = 0.020% Peak 3635 (4.96, 1.37, 36.77 ppm): 5 chemical-shift based assignments, quality = 0.775, support = 1.34, residual support = 4.83: HA HIS+ 98 - HB3 LYS+ 20 20.000% * 57.0218% (0.74 1.59 2.62) = 57.022% kept HA MET 97 - HB3 LYS+ 20 20.000% * 41.9745% (0.84 1.03 7.95) = 41.974% kept HA ILE 101 - HB3 LYS+ 20 20.000% * 0.4216% (0.43 0.02 0.02) = 0.422% HA SER 69 - HB3 LYS+ 20 20.000% * 0.3207% (0.33 0.02 0.02) = 0.321% HA ALA 33 - HB3 LYS+ 20 20.000% * 0.2614% (0.27 0.02 0.02) = 0.261% Reference assignment not found: HA PRO 31 - HB3 LYS+ 20 Peak 3636 (3.48, 1.37, 36.77 ppm): 5 chemical-shift based assignments, quality = 0.641, support = 1.19, residual support = 3.41: * T HD3 PRO 31 - HB3 LYS+ 20 20.000% * 89.5382% (0.67 10.00 1.20 3.80) = 89.538% kept HA1 GLY 30 - HB3 LYS+ 20 20.000% * 8.0283% (0.51 1.00 1.41 0.16) = 8.028% kept HA VAL 40 - HB3 LYS+ 20 20.000% * 1.2279% (0.33 1.00 0.33 0.02) = 1.228% kept HA1 GLY 71 - HB3 LYS+ 20 20.000% * 0.8638% (0.81 1.00 0.10 0.02) = 0.864% HA VAL 80 - HB3 LYS+ 20 20.000% * 0.3418% (0.36 1.00 0.08 0.02) = 0.342% Peak 3637 (1.95, 1.37, 36.77 ppm): 14 chemical-shift based assignments, quality = 0.707, support = 0.676, residual support = 1.19: T HB2 PRO 116 - HB3 LYS+ 20 7.143% * 38.5631% (0.55 10.00 0.33 0.29) = 38.563% kept * HG3 PRO 31 - HB3 LYS+ 20 7.143% * 27.2036% (0.96 1.00 1.32 3.80) = 27.204% kept HG3 PRO 116 - HB3 LYS+ 20 7.143% * 11.1763% (0.89 1.00 0.58 0.29) = 11.176% kept HB ILE 29 - HB3 LYS+ 20 7.143% * 7.7582% (0.24 1.00 1.50 0.14) = 7.758% kept T HB3 LYS+ 55 - HB3 LYS+ 20 7.143% * 4.0697% (0.95 10.00 0.02 0.02) = 4.070% kept T HB2 PRO 35 - HB3 LYS+ 20 7.143% * 4.0069% (0.94 10.00 0.02 0.02) = 4.007% kept T HB2 GLU- 75 - HB3 LYS+ 20 7.143% * 3.6015% (0.84 10.00 0.02 0.02) = 3.602% kept HG2 PRO 112 - HB3 LYS+ 20 7.143% * 2.3042% (0.38 1.00 0.28 0.02) = 2.304% kept HB VAL 13 - HB3 LYS+ 20 7.143% * 0.3724% (0.87 1.00 0.02 0.02) = 0.372% HB3 GLU- 109 - HB3 LYS+ 20 7.143% * 0.3325% (0.78 1.00 0.02 0.02) = 0.332% HB2 GLU- 10 - HB3 LYS+ 20 7.143% * 0.2351% (0.55 1.00 0.02 0.02) = 0.235% HB VAL 73 - HB3 LYS+ 20 7.143% * 0.1558% (0.36 1.00 0.02 0.02) = 0.156% HG3 PRO 104 - HB3 LYS+ 20 7.143% * 0.1281% (0.30 1.00 0.02 0.02) = 0.128% HB3 GLU- 56 - HB3 LYS+ 20 7.143% * 0.0924% (0.22 1.00 0.02 0.02) = 0.092% Peak 3639 (1.14, 1.89, 37.09 ppm): 5 chemical-shift based assignments, quality = 0.81, support = 2.38, residual support = 5.24: * QB ALA 33 - HG2 GLU- 18 20.000% * 51.8678% (0.77 3.18 8.16) = 51.868% kept HG3 LYS+ 32 - HG2 GLU- 18 20.000% * 36.0781% (0.93 1.84 2.77) = 36.078% kept QG2 THR 61 - HG2 GLU- 18 20.000% * 7.0757% (0.47 0.71 0.02) = 7.076% kept HD3 LYS+ 111 - HG2 GLU- 18 20.000% * 4.8770% (0.86 0.27 0.02) = 4.877% kept HG3 PRO 59 - HG2 GLU- 18 20.000% * 0.1014% (0.24 0.02 0.02) = 0.101% Peak 3640 (0.84, 1.89, 37.09 ppm): 10 chemical-shift based assignments, quality = 0.667, support = 1.66, residual support = 10.7: QD2 LEU 17 - HG2 GLU- 18 10.000% * 29.1047% (0.43 1.00 3.13 33.07) = 29.105% kept * QG1 VAL 94 - HG2 GLU- 18 10.000% * 28.1795% (0.66 1.00 1.98 3.64) = 28.179% kept T QG1 VAL 13 - HG2 GLU- 18 10.000% * 18.5890% (0.89 10.00 0.10 0.02) = 18.589% kept QG2 VAL 13 - HG2 GLU- 18 10.000% * 17.6764% (0.86 1.00 0.95 0.02) = 17.676% kept T QD1 ILE 29 - HG2 GLU- 18 10.000% * 3.8337% (0.89 10.00 0.02 0.02) = 3.834% kept QG2 ILE 100 - HG2 GLU- 18 10.000% * 1.9135% (0.17 1.00 0.53 0.33) = 1.913% kept HG2 LYS+ 117 - HG2 GLU- 18 10.000% * 0.4153% (0.96 1.00 0.02 0.02) = 0.415% QD2 LEU 90 - HG2 GLU- 18 10.000% * 0.1417% (0.33 1.00 0.02 0.02) = 0.142% QD1 LEU 90 - HG2 GLU- 18 10.000% * 0.0822% (0.19 1.00 0.02 0.02) = 0.082% QD2 LEU 67 - HG2 GLU- 18 10.000% * 0.0641% (0.15 1.00 0.02 0.02) = 0.064% Peak 3641 (0.68, 1.89, 37.09 ppm): 9 chemical-shift based assignments, quality = 0.791, support = 3.01, residual support = 18.8: HG12 ILE 19 - HG2 GLU- 18 11.111% * 38.1872% (0.86 3.66 25.23) = 38.187% kept QD1 ILE 19 - HG2 GLU- 18 11.111% * 33.3126% (0.77 3.58 25.23) = 33.313% kept * QG2 VAL 94 - HG2 GLU- 18 11.111% * 18.4357% (0.84 1.83 3.64) = 18.436% kept QG2 ILE 101 - HG2 GLU- 18 11.111% * 7.5937% (0.64 0.98 0.52) = 7.594% kept QG2 THR 96 - HG2 GLU- 18 11.111% * 1.0674% (0.19 0.46 0.02) = 1.067% kept QG1 VAL 62 - HG2 GLU- 18 11.111% * 0.8908% (0.89 0.08 0.02) = 0.891% QG2 ILE 48 - HG2 GLU- 18 11.111% * 0.2315% (0.96 0.02 0.02) = 0.232% QG2 ILE 68 - HG2 GLU- 18 11.111% * 0.2018% (0.84 0.02 0.02) = 0.202% QG1 VAL 65 - HG2 GLU- 18 11.111% * 0.0793% (0.33 0.02 0.02) = 0.079% Peak 3642 (0.39, 2.13, 36.88 ppm): 2 chemical-shift based assignments, quality = 0.974, support = 2.3, residual support = 9.33: QD1 ILE 48 - HG2 GLU- 45 50.000% * 58.3088% (0.97 2.61 9.33) = 58.309% kept * HG12 ILE 48 - HG2 GLU- 45 50.000% * 41.6912% (0.97 1.87 9.33) = 41.691% kept Peak 3643 (4.23, 2.13, 36.90 ppm): 14 chemical-shift based assignments, quality = 0.748, support = 1.71, residual support = 2.22: T HA GLU- 10 - HG2 GLU- 45 7.143% * 35.7933% (0.83 10.00 1.53 0.85) = 35.793% kept T HB3 SER 49 - HG2 GLU- 45 7.143% * 27.3150% (0.48 10.00 2.46 4.72) = 27.315% kept T HA LYS+ 108 - HG2 GLU- 45 7.143% * 23.5728% (0.83 10.00 1.01 0.60) = 23.573% kept HA SER 49 - HG2 GLU- 45 7.143% * 7.2120% (0.99 1.00 2.59 4.72) = 7.212% kept * HA ALA 42 - HG2 GLU- 45 7.143% * 4.1749% (0.96 1.00 1.54 3.50) = 4.175% kept HA GLU- 109 - HG2 GLU- 45 7.143% * 1.0044% (0.98 1.00 0.37 0.02) = 1.004% kept T HA GLU- 107 - HG2 GLU- 45 7.143% * 0.7400% (0.25 10.00 0.11 0.02) = 0.740% HA GLU- 54 - HG2 GLU- 45 7.143% * 0.0469% (0.83 1.00 0.02 0.02) = 0.047% HA GLU- 12 - HG2 GLU- 45 7.143% * 0.0429% (0.76 1.00 0.02 0.02) = 0.043% HA PRO 59 - HG2 GLU- 45 7.143% * 0.0318% (0.56 1.00 0.02 0.02) = 0.032% HA ALA 11 - HG2 GLU- 45 7.143% * 0.0191% (0.34 1.00 0.02 0.88) = 0.019% HA ASP- 82 - HG2 GLU- 45 7.143% * 0.0173% (0.31 1.00 0.02 0.02) = 0.017% HA ASN 76 - HG2 GLU- 45 7.143% * 0.0156% (0.28 1.00 0.02 0.02) = 0.016% HA ASN 119 - HG2 GLU- 45 7.143% * 0.0140% (0.25 1.00 0.02 0.02) = 0.014% Peak 3644 (4.23, 2.46, 36.90 ppm): 14 chemical-shift based assignments, quality = 0.878, support = 1.22, residual support = 1.67: * T HA ALA 42 - HG3 GLU- 45 7.143% * 27.2427% (0.96 10.00 1.20 3.50) = 27.243% kept T HA GLU- 10 - HG3 GLU- 45 7.143% * 26.8077% (0.83 10.00 1.37 0.85) = 26.808% kept T HA LYS+ 108 - HG3 GLU- 45 7.143% * 23.6466% (0.83 10.00 1.20 0.60) = 23.647% kept T HA GLU- 109 - HG3 GLU- 45 7.143% * 14.0669% (0.98 10.00 0.61 0.02) = 14.067% kept HA SER 49 - HG3 GLU- 45 7.143% * 4.6935% (0.99 1.00 2.01 4.72) = 4.693% kept HB3 SER 49 - HG3 GLU- 45 7.143% * 2.6693% (0.48 1.00 2.33 4.72) = 2.669% kept HA ALA 11 - HG3 GLU- 45 7.143% * 0.2918% (0.34 1.00 0.36 0.88) = 0.292% HA GLU- 12 - HG3 GLU- 45 7.143% * 0.1360% (0.76 1.00 0.08 0.02) = 0.136% T HA ASN 76 - HG3 GLU- 45 7.143% * 0.1307% (0.28 10.00 0.02 0.02) = 0.131% T HA GLU- 107 - HG3 GLU- 45 7.143% * 0.1172% (0.25 10.00 0.02 0.02) = 0.117% T HA ASN 119 - HG3 GLU- 45 7.143% * 0.1172% (0.25 10.00 0.02 0.02) = 0.117% HA GLU- 54 - HG3 GLU- 45 7.143% * 0.0393% (0.83 1.00 0.02 0.02) = 0.039% HA PRO 59 - HG3 GLU- 45 7.143% * 0.0266% (0.56 1.00 0.02 0.02) = 0.027% HA ASP- 82 - HG3 GLU- 45 7.143% * 0.0145% (0.31 1.00 0.02 0.02) = 0.015% Peak 3645 (3.87, 2.46, 36.90 ppm): 9 chemical-shift based assignments, quality = 0.97, support = 4.28, residual support = 73.3: * O HA GLU- 45 - HG3 GLU- 45 11.111% * 99.3359% (0.98 10.0 4.31 73.84) = 99.336% kept HB3 SER 27 - HG3 GLU- 45 11.111% * 0.0978% (0.96 1.0 0.02 0.02) = 0.098% HD3 PRO 35 - HG3 GLU- 45 11.111% * 0.0909% (0.89 1.0 0.02 0.02) = 0.091% HD2 PRO 116 - HG3 GLU- 45 11.111% * 0.0846% (0.83 1.0 0.02 0.02) = 0.085% HA2 GLY 114 - HG3 GLU- 45 11.111% * 0.0811% (0.80 1.0 0.02 0.02) = 0.081% HB3 SER 77 - HG3 GLU- 45 11.111% * 0.0811% (0.80 1.0 0.02 0.02) = 0.081% HB2 SER 85 - HG3 GLU- 45 11.111% * 0.0774% (0.76 1.0 0.02 0.02) = 0.077% HD2 PRO 86 - HG3 GLU- 45 11.111% * 0.0774% (0.76 1.0 0.02 0.02) = 0.077% HB3 SER 88 - HG3 GLU- 45 11.111% * 0.0736% (0.72 1.0 0.02 0.21) = 0.074% Peak 3646 (0.96, 2.46, 36.90 ppm): 7 chemical-shift based assignments, quality = 0.592, support = 0.75, residual support = 0.709: QG2 VAL 99 - HG3 GLU- 45 14.286% * 29.1573% (0.94 0.64 0.58) = 29.157% kept QG2 VAL 73 - HG3 GLU- 45 14.286% * 25.2064% (0.56 0.93 1.63) = 25.206% kept QG2 ILE 29 - HG3 GLU- 45 14.286% * 16.1841% (0.60 0.56 0.15) = 16.184% kept * QG2 VAL 62 - HG3 GLU- 45 14.286% * 10.7368% (0.45 0.50 0.50) = 10.737% kept QG1 VAL 105 - HG3 GLU- 45 14.286% * 10.0080% (0.17 1.19 0.32) = 10.008% kept QG2 VAL 105 - HG3 GLU- 45 14.286% * 6.0650% (0.13 0.93 0.32) = 6.065% kept QD1 LEU 17 - HG3 GLU- 45 14.286% * 2.6425% (0.15 0.36 0.02) = 2.642% kept Peak 3647 (2.12, 2.46, 36.90 ppm): 11 chemical-shift based assignments, quality = 0.956, support = 3.33, residual support = 68.5: * O T HG2 GLU- 45 - HG3 GLU- 45 9.091% * 92.7782% (0.96 10.0 10.00 3.55 73.84) = 92.778% kept HB VAL 105 - HG3 GLU- 45 9.091% * 2.9480% (0.99 1.0 1.00 0.61 0.32) = 2.948% kept HB3 GLU- 75 - HG3 GLU- 45 9.091% * 2.5994% (0.88 1.0 1.00 0.61 0.11) = 2.599% kept HG2 PRO 112 - HG3 GLU- 45 9.091% * 1.3053% (0.88 1.0 1.00 0.31 0.28) = 1.305% kept HB2 GLU- 56 - HG3 GLU- 45 9.091% * 0.0862% (0.89 1.0 1.00 0.02 0.02) = 0.086% HB VAL 87 - HG3 GLU- 45 9.091% * 0.0834% (0.86 1.0 1.00 0.02 1.57) = 0.083% HB2 ASP- 28 - HG3 GLU- 45 9.091% * 0.0698% (0.72 1.0 1.00 0.02 0.02) = 0.070% HB3 LEU 43 - HG3 GLU- 45 9.091% * 0.0622% (0.64 1.0 1.00 0.02 0.02) = 0.062% HB3 LYS+ 78 - HG3 GLU- 45 9.091% * 0.0267% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB VAL 65 - HG3 GLU- 45 9.091% * 0.0240% (0.25 1.0 1.00 0.02 0.02) = 0.024% HB VAL 47 - HG3 GLU- 45 9.091% * 0.0168% (0.17 1.0 1.00 0.02 0.19) = 0.017% Peak 3648 (2.46, 2.46, 36.90 ppm): 1 diagonal assignment: * HG3 GLU- 45 - HG3 GLU- 45 (0.99) kept Peak 3649 (2.13, 2.13, 36.97 ppm): 1 diagonal assignment: * HG2 GLU- 45 - HG2 GLU- 45 (0.92) kept Peak 3650 (4.93, 2.21, 36.97 ppm): 6 chemical-shift based assignments, quality = 0.532, support = 1.68, residual support = 6.28: HA ALA 33 - HG3 GLU- 18 16.667% * 75.4341% (0.58 1.95 8.16) = 75.434% kept HA ILE 101 - HG3 GLU- 18 16.667% * 23.7400% (0.41 0.87 0.52) = 23.740% kept HA ALA 33 - HG3 GLU- 109 16.667% * 0.2832% (0.21 0.02 0.02) = 0.283% HA HIS+ 98 - HG3 GLU- 18 16.667% * 0.2503% (0.19 0.02 0.02) = 0.250% HA ILE 101 - HG3 GLU- 109 16.667% * 0.2007% (0.15 0.02 0.02) = 0.201% HA HIS+ 98 - HG3 GLU- 109 16.667% * 0.0918% (0.07 0.02 0.02) = 0.092% Peak 3651 (4.47, 2.21, 36.97 ppm): 16 chemical-shift based assignments, quality = 0.7, support = 1.24, residual support = 1.59: * HA LYS+ 32 - HG3 GLU- 18 6.250% * 47.4431% (0.61 1.87 2.77) = 47.443% kept HA GLN 102 - HG3 GLU- 18 6.250% * 26.6160% (0.83 0.77 0.77) = 26.616% kept HA ILE 100 - HG3 GLU- 18 6.250% * 22.7262% (0.83 0.66 0.33) = 22.726% kept HA MET 126 - HG3 GLU- 18 6.250% * 0.6251% (0.75 0.02 0.02) = 0.625% HA GLU- 50 - HG3 GLU- 18 6.250% * 0.5062% (0.61 0.02 0.02) = 0.506% HA MET 118 - HG3 GLU- 18 6.250% * 0.3667% (0.44 0.02 0.02) = 0.367% HA GLN 102 - HG3 GLU- 109 6.250% * 0.2533% (0.31 0.02 0.02) = 0.253% HA ILE 100 - HG3 GLU- 109 6.250% * 0.2533% (0.31 0.02 0.02) = 0.253% HA MET 126 - HG3 GLU- 109 6.250% * 0.2292% (0.28 0.02 0.02) = 0.229% HA GLU- 50 - HG3 GLU- 109 6.250% * 0.1856% (0.22 0.02 0.02) = 0.186% HA LYS+ 32 - HG3 GLU- 109 6.250% * 0.1856% (0.22 0.02 0.02) = 0.186% HA CYS 123 - HG3 GLU- 18 6.250% * 0.1738% (0.21 0.02 0.02) = 0.174% HA SER 77 - HG3 GLU- 18 6.250% * 0.1738% (0.21 0.02 0.02) = 0.174% HA MET 118 - HG3 GLU- 109 6.250% * 0.1345% (0.16 0.02 0.02) = 0.134% HA SER 77 - HG3 GLU- 109 6.250% * 0.0637% (0.08 0.02 0.02) = 0.064% HA CYS 123 - HG3 GLU- 109 6.250% * 0.0637% (0.08 0.02 0.02) = 0.064% Peak 3652 (4.93, 1.89, 37.06 ppm): 3 chemical-shift based assignments, quality = 0.617, support = 1.73, residual support = 6.21: HA ALA 33 - HG2 GLU- 18 33.333% * 74.6217% (0.67 2.04 8.16) = 74.622% kept HA ILE 101 - HG2 GLU- 18 33.333% * 22.8562% (0.48 0.88 0.52) = 22.856% kept HA HIS+ 98 - HG2 GLU- 18 33.333% * 2.5221% (0.22 0.21 0.02) = 2.522% kept Peak 3653 (4.46, 1.89, 37.06 ppm): 8 chemical-shift based assignments, quality = 0.666, support = 1.2, residual support = 1.3: * HA LYS+ 32 - HG2 GLU- 18 12.500% * 34.9451% (0.44 1.99 2.77) = 34.945% kept HA GLN 102 - HG2 GLU- 18 12.500% * 34.1578% (0.82 1.04 0.77) = 34.158% kept HA ILE 100 - HG2 GLU- 18 12.500% * 21.1103% (0.82 0.64 0.33) = 21.110% kept HA MET 126 - HG2 GLU- 18 12.500% * 6.0911% (0.63 0.24 0.02) = 6.091% kept HA MET 118 - HG2 GLU- 18 12.500% * 2.6961% (0.78 0.09 0.02) = 2.696% kept HA GLU- 50 - HG2 GLU- 18 12.500% * 0.7415% (0.93 0.02 0.02) = 0.741% HB THR 24 - HG2 GLU- 18 12.500% * 0.1373% (0.17 0.02 0.02) = 0.137% HA LYS+ 111 - HG2 GLU- 18 12.500% * 0.1209% (0.15 0.02 0.02) = 0.121% Peak 3654 (1.28, 1.59, 36.44 ppm): 6 chemical-shift based assignments, quality = 0.9, support = 3.28, residual support = 36.4: * O T HG2 LYS+ 32 - HB3 LYS+ 32 16.667% * 95.5747% (0.92 10.0 10.00 3.42 38.07) = 95.575% kept HG13 ILE 101 - HB3 LYS+ 32 16.667% * 2.5668% (0.92 1.0 1.00 0.54 1.03) = 2.567% kept T HG2 LYS+ 81 - HB3 LYS+ 32 16.667% * 0.9992% (0.96 1.0 10.00 0.02 0.02) = 0.999% HB2 LYS+ 55 - HB3 LYS+ 32 16.667% * 0.7302% (0.48 1.0 1.00 0.29 1.22) = 0.730% HB3 LEU 74 - HB3 LYS+ 32 16.667% * 0.1033% (0.99 1.0 1.00 0.02 0.57) = 0.103% QB ALA 103 - HB3 LYS+ 32 16.667% * 0.0258% (0.25 1.0 1.00 0.02 0.02) = 0.026% Peak 3655 (1.13, 1.59, 36.44 ppm): 5 chemical-shift based assignments, quality = 0.936, support = 3.13, residual support = 36.3: * O HG3 LYS+ 32 - HB3 LYS+ 32 20.000% * 91.7479% (0.97 10.0 3.12 38.07) = 91.748% kept QB ALA 33 - HB3 LYS+ 32 20.000% * 8.0705% (0.52 1.0 3.28 17.04) = 8.071% kept HD3 LYS+ 111 - HB3 LYS+ 32 20.000% * 0.0936% (0.99 1.0 0.02 0.02) = 0.094% QG2 THR 61 - HB3 LYS+ 32 20.000% * 0.0715% (0.76 1.0 0.02 0.40) = 0.072% QG2 THR 79 - HB3 LYS+ 32 20.000% * 0.0164% (0.17 1.0 0.02 0.02) = 0.016% Peak 3656 (4.71, 2.05, 35.94 ppm): 12 chemical-shift based assignments, quality = 0.341, support = 0.761, residual support = 2.92: HA2 GLY 30 - HB3 PRO 31 8.333% * 38.1683% (0.37 0.98 5.90) = 38.168% kept HA THR 61 - HB3 PRO 31 8.333% * 33.6004% (0.35 0.91 0.30) = 33.600% kept HA LYS+ 20 - HB3 PRO 31 8.333% * 12.2093% (0.31 0.38 3.80) = 12.209% kept HA THR 39 - HB3 PRO 31 8.333% * 9.4585% (0.37 0.24 0.02) = 9.458% kept HA VAL 99 - HB ILE 101 8.333% * 3.7094% (0.15 0.24 2.72) = 3.709% kept HA VAL 99 - HB3 PRO 31 8.333% * 0.6489% (0.31 0.02 0.02) = 0.649% HA GLN 16 - HB3 PRO 31 8.333% * 0.5336% (0.26 0.02 0.02) = 0.534% HA THR 39 - HB ILE 101 8.333% * 0.3737% (0.18 0.02 0.02) = 0.374% HA2 GLY 30 - HB ILE 101 8.333% * 0.3737% (0.18 0.02 0.02) = 0.374% HA THR 61 - HB ILE 101 8.333% * 0.3543% (0.17 0.02 0.02) = 0.354% HA LYS+ 20 - HB ILE 101 8.333% * 0.3128% (0.15 0.02 0.02) = 0.313% HA GLN 16 - HB ILE 101 8.333% * 0.2572% (0.12 0.02 0.02) = 0.257% Peak 3657 (4.47, 2.05, 35.94 ppm): 18 chemical-shift based assignments, quality = 0.215, support = 3.21, residual support = 16.6: HA ILE 100 - HB ILE 101 5.556% * 40.3240% (0.17 4.44 19.28) = 40.324% kept HA GLN 102 - HB ILE 101 5.556% * 30.7246% (0.17 3.38 25.73) = 30.725% kept HA LYS+ 32 - HB3 PRO 31 5.556% * 26.3637% (0.35 1.46 3.55) = 26.364% kept HA MET 126 - HB3 PRO 31 5.556% * 0.3900% (0.37 0.02 0.02) = 0.390% HA ILE 100 - HB3 PRO 31 5.556% * 0.3772% (0.36 0.02 0.02) = 0.377% HA GLN 102 - HB3 PRO 31 5.556% * 0.3772% (0.36 0.02 0.02) = 0.377% HA GLU- 50 - HB3 PRO 31 5.556% * 0.1902% (0.18 0.02 0.02) = 0.190% HA MET 126 - HB ILE 101 5.556% * 0.1880% (0.18 0.02 0.02) = 0.188% HA CYS 123 - HB3 PRO 31 5.556% * 0.1752% (0.17 0.02 0.02) = 0.175% HA SER 77 - HB3 PRO 31 5.556% * 0.1752% (0.17 0.02 0.02) = 0.175% HA LYS+ 32 - HB ILE 101 5.556% * 0.1739% (0.17 0.02 1.03) = 0.174% HA MET 118 - HB3 PRO 31 5.556% * 0.1206% (0.12 0.02 0.02) = 0.121% HA GLU- 50 - HB ILE 101 5.556% * 0.0917% (0.09 0.02 0.02) = 0.092% HA CYS 123 - HB ILE 101 5.556% * 0.0845% (0.08 0.02 0.02) = 0.084% HA SER 77 - HB ILE 101 5.556% * 0.0845% (0.08 0.02 0.02) = 0.084% HB THR 79 - HB3 PRO 31 5.556% * 0.0684% (0.07 0.02 0.02) = 0.068% HA MET 118 - HB ILE 101 5.556% * 0.0581% (0.06 0.02 0.02) = 0.058% HB THR 79 - HB ILE 101 5.556% * 0.0330% (0.03 0.02 0.02) = 0.033% Peak 3658 (3.53, 2.05, 35.94 ppm): 6 chemical-shift based assignments, quality = 0.34, support = 0.37, residual support = 0.866: HA LYS+ 44 - HB3 PRO 31 16.667% * 88.3447% (0.35 0.42 0.98) = 88.345% kept HA1 GLY 26 - HB3 PRO 31 16.667% * 4.4742% (0.37 0.02 0.02) = 4.474% kept HA1 GLY 26 - HB ILE 101 16.667% * 2.1568% (0.18 0.02 0.02) = 2.157% kept HA LYS+ 44 - HB ILE 101 16.667% * 2.0448% (0.17 0.02 0.02) = 2.045% kept HB2 SER 69 - HB3 PRO 31 16.667% * 2.0104% (0.17 0.02 0.02) = 2.010% kept HB2 SER 69 - HB ILE 101 16.667% * 0.9691% (0.08 0.02 0.02) = 0.969% Peak 3659 (4.73, 1.96, 35.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3660 (3.49, 1.96, 35.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3661 (1.78, 1.96, 35.72 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3662 (1.78, 2.04, 35.72 ppm): 10 chemical-shift based assignments, quality = 0.169, support = 3.54, residual support = 34.4: O HG2 PRO 31 - HB3 PRO 31 10.000% * 98.3620% (0.17 10.0 1.00 3.60 34.96) = 98.362% kept T HB3 GLU- 18 - HB3 PRO 31 10.000% * 1.0375% (0.18 1.0 10.00 0.02 0.02) = 1.038% kept HG3 ARG+ 53 - HB3 PRO 31 10.000% * 0.1087% (0.19 1.0 1.00 0.02 0.02) = 0.109% HB2 ARG+ 84 - HB3 PRO 31 10.000% * 0.1075% (0.19 1.0 1.00 0.02 0.02) = 0.108% HG2 ARG+ 84 - HB3 PRO 31 10.000% * 0.1058% (0.18 1.0 1.00 0.02 0.02) = 0.106% HG3 LYS+ 63 - HB3 PRO 31 10.000% * 0.1012% (0.17 1.0 1.00 0.02 0.02) = 0.101% HB3 LYS+ 108 - HB3 PRO 31 10.000% * 0.0577% (0.10 1.0 1.00 0.02 0.02) = 0.058% HB3 LYS+ 63 - HB3 PRO 31 10.000% * 0.0577% (0.10 1.0 1.00 0.02 0.02) = 0.058% HD3 PRO 59 - HB3 PRO 31 10.000% * 0.0374% (0.06 1.0 1.00 0.02 0.02) = 0.037% HB2 LEU 17 - HB3 PRO 31 10.000% * 0.0244% (0.04 1.0 1.00 0.02 0.11) = 0.024% Peak 3663 (1.36, 2.04, 35.72 ppm): 7 chemical-shift based assignments, quality = 0.178, support = 1.77, residual support = 2.17: HB3 LYS+ 20 - HB3 PRO 31 14.286% * 56.5790% (0.18 2.72 3.80) = 56.579% kept HB3 LEU 17 - HB3 PRO 31 14.286% * 12.6257% (0.19 0.59 0.11) = 12.626% kept QB ALA 11 - HB3 PRO 31 14.286% * 11.9700% (0.18 0.59 0.02) = 11.970% kept HG3 LYS+ 81 - HB3 PRO 31 14.286% * 11.6744% (0.18 0.56 0.02) = 11.674% kept HG2 LYS+ 78 - HB3 PRO 31 14.286% * 3.8588% (0.13 0.26 0.02) = 3.859% kept QG2 THR 39 - HB3 PRO 31 14.286% * 3.1589% (0.09 0.30 0.02) = 3.159% kept HG13 ILE 68 - HB3 PRO 31 14.286% * 0.1333% (0.06 0.02 0.02) = 0.133% Not enough quality. Peak unassigned. Peak 3664 (1.36, 1.96, 35.72 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3665 (0.69, 1.96, 35.72 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3666 (0.70, 2.04, 35.72 ppm): 10 chemical-shift based assignments, quality = 0.173, support = 0.77, residual support = 0.265: QG2 ILE 101 - HB3 PRO 31 10.000% * 74.7104% (0.19 1.00 0.35) = 74.710% kept QD1 ILE 19 - HB3 PRO 31 10.000% * 6.3273% (0.15 0.11 0.02) = 6.327% kept HG12 ILE 19 - HB3 PRO 31 10.000% * 5.4278% (0.13 0.11 0.02) = 5.428% kept QG2 ILE 68 - HB3 PRO 31 10.000% * 4.1929% (0.14 0.08 0.02) = 4.193% kept QG1 VAL 62 - HB3 PRO 31 10.000% * 3.3468% (0.04 0.20 0.02) = 3.347% kept QG1 VAL 65 - HB3 PRO 31 10.000% * 1.4912% (0.19 0.02 0.02) = 1.491% kept QG2 ILE 48 - HB3 PRO 31 10.000% * 1.4432% (0.18 0.02 0.02) = 1.443% kept QG2 THR 96 - HB3 PRO 31 10.000% * 1.3493% (0.17 0.02 0.02) = 1.349% kept QG2 VAL 94 - HB3 PRO 31 10.000% * 1.0925% (0.14 0.02 0.02) = 1.093% kept HG LEU 74 - HB3 PRO 31 10.000% * 0.6185% (0.08 0.02 0.02) = 0.619% Not enough quality. Peak unassigned. Peak 3667 (4.25, 2.87, 38.31 ppm): 19 chemical-shift based assignments, quality = 0.277, support = 1.03, residual support = 0.802: * O HA ASN 76 - HB3 ASN 76 5.263% * 88.5634% (0.29 10.0 1.00 0.90) = 88.563% kept HA GLU- 75 - HB3 ASN 76 5.263% * 9.5928% (0.21 1.0 1.52 0.02) = 9.593% kept HA ALA 11 - HB3 ASN 76 5.263% * 0.1819% (0.30 1.0 0.02 0.02) = 0.182% HA PRO 59 - HB3 ASN 76 5.263% * 0.1771% (0.29 1.0 0.02 0.46) = 0.177% HA GLU- 107 - HB3 ASN 76 5.263% * 0.1736% (0.28 1.0 0.02 0.02) = 0.174% HA ASN 119 - HB3 ASN 76 5.263% * 0.1736% (0.28 1.0 0.02 0.02) = 0.174% HA GLU- 10 - HB3 ASN 76 5.263% * 0.1403% (0.23 1.0 0.02 0.02) = 0.140% HA LYS+ 108 - HB3 ASN 76 5.263% * 0.1403% (0.23 1.0 0.02 0.02) = 0.140% HA GLU- 54 - HB3 ASN 76 5.263% * 0.1403% (0.23 1.0 0.02 0.02) = 0.140% HA GLU- 64 - HB3 ASN 76 5.263% * 0.1187% (0.19 1.0 0.02 0.02) = 0.119% HA ALA 42 - HB3 ASN 76 5.263% * 0.1039% (0.17 1.0 0.02 0.02) = 0.104% HA SER 49 - HB3 ASN 76 5.263% * 0.0893% (0.15 1.0 0.02 0.02) = 0.089% HA GLU- 56 - HB3 ASN 76 5.263% * 0.0893% (0.15 1.0 0.02 0.02) = 0.089% HB3 SER 49 - HB3 ASN 76 5.263% * 0.0599% (0.10 1.0 0.02 0.02) = 0.060% HA GLU- 109 - HB3 ASN 76 5.263% * 0.0566% (0.09 1.0 0.02 0.02) = 0.057% HA PRO 52 - HB3 ASN 76 5.263% * 0.0510% (0.08 1.0 0.02 0.02) = 0.051% HA ARG+ 84 - HB3 ASN 76 5.263% * 0.0510% (0.08 1.0 0.02 0.02) = 0.051% HA SER 85 - HB3 ASN 76 5.263% * 0.0510% (0.08 1.0 0.02 0.02) = 0.051% HA VAL 94 - HB3 ASN 76 5.263% * 0.0458% (0.08 1.0 0.02 0.02) = 0.046% Peak 3668 (3.81, 2.87, 38.31 ppm): 6 chemical-shift based assignments, quality = 0.251, support = 0.02, residual support = 0.02: HB3 SER 41 - HB3 ASN 76 16.667% * 22.3742% (0.29 0.02 0.02) = 22.374% kept HD3 PRO 86 - HB3 ASN 76 16.667% * 20.4712% (0.27 0.02 0.02) = 20.471% kept HD3 PRO 112 - HB3 ASN 76 16.667% * 19.8001% (0.26 0.02 0.02) = 19.800% kept HD3 PRO 116 - HB3 ASN 76 16.667% * 19.0661% (0.25 0.02 0.02) = 19.066% kept HA2 GLY 92 - HB3 ASN 76 16.667% * 14.7664% (0.19 0.02 0.02) = 14.766% kept HA LYS+ 117 - HB3 ASN 76 16.667% * 3.5220% (0.05 0.02 0.02) = 3.522% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 3669 (4.75, 2.87, 38.31 ppm): 1 chemical-shift based assignment, quality = 0.0836, support = 0.02, residual support = 0.02: HA LYS+ 20 - HB3 ASN 76 100.000% *100.0000% (0.08 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 3670 (2.87, 2.87, 38.31 ppm): 1 diagonal assignment: * HB3 ASN 76 - HB3 ASN 76 (0.04) kept Peak 3671 (4.65, 2.33, 39.07 ppm): 4 chemical-shift based assignments, quality = 0.178, support = 2.57, residual support = 39.7: * O HA TYR 83 - HB2 TYR 83 25.000% * 99.5819% (0.18 10.0 2.58 39.83) = 99.582% kept HA LYS+ 120 - HB2 TYR 83 25.000% * 0.2101% (0.38 1.0 0.02 0.02) = 0.210% HA PRO 35 - HB2 TYR 83 25.000% * 0.1526% (0.27 1.0 0.02 0.02) = 0.153% HA ASN 89 - HB2 TYR 83 25.000% * 0.0554% (0.10 1.0 0.02 0.02) = 0.055% Peak 3672 (4.65, 3.35, 39.08 ppm): 4 chemical-shift based assignments, quality = 0.178, support = 2.57, residual support = 39.7: * O HA TYR 83 - HB3 TYR 83 25.000% * 99.5819% (0.18 10.0 2.58 39.83) = 99.582% kept HA LYS+ 120 - HB3 TYR 83 25.000% * 0.2101% (0.38 1.0 0.02 0.02) = 0.210% HA PRO 35 - HB3 TYR 83 25.000% * 0.1526% (0.27 1.0 0.02 0.02) = 0.153% HA ASN 89 - HB3 TYR 83 25.000% * 0.0554% (0.10 1.0 0.02 0.02) = 0.055% Peak 3673 (3.87, 1.74, 38.63 ppm): 9 chemical-shift based assignments, quality = 0.582, support = 1.57, residual support = 3.1: * HA GLU- 45 - HB ILE 48 11.111% * 27.2109% (0.66 2.26 9.33) = 27.211% kept HB2 SER 85 - HB ILE 48 11.111% * 21.6367% (0.52 2.30 1.67) = 21.637% kept HA2 GLY 114 - HB ILE 48 11.111% * 14.8053% (0.54 1.50 0.80) = 14.805% kept HB3 SER 27 - HB ILE 48 11.111% * 9.3904% (0.65 0.79 0.26) = 9.390% kept HD3 PRO 35 - HB ILE 48 11.111% * 8.0026% (0.61 0.73 0.22) = 8.003% kept HD2 PRO 86 - HB ILE 48 11.111% * 6.8677% (0.52 0.73 0.49) = 6.868% kept HD2 PRO 116 - HB ILE 48 11.111% * 5.2983% (0.56 0.52 0.02) = 5.298% kept HB3 SER 77 - HB ILE 48 11.111% * 3.6155% (0.54 0.37 0.02) = 3.615% kept HB3 SER 88 - HB ILE 48 11.111% * 3.1725% (0.49 0.36 0.02) = 3.173% kept Peak 3674 (3.43, 1.74, 38.63 ppm): 4 chemical-shift based assignments, quality = 0.64, support = 5.93, residual support = 142.5: * O T HA ILE 48 - HB ILE 48 25.000% * 94.7784% (0.65 10.0 10.00 6.19 149.82) = 94.778% kept HA VAL 62 - HB ILE 48 25.000% * 4.7898% (0.46 1.0 1.00 1.42 9.55) = 4.790% kept HA VAL 40 - HB ILE 48 25.000% * 0.4099% (0.17 1.0 1.00 0.33 0.02) = 0.410% HA VAL 80 - HB ILE 48 25.000% * 0.0219% (0.15 1.0 1.00 0.02 0.02) = 0.022% Peak 3675 (0.39, 1.74, 38.76 ppm): 2 chemical-shift based assignments, quality = 0.773, support = 5.54, residual support = 149.8: O T QD1 ILE 48 - HB ILE 48 50.000% * 50.0000% (0.77 10.0 10.00 5.84 149.82) = 50.000% kept * O HG12 ILE 48 - HB ILE 48 50.000% * 50.0000% (0.77 10.0 1.00 5.25 149.82) = 50.000% kept Peak 3676 (7.07, 3.35, 39.09 ppm): 2 chemical-shift based assignments, quality = 0.304, support = 2.0, residual support = 39.8: * O QD TYR 83 - HB3 TYR 83 50.000% * 99.9745% (0.30 10.0 2.00 39.83) = 99.975% kept QE PHE 21 - HB3 TYR 83 50.000% * 0.0255% (0.08 1.0 0.02 0.02) = 0.025% Peak 3677 (7.68, 3.35, 39.09 ppm): 1 chemical-shift based assignment, quality = 0.304, support = 4.66, residual support = 39.8: * O HN TYR 83 - HB3 TYR 83 100.000% *100.0000% (0.30 10.0 4.66 39.83) = 100.000% kept Peak 3678 (7.68, 2.33, 39.09 ppm): 1 chemical-shift based assignment, quality = 0.304, support = 4.66, residual support = 39.8: * O HN TYR 83 - HB2 TYR 83 100.000% *100.0000% (0.30 10.0 4.66 39.83) = 100.000% kept Peak 3679 (6.89, 2.74, 39.91 ppm): 3 chemical-shift based assignments, quality = 0.246, support = 2.27, residual support = 25.2: * O QD PHE 21 - HB3 PHE 21 33.333% * 99.8233% (0.25 10.0 2.28 25.27) = 99.823% kept HD21 ASN 119 - HB3 PHE 21 33.333% * 0.0883% (0.22 1.0 0.02 0.10) = 0.088% HD22 ASN 15 - HB3 PHE 21 33.333% * 0.0883% (0.22 1.0 0.02 0.02) = 0.088% Peak 3680 (8.97, 2.74, 39.91 ppm): 6 chemical-shift based assignments, quality = 0.104, support = 3.15, residual support = 15.2: * O HN PHE 21 - HB3 PHE 21 16.667% * 50.6908% (0.04 10.0 4.40 25.27) = 50.691% kept HN MET 97 - HB3 PHE 21 16.667% * 21.5501% (0.22 1.0 1.51 1.81) = 21.550% kept HN ARG+ 22 - HB3 PHE 21 16.667% * 15.7302% (0.07 1.0 3.44 10.51) = 15.730% kept HN ILE 19 - HB3 PHE 21 16.667% * 8.6175% (0.25 1.0 0.53 4.21) = 8.618% kept HN LEU 17 - HB3 PHE 21 16.667% * 3.0824% (0.17 1.0 0.27 0.02) = 3.082% kept HN THR 96 - HB3 PHE 21 16.667% * 0.3289% (0.06 1.0 0.09 0.02) = 0.329% Peak 3681 (6.89, 2.97, 39.90 ppm): 3 chemical-shift based assignments, quality = 0.322, support = 1.95, residual support = 24.4: * O QD PHE 21 - HB2 PHE 21 33.333% * 96.6959% (0.32 10.0 1.99 25.27) = 96.696% kept HD21 ASN 119 - HB2 PHE 21 33.333% * 3.2183% (0.29 1.0 0.75 0.10) = 3.218% kept HD22 ASN 15 - HB2 PHE 21 33.333% * 0.0858% (0.29 1.0 0.02 0.02) = 0.086% Peak 3682 (8.98, 2.97, 39.90 ppm): 3 chemical-shift based assignments, quality = 0.171, support = 1.05, residual support = 2.64: HN MET 97 - HB2 PHE 21 33.333% * 54.9521% (0.12 1.51 1.81) = 54.952% kept HN ILE 19 - HB2 PHE 21 33.333% * 39.1599% (0.25 0.53 4.21) = 39.160% kept HN LEU 17 - HB2 PHE 21 33.333% * 5.8880% (0.07 0.27 0.02) = 5.888% kept Reference assignment not found: HN PHE 21 - HB2 PHE 21 Not enough quality. Peak unassigned. Peak 3683 (7.63, 2.62, 40.25 ppm): 3 chemical-shift based assignments, quality = 0.482, support = 3.06, residual support = 21.8: * O HN ASP- 25 - HB2 ASP- 25 33.333% * 91.1794% (0.45 10.0 3.31 23.93) = 91.179% kept HD21 ASN 57 - HB2 ASP- 25 33.333% * 5.5361% (0.87 1.0 0.63 0.02) = 5.536% kept HD21 ASN 89 - HB2 ASP- 25 33.333% * 3.2845% (0.76 1.0 0.42 0.02) = 3.285% kept Peak 3684 (3.11, 2.62, 40.25 ppm): 5 chemical-shift based assignments, quality = 0.921, support = 2.0, residual support = 23.9: * O T HB3 ASP- 25 - HB2 ASP- 25 20.000% * 99.7752% (0.92 10.0 10.00 2.00 23.93) = 99.775% kept HE3 LYS+ 72 - HB2 ASP- 25 20.000% * 0.0656% (0.61 1.0 1.00 0.02 0.02) = 0.066% HE3 LYS+ 117 - HB2 ASP- 25 20.000% * 0.0612% (0.57 1.0 1.00 0.02 0.02) = 0.061% HE3 LYS+ 108 - HB2 ASP- 25 20.000% * 0.0612% (0.57 1.0 1.00 0.02 0.02) = 0.061% HA VAL 47 - HB2 ASP- 25 20.000% * 0.0369% (0.34 1.0 1.00 0.02 0.02) = 0.037% Peak 3685 (2.63, 2.62, 40.25 ppm): 1 diagonal assignment: * HB2 ASP- 25 - HB2 ASP- 25 (0.97) kept Peak 3686 (3.11, 3.10, 40.14 ppm): 1 diagonal assignment: * HB3 ASP- 25 - HB3 ASP- 25 (0.78) kept Peak 3687 (7.64, 3.10, 40.11 ppm): 3 chemical-shift based assignments, quality = 0.558, support = 0.02, residual support = 0.02: HD21 ASN 89 - HB3 ASP- 25 33.333% * 60.1709% (0.75 0.02 0.02) = 60.171% kept HD21 ASN 57 - HB3 ASP- 25 33.333% * 24.7920% (0.31 0.02 0.02) = 24.792% kept HN TYR 83 - HB3 ASP- 25 33.333% * 15.0371% (0.19 0.02 0.02) = 15.037% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 3688 (8.89, 2.64, 40.90 ppm): 6 chemical-shift based assignments, quality = 0.526, support = 3.72, residual support = 20.1: * O HN ASP- 36 - HB3 ASP- 36 16.667% * 99.8207% (0.53 10.0 3.73 20.13) = 99.821% kept HN GLN 102 - HB3 ASP- 36 16.667% * 0.0944% (0.50 1.0 0.02 0.02) = 0.094% HN ASP- 36 - HB3 ASP- 82 16.667% * 0.0295% (0.16 1.0 0.02 0.02) = 0.029% HN GLN 102 - HB3 ASP- 82 16.667% * 0.0279% (0.15 1.0 0.02 0.02) = 0.028% HN ILE 68 - HB3 ASP- 36 16.667% * 0.0212% (0.11 1.0 0.02 0.69) = 0.021% HN ILE 68 - HB3 ASP- 82 16.667% * 0.0063% (0.03 1.0 0.02 0.02) = 0.006% Peak 3689 (8.89, 2.53, 40.90 ppm): 3 chemical-shift based assignments, quality = 0.64, support = 3.93, residual support = 20.1: * O HN ASP- 36 - HB2 ASP- 36 33.333% * 99.8843% (0.64 10.0 3.93 20.13) = 99.884% kept HN GLN 102 - HB2 ASP- 36 33.333% * 0.0945% (0.61 1.0 0.02 0.02) = 0.094% HN ILE 68 - HB2 ASP- 36 33.333% * 0.0212% (0.14 1.0 0.02 0.69) = 0.021% Peak 3690 (7.75, 2.53, 40.90 ppm): 4 chemical-shift based assignments, quality = 0.706, support = 3.23, residual support = 15.6: * HN ALA 37 - HB2 ASP- 36 25.000% * 72.1976% (0.71 4.17 21.57) = 72.198% kept HN VAL 125 - HB2 ASP- 36 25.000% * 15.1521% (0.74 0.84 0.21) = 15.152% kept HN SER 124 - HB2 ASP- 36 25.000% * 12.4053% (0.67 0.75 0.24) = 12.405% kept HN ALA 42 - HB2 ASP- 36 25.000% * 0.2451% (0.50 0.02 0.02) = 0.245% Peak 3691 (7.75, 2.64, 40.90 ppm): 8 chemical-shift based assignments, quality = 0.577, support = 2.22, residual support = 14.2: * HN ALA 37 - HB3 ASP- 36 12.500% * 65.2893% (0.58 2.99 21.57) = 65.289% kept HN VAL 125 - HB3 ASP- 36 12.500% * 18.6182% (0.61 0.82 0.21) = 18.618% kept HN SER 124 - HB3 ASP- 36 12.500% * 15.3058% (0.55 0.73 0.24) = 15.306% kept HN ALA 42 - HB3 ASP- 36 12.500% * 0.3088% (0.41 0.02 0.02) = 0.309% HN VAL 125 - HB3 ASP- 82 12.500% * 0.1345% (0.18 0.02 0.02) = 0.135% HN ALA 37 - HB3 ASP- 82 12.500% * 0.1290% (0.17 0.02 0.02) = 0.129% HN SER 124 - HB3 ASP- 82 12.500% * 0.1231% (0.16 0.02 0.02) = 0.123% HN ALA 42 - HB3 ASP- 82 12.500% * 0.0912% (0.12 0.02 0.02) = 0.091% Peak 3692 (8.96, 1.92, 41.19 ppm): 12 chemical-shift based assignments, quality = 0.529, support = 3.29, residual support = 24.4: HN ARG+ 22 - HB ILE 29 8.333% * 42.5944% (0.69 3.31 20.80) = 42.594% kept * HN PHE 21 - HB ILE 29 8.333% * 32.9937% (0.51 3.47 27.92) = 32.994% kept HN ARG+ 22 - HB2 LEU 23 8.333% * 14.0724% (0.16 4.66 40.43) = 14.072% kept HN PHE 21 - HB2 LEU 23 8.333% * 3.9443% (0.12 1.76 1.89) = 3.944% kept HN LEU 17 - HB ILE 29 8.333% * 3.3237% (0.90 0.20 17.13) = 3.324% kept HN MET 97 - HB ILE 29 8.333% * 1.2916% (0.85 0.08 0.02) = 1.292% kept HN MET 97 - HB2 LEU 23 8.333% * 0.8996% (0.20 0.24 0.02) = 0.900% HN LEU 17 - HB2 LEU 23 8.333% * 0.3430% (0.21 0.09 0.13) = 0.343% HN THR 96 - HB ILE 29 8.333% * 0.2310% (0.62 0.02 0.02) = 0.231% HN ILE 19 - HB ILE 29 8.333% * 0.2040% (0.55 0.02 0.02) = 0.204% HN THR 96 - HB2 LEU 23 8.333% * 0.0543% (0.15 0.02 0.02) = 0.054% HN ILE 19 - HB2 LEU 23 8.333% * 0.0480% (0.13 0.02 0.02) = 0.048% Peak 3695 (7.97, 1.17, 41.87 ppm): 4 chemical-shift based assignments, quality = 0.63, support = 6.29, residual support = 176.9: * O HN LEU 43 - HB2 LEU 43 25.000% * 98.3107% (0.63 10.0 6.39 179.96) = 98.311% kept HN LEU 43 - HB2 LEU 74 25.000% * 1.5083% (0.61 1.0 0.32 1.31) = 1.508% kept HN LYS+ 72 - HB2 LEU 43 25.000% * 0.0922% (0.59 1.0 0.02 0.02) = 0.092% HN LYS+ 72 - HB2 LEU 74 25.000% * 0.0888% (0.57 1.0 0.02 0.38) = 0.089% Peak 3696 (7.01, 1.17, 41.87 ppm): 2 chemical-shift based assignments, quality = 0.15, support = 1.77, residual support = 8.19: * QE PHE 21 - HB2 LEU 43 50.000% * 84.2269% (0.15 2.03 9.69) = 84.227% kept QE PHE 21 - HB2 LEU 74 50.000% * 15.7731% (0.15 0.39 0.17) = 15.773% kept Peak 3697 (6.88, 1.17, 41.87 ppm): 8 chemical-shift based assignments, quality = 0.855, support = 1.52, residual support = 5.72: QD PHE 21 - HB2 LEU 43 12.500% * 40.9960% (0.92 1.80 9.69) = 40.996% kept HD21 ASN 119 - HB2 LEU 43 12.500% * 38.3251% (0.98 1.59 1.98) = 38.325% kept * HZ PHE 21 - HB2 LEU 43 12.500% * 10.0556% (0.27 1.50 9.69) = 10.056% kept QD PHE 21 - HB2 LEU 74 12.500% * 6.3732% (0.89 0.29 0.17) = 6.373% kept HD22 ASN 15 - HB2 LEU 43 12.500% * 3.3927% (0.55 0.25 0.02) = 3.393% kept HD21 ASN 119 - HB2 LEU 74 12.500% * 0.4649% (0.94 0.02 0.02) = 0.465% HD22 ASN 15 - HB2 LEU 74 12.500% * 0.2632% (0.53 0.02 0.02) = 0.263% HZ PHE 21 - HB2 LEU 74 12.500% * 0.1293% (0.26 0.02 0.17) = 0.129% Peak 3698 (7.97, 2.11, 41.87 ppm): 2 chemical-shift based assignments, quality = 0.642, support = 6.74, residual support = 176.7: * O HN LEU 43 - HB3 LEU 43 50.000% * 98.1965% (0.64 10.0 6.86 179.96) = 98.197% kept HN LYS+ 72 - HB3 LEU 43 50.000% * 1.8035% (0.60 1.0 0.39 0.02) = 1.803% kept Peak 3699 (7.02, 2.11, 41.87 ppm): 1 chemical-shift based assignment, quality = 0.248, support = 2.15, residual support = 9.69: * QE PHE 21 - HB3 LEU 43 100.000% *100.0000% (0.25 2.15 9.69) = 100.000% kept Peak 3700 (6.88, 2.11, 41.87 ppm): 4 chemical-shift based assignments, quality = 0.897, support = 1.44, residual support = 5.93: QD PHE 21 - HB3 LEU 43 25.000% * 45.3855% (0.99 1.60 9.69) = 45.386% kept HD21 ASN 119 - HB3 LEU 43 25.000% * 39.7165% (0.96 1.45 1.98) = 39.717% kept * HZ PHE 21 - HB3 LEU 43 25.000% * 7.6280% (0.17 1.53 9.69) = 7.628% kept HD22 ASN 15 - HB3 LEU 43 25.000% * 7.2699% (0.72 0.35 0.02) = 7.270% kept Peak 3701 (9.46, 1.62, 41.82 ppm): 1 chemical-shift based assignment, quality = 0.833, support = 3.22, residual support = 15.6: * HN HIS+ 98 - HB ILE 68 100.000% *100.0000% (0.83 3.22 15.60) = 100.000% kept Peak 3703 (9.05, 2.64, 41.23 ppm): 8 chemical-shift based assignments, quality = 0.376, support = 2.36, residual support = 7.21: * HN THR 79 - HB3 ASP- 82 12.500% * 66.8852% (0.35 3.16 10.55) = 66.885% kept HN GLU- 54 - HB3 ASP- 82 12.500% * 24.6973% (0.46 0.90 0.62) = 24.697% kept HN LYS+ 66 - HB3 ASP- 82 12.500% * 7.6589% (0.35 0.36 0.02) = 7.659% kept HN GLY 30 - HB3 ASP- 82 12.500% * 0.3487% (0.29 0.02 0.02) = 0.349% HN GLU- 54 - HB3 ASP- 36 12.500% * 0.1291% (0.11 0.02 0.02) = 0.129% HN LYS+ 66 - HB3 ASP- 36 12.500% * 0.0995% (0.08 0.02 0.02) = 0.100% HN THR 79 - HB3 ASP- 36 12.500% * 0.0995% (0.08 0.02 0.02) = 0.100% HN GLY 30 - HB3 ASP- 36 12.500% * 0.0819% (0.07 0.02 0.02) = 0.082% Peak 3704 (9.05, 2.17, 41.26 ppm): 4 chemical-shift based assignments, quality = 0.376, support = 1.28, residual support = 5.05: * HN THR 79 - HB2 ASP- 82 25.000% * 45.2338% (0.33 1.59 10.55) = 45.234% kept HN GLU- 54 - HB2 ASP- 82 25.000% * 43.9116% (0.43 1.19 0.62) = 43.912% kept HN LYS+ 66 - HB2 ASP- 82 25.000% * 10.3873% (0.33 0.37 0.02) = 10.387% kept HN GLY 30 - HB2 ASP- 82 25.000% * 0.4673% (0.27 0.02 0.02) = 0.467% Peak 3705 (8.26, 2.72, 41.54 ppm): 9 chemical-shift based assignments, quality = 0.465, support = 2.24, residual support = 18.6: * O HN ASP- 115 - HB3 ASP- 115 11.111% * 99.6387% (0.47 10.0 2.24 18.67) = 99.639% kept HN THR 106 - HB3 ASP- 115 11.111% * 0.0970% (0.45 1.0 0.02 0.02) = 0.097% HN GLU- 12 - HB3 ASP- 115 11.111% * 0.0569% (0.27 1.0 0.02 0.02) = 0.057% HN LYS+ 81 - HB3 ASP- 115 11.111% * 0.0451% (0.21 1.0 0.02 0.02) = 0.045% HN ASN 89 - HB3 ASP- 115 11.111% * 0.0451% (0.21 1.0 0.02 0.02) = 0.045% HN LEU 67 - HB3 ASP- 115 11.111% * 0.0451% (0.21 1.0 0.02 0.02) = 0.045% HN GLY 58 - HB3 ASP- 115 11.111% * 0.0343% (0.16 1.0 0.02 0.02) = 0.034% HN SER 49 - HB3 ASP- 115 11.111% * 0.0224% (0.10 1.0 0.02 0.02) = 0.022% HN ASP- 28 - HB3 ASP- 115 11.111% * 0.0155% (0.07 1.0 0.02 0.02) = 0.016% Peak 3706 (8.26, 2.53, 41.54 ppm): 9 chemical-shift based assignments, quality = 0.507, support = 2.22, residual support = 18.4: * O HN ASP- 115 - HB2 ASP- 115 11.111% * 98.4070% (0.51 10.0 2.24 18.67) = 98.407% kept HN GLY 58 - HB2 ASP- 115 11.111% * 1.2700% (0.18 1.0 0.75 0.02) = 1.270% kept HN THR 106 - HB2 ASP- 115 11.111% * 0.0958% (0.50 1.0 0.02 0.02) = 0.096% HN GLU- 12 - HB2 ASP- 115 11.111% * 0.0562% (0.29 1.0 0.02 0.02) = 0.056% HN ASN 89 - HB2 ASP- 115 11.111% * 0.0445% (0.23 1.0 0.02 0.02) = 0.045% HN LYS+ 81 - HB2 ASP- 115 11.111% * 0.0445% (0.23 1.0 0.02 0.02) = 0.045% HN LEU 67 - HB2 ASP- 115 11.111% * 0.0445% (0.23 1.0 0.02 0.02) = 0.045% HN SER 49 - HB2 ASP- 115 11.111% * 0.0221% (0.12 1.0 0.02 0.02) = 0.022% HN ASP- 28 - HB2 ASP- 115 11.111% * 0.0153% (0.08 1.0 0.02 0.02) = 0.015% Peak 3707 (4.86, 2.53, 41.54 ppm): 3 chemical-shift based assignments, quality = 0.516, support = 2.93, residual support = 18.6: * O HA ASP- 115 - HB2 ASP- 115 33.333% * 99.8798% (0.52 10.0 2.93 18.67) = 99.880% kept HA THR 96 - HB2 ASP- 115 33.333% * 0.0924% (0.48 1.0 0.02 0.02) = 0.092% HA ILE 19 - HB2 ASP- 115 33.333% * 0.0278% (0.14 1.0 0.02 0.02) = 0.028% Peak 3708 (4.86, 2.72, 41.54 ppm): 3 chemical-shift based assignments, quality = 0.47, support = 2.93, residual support = 18.6: * O HA ASP- 115 - HB3 ASP- 115 33.333% * 99.8798% (0.47 10.0 2.93 18.67) = 99.880% kept HA THR 96 - HB3 ASP- 115 33.333% * 0.0924% (0.44 1.0 0.02 0.02) = 0.092% HA ILE 19 - HB3 ASP- 115 33.333% * 0.0278% (0.13 1.0 0.02 0.02) = 0.028% Peak 3709 (5.08, 2.60, 42.79 ppm): 1 chemical-shift based assignment, quality = 0.391, support = 2.31, residual support = 23.7: * O HA PHE 34 - HB2 PHE 34 100.000% *100.0000% (0.39 10.0 2.31 23.73) = 100.000% kept Peak 3710 (7.33, 3.17, 42.79 ppm): 12 chemical-shift based assignments, quality = 0.616, support = 2.13, residual support = 23.0: * O QD PHE 34 - HB3 PHE 34 8.333% * 78.3756% (0.58 10.0 2.29 23.73) = 78.376% kept HZ PHE 34 - HB3 PHE 34 8.333% * 9.0270% (0.80 1.0 1.67 23.73) = 9.027% kept QE PHE 34 - HB3 PHE 34 8.333% * 9.0270% (0.80 1.0 1.67 23.73) = 9.027% kept HN VAL 47 - HB3 PHE 34 8.333% * 3.3633% (0.52 1.0 0.96 2.97) = 3.363% kept HZ2 TRP 51 - HB3 PHE 34 8.333% * 0.1079% (0.80 1.0 0.02 0.02) = 0.108% HN ARG+ 84 - HB3 PHE 34 8.333% * 0.0655% (0.48 1.0 0.02 2.40) = 0.065% HZ2 TRP 51 - HE3 LYS+ 108 8.333% * 0.0068% (0.05 1.0 0.02 0.02) = 0.007% QE PHE 34 - HE3 LYS+ 108 8.333% * 0.0068% (0.05 1.0 0.02 0.02) = 0.007% HZ PHE 34 - HE3 LYS+ 108 8.333% * 0.0068% (0.05 1.0 0.02 0.02) = 0.007% QD PHE 34 - HE3 LYS+ 108 8.333% * 0.0049% (0.04 1.0 0.02 0.02) = 0.005% HN VAL 47 - HE3 LYS+ 108 8.333% * 0.0044% (0.03 1.0 0.02 0.02) = 0.004% HN ARG+ 84 - HE3 LYS+ 108 8.333% * 0.0041% (0.03 1.0 0.02 0.02) = 0.004% Peak 3711 (8.77, 3.17, 42.79 ppm): 8 chemical-shift based assignments, quality = 0.636, support = 3.39, residual support = 23.4: * O HN PHE 34 - HB3 PHE 34 12.500% * 98.6214% (0.64 10.0 3.43 23.73) = 98.621% kept HN SER 69 - HB3 PHE 34 12.500% * 1.1787% (0.52 1.0 0.30 0.02) = 1.179% kept HN THR 95 - HB3 PHE 34 12.500% * 0.1029% (0.67 1.0 0.02 0.02) = 0.103% HN VAL 62 - HB3 PHE 34 12.500% * 0.0747% (0.48 1.0 0.02 0.02) = 0.075% HN THR 95 - HE3 LYS+ 108 12.500% * 0.0065% (0.04 1.0 0.02 0.02) = 0.006% HN PHE 34 - HE3 LYS+ 108 12.500% * 0.0062% (0.04 1.0 0.02 0.02) = 0.006% HN SER 69 - HE3 LYS+ 108 12.500% * 0.0050% (0.03 1.0 0.02 0.02) = 0.005% HN VAL 62 - HE3 LYS+ 108 12.500% * 0.0047% (0.03 1.0 0.02 0.02) = 0.005% Peak 3712 (8.78, 2.60, 42.79 ppm): 4 chemical-shift based assignments, quality = 0.389, support = 3.41, residual support = 23.6: * O HN PHE 34 - HB2 PHE 34 25.000% * 99.5440% (0.39 10.0 3.43 23.73) = 99.544% kept HN THR 95 - HB2 PHE 34 25.000% * 0.2041% (0.80 1.0 0.02 0.02) = 0.204% HN SER 69 - HB2 PHE 34 25.000% * 0.1888% (0.74 1.0 0.02 0.02) = 0.189% HN VAL 62 - HB2 PHE 34 25.000% * 0.0631% (0.25 1.0 0.02 0.02) = 0.063% Peak 3714 (4.79, 1.73, 41.57 ppm): 4 chemical-shift based assignments, quality = 0.698, support = 5.64, residual support = 120.0: * O HA LEU 23 - HB3 LEU 23 25.000% * 99.8251% (0.70 10.0 5.65 120.22) = 99.825% kept HA ASN 15 - HB3 LEU 23 25.000% * 0.0856% (0.60 1.0 0.02 0.02) = 0.086% HA GLU- 18 - HB3 LEU 23 25.000% * 0.0468% (0.33 1.0 0.02 0.02) = 0.047% HB THR 39 - HB3 LEU 23 25.000% * 0.0425% (0.30 1.0 0.02 0.02) = 0.043% Peak 3715 (4.79, 1.93, 41.57 ppm): 8 chemical-shift based assignments, quality = 0.696, support = 6.17, residual support = 119.7: * O HA LEU 23 - HB2 LEU 23 12.500% * 99.5671% (0.70 10.0 6.19 120.22) = 99.567% kept HA GLU- 18 - HB2 LEU 23 12.500% * 0.2025% (0.33 1.0 0.09 0.02) = 0.202% HA ASN 15 - HB2 LEU 23 12.500% * 0.0854% (0.60 1.0 0.02 0.02) = 0.085% HB THR 39 - HB2 LEU 23 12.500% * 0.0424% (0.30 1.0 0.02 0.02) = 0.042% HA LEU 23 - HB ILE 29 12.500% * 0.0373% (0.26 1.0 0.02 14.54) = 0.037% HA ASN 15 - HB ILE 29 12.500% * 0.0320% (0.22 1.0 0.02 0.59) = 0.032% HA GLU- 18 - HB ILE 29 12.500% * 0.0175% (0.12 1.0 0.02 0.02) = 0.017% HB THR 39 - HB ILE 29 12.500% * 0.0159% (0.11 1.0 0.02 0.02) = 0.016% Peak 3718 (0.28, 1.73, 41.57 ppm): 2 chemical-shift based assignments, quality = 0.756, support = 4.92, residual support = 118.1: * O QD2 LEU 23 - HB3 LEU 23 50.000% * 98.2747% (0.76 10.0 5.00 120.22) = 98.275% kept QG1 VAL 122 - HB3 LEU 23 50.000% * 1.7253% (0.70 1.0 0.38 0.02) = 1.725% kept Peak 3719 (0.28, 1.93, 41.56 ppm): 4 chemical-shift based assignments, quality = 0.65, support = 3.64, residual support = 73.1: * O T QD2 LEU 23 - HB2 LEU 23 25.000% * 58.0547% (0.83 10.0 10.00 5.25 120.22) = 58.055% kept T QD2 LEU 23 - HB ILE 29 25.000% * 22.3779% (0.32 1.0 10.00 2.01 14.54) = 22.378% kept T QG1 VAL 122 - HB ILE 29 25.000% * 10.7280% (0.29 1.0 10.00 1.04 0.45) = 10.728% kept T QG1 VAL 122 - HB2 LEU 23 25.000% * 8.8394% (0.76 1.0 10.00 0.33 0.02) = 8.839% kept Peak 3720 (0.61, 1.93, 41.56 ppm): 6 chemical-shift based assignments, quality = 0.356, support = 4.17, residual support = 89.6: * O T QD1 LEU 23 - HB2 LEU 23 16.667% * 71.4496% (0.43 10.0 10.00 5.12 120.22) = 71.450% kept T QD1 LEU 23 - HB ILE 29 16.667% * 25.6233% (0.16 1.0 10.00 1.86 14.54) = 25.623% kept QG2 ILE 48 - HB2 LEU 23 16.667% * 2.8390% (0.31 1.0 1.00 1.10 0.33) = 2.839% kept QG2 VAL 122 - HB2 LEU 23 16.667% * 0.0492% (0.29 1.0 1.00 0.02 0.02) = 0.049% QG2 ILE 48 - HB ILE 29 16.667% * 0.0199% (0.12 1.0 1.00 0.02 1.84) = 0.020% QG2 VAL 122 - HB ILE 29 16.667% * 0.0190% (0.11 1.0 1.00 0.02 0.45) = 0.019% Peak 3721 (0.62, 1.73, 41.57 ppm): 1 chemical-shift based assignment, quality = 0.4, support = 0.327, residual support = 0.327: T QG2 ILE 48 - HB3 LEU 23 100.000% *100.0000% (0.40 10.00 0.33 0.33) = 100.000% kept Reference assignment not found: QD1 LEU 23 - HB3 LEU 23 Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 3722 (4.58, 2.66, 41.22 ppm): 6 chemical-shift based assignments, quality = 0.504, support = 0.944, residual support = 0.857: * HA LYS+ 78 - HB3 ASP- 82 16.667% * 93.3515% (0.51 1.01 0.92) = 93.352% kept HA LYS+ 72 - HB3 ASP- 82 16.667% * 2.8497% (0.78 0.02 0.02) = 2.850% kept HA ASP- 25 - HB3 ASP- 82 16.667% * 1.8476% (0.51 0.02 0.02) = 1.848% kept HA LYS+ 72 - HB3 ASP- 36 16.667% * 0.8496% (0.23 0.02 0.02) = 0.850% HA LYS+ 78 - HB3 ASP- 36 16.667% * 0.5508% (0.15 0.02 0.02) = 0.551% HA ASP- 25 - HB3 ASP- 36 16.667% * 0.5508% (0.15 0.02 0.02) = 0.551% Peak 3723 (-0.07, 2.10, 41.75 ppm): 1 chemical-shift based assignment, quality = 0.117, support = 5.83, residual support = 180.0: * O T QD1 LEU 43 - HB3 LEU 43 100.000% *100.0000% (0.12 10.0 10.00 5.83 179.96) = 100.000% kept Peak 3724 (2.12, 2.10, 41.75 ppm): 1 diagonal assignment: * HB3 LEU 43 - HB3 LEU 43 (0.72) kept Peak 3725 (3.75, 2.10, 41.75 ppm): 2 chemical-shift based assignments, quality = 0.659, support = 5.48, residual support = 179.7: * O HA LEU 43 - HB3 LEU 43 50.000% * 99.8719% (0.66 10.0 5.49 179.96) = 99.872% kept HD3 PRO 104 - HB3 LEU 43 50.000% * 0.1281% (0.85 1.0 0.02 0.02) = 0.128% Peak 3726 (3.48, 2.10, 41.75 ppm): 5 chemical-shift based assignments, quality = 0.456, support = 1.5, residual support = 2.77: * HA VAL 40 - HB3 LEU 43 20.000% * 28.1802% (0.29 2.54 4.76) = 28.180% kept HA VAL 80 - HB3 LEU 43 20.000% * 22.3984% (0.32 1.84 4.17) = 22.398% kept HD3 PRO 31 - HB3 LEU 43 20.000% * 19.9242% (0.59 0.89 2.32) = 19.924% kept HA1 GLY 71 - HB3 LEU 43 20.000% * 17.8407% (0.72 0.66 0.14) = 17.841% kept HA1 GLY 30 - HB3 LEU 43 20.000% * 11.6566% (0.45 0.68 0.10) = 11.657% kept Peak 3727 (3.43, 1.16, 41.79 ppm): 8 chemical-shift based assignments, quality = 0.508, support = 2.06, residual support = 3.29: HA ILE 48 - HB2 LEU 43 12.500% * 32.8920% (0.84 1.30 1.60) = 32.892% kept HA VAL 62 - HB2 LEU 43 12.500% * 32.0882% (0.55 1.94 3.21) = 32.088% kept * HA VAL 40 - HB2 LEU 43 12.500% * 17.4139% (0.18 3.22 4.76) = 17.414% kept HA VAL 80 - HB2 LEU 43 12.500% * 14.2936% (0.16 2.99 4.17) = 14.294% kept HA VAL 40 - HB2 LEU 74 12.500% * 2.6646% (0.12 0.71 11.48) = 2.665% kept HA ILE 48 - HB2 LEU 74 12.500% * 0.3506% (0.58 0.02 0.02) = 0.351% HA VAL 62 - HB2 LEU 74 12.500% * 0.2304% (0.38 0.02 0.02) = 0.230% HA VAL 80 - HB2 LEU 74 12.500% * 0.0665% (0.11 0.02 0.02) = 0.067% Peak 3728 (3.49, 3.48, 42.75 ppm): 1 diagonal assignment: * HA1 GLY 30 - HA1 GLY 30 (0.83) kept Peak 3729 (3.16, 3.16, 43.82 ppm): 1 diagonal assignment: * HD3 ARG+ 84 - HD3 ARG+ 84 (0.57) kept Peak 3730 (3.71, 3.16, 43.82 ppm): 4 chemical-shift based assignments, quality = 0.56, support = 1.57, residual support = 6.14: * T HA LYS+ 81 - HD3 ARG+ 84 25.000% * 80.2739% (0.54 10.00 1.50 6.94) = 80.274% kept HB3 SER 69 - HD3 ARG+ 84 25.000% * 14.8582% (0.72 1.00 2.07 3.49) = 14.858% kept HB2 TRP 51 - HD3 ARG+ 84 25.000% * 4.8247% (0.47 1.00 1.02 1.04) = 4.825% kept HA LEU 43 - HD3 ARG+ 84 25.000% * 0.0432% (0.22 1.00 0.02 0.02) = 0.043% Peak 3731 (2.63, 2.64, 43.40 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3732 (2.63, 2.46, 43.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3733 (2.46, 2.46, 43.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3734 (2.47, 2.64, 43.40 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3735 (1.63, 2.65, 41.23 ppm): 20 chemical-shift based assignments, quality = 0.777, support = 1.07, residual support = 1.42: HG LEU 23 - HB3 ASP- 82 5.000% * 30.0308% (0.96 1.36 2.84) = 30.031% kept * HG3 LYS+ 78 - HB3 ASP- 82 5.000% * 20.6658% (0.64 1.40 0.92) = 20.666% kept HG2 ARG+ 22 - HB3 ASP- 82 5.000% * 16.8159% (0.72 1.01 1.60) = 16.816% kept HG12 ILE 101 - HB3 ASP- 82 5.000% * 13.6352% (0.92 0.65 0.69) = 13.635% kept HG3 ARG+ 84 - HB3 ASP- 82 5.000% * 6.8828% (0.22 1.35 0.14) = 6.883% kept HB ILE 68 - HB3 ASP- 82 5.000% * 5.3708% (0.89 0.26 0.02) = 5.371% kept HG LEU 43 - HB3 ASP- 82 5.000% * 5.1986% (0.89 0.25 0.02) = 5.199% kept HB VAL 122 - HB3 ASP- 82 5.000% * 0.4106% (0.89 0.02 0.02) = 0.411% HG2 LYS+ 110 - HB3 ASP- 82 5.000% * 0.1413% (0.31 0.02 0.02) = 0.141% HG LEU 23 - HB3 ASP- 36 5.000% * 0.1094% (0.24 0.02 0.02) = 0.109% HG12 ILE 101 - HB3 ASP- 36 5.000% * 0.1047% (0.23 0.02 0.02) = 0.105% HB VAL 122 - HB3 ASP- 36 5.000% * 0.1017% (0.22 0.02 0.02) = 0.102% HB ILE 68 - HB3 ASP- 36 5.000% * 0.1017% (0.22 0.02 0.69) = 0.102% HG LEU 43 - HB3 ASP- 36 5.000% * 0.1017% (0.22 0.02 0.02) = 0.102% HB3 PRO 52 - HB3 ASP- 82 5.000% * 0.0906% (0.20 0.02 0.02) = 0.091% HG2 ARG+ 22 - HB3 ASP- 36 5.000% * 0.0823% (0.18 0.02 0.02) = 0.082% HG3 LYS+ 78 - HB3 ASP- 36 5.000% * 0.0734% (0.16 0.02 0.02) = 0.073% HG2 LYS+ 110 - HB3 ASP- 36 5.000% * 0.0350% (0.08 0.02 0.02) = 0.035% HG3 ARG+ 84 - HB3 ASP- 36 5.000% * 0.0252% (0.05 0.02 0.02) = 0.025% HB3 PRO 52 - HB3 ASP- 36 5.000% * 0.0224% (0.05 0.02 0.02) = 0.022% Peak 3736 (1.64, 2.17, 41.26 ppm): 12 chemical-shift based assignments, quality = 0.67, support = 1.79, residual support = 1.61: HG2 ARG+ 22 - HB2 ASP- 82 8.333% * 39.0993% (0.86 2.24 1.60) = 39.099% kept HG LEU 23 - HB2 ASP- 82 8.333% * 29.9521% (0.65 2.28 2.84) = 29.952% kept HG12 ILE 101 - HB2 ASP- 82 8.333% * 9.1375% (0.58 0.78 0.69) = 9.138% kept HG3 ARG+ 84 - HB2 ASP- 82 8.333% * 7.7954% (0.43 0.88 0.14) = 7.795% kept * HG3 LYS+ 78 - HB2 ASP- 82 8.333% * 6.5507% (0.30 1.06 0.92) = 6.551% kept HB VAL 122 - HB2 ASP- 82 8.333% * 3.2324% (0.54 0.29 0.02) = 3.232% kept HB3 LYS+ 66 - HB2 ASP- 82 8.333% * 1.9192% (0.27 0.34 0.02) = 1.919% kept HB ILE 68 - HB2 ASP- 82 8.333% * 1.0595% (0.54 0.10 0.02) = 1.060% kept HG LEU 43 - HB2 ASP- 82 8.333% * 1.0256% (0.54 0.09 0.02) = 1.026% kept HB ILE 100 - HB2 ASP- 82 8.333% * 0.1007% (0.25 0.02 0.02) = 0.101% HB3 MET 97 - HB2 ASP- 82 8.333% * 0.0716% (0.18 0.02 0.02) = 0.072% HB3 MET 126 - HB2 ASP- 82 8.333% * 0.0559% (0.14 0.02 0.02) = 0.056% Peak 3737 (0.28, 2.91, 41.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3738 (0.28, 2.76, 41.87 ppm): 2 chemical-shift based assignments, quality = 0.365, support = 1.45, residual support = 5.35: QD2 LEU 23 - HB3 ASP- 115 50.000% * 94.1927% (0.37 1.53 5.68) = 94.193% kept QG1 VAL 122 - HB3 ASP- 115 50.000% * 5.8073% (0.35 0.10 0.02) = 5.807% kept Peak 3745 (0.93, 1.62, 41.87 ppm): 14 chemical-shift based assignments, quality = 0.938, support = 5.55, residual support = 88.1: * O HG12 ILE 68 - HB ILE 68 7.143% * 92.7492% (0.99 10.0 5.71 92.71) = 92.749% kept QD1 LEU 67 - HB ILE 68 7.143% * 5.9263% (0.31 1.0 4.14 34.91) = 5.926% kept QG2 VAL 80 - HB ILE 68 7.143% * 0.7852% (0.94 1.0 0.18 0.02) = 0.785% HG3 LYS+ 110 - HB ILE 68 7.143% * 0.0919% (0.98 1.0 0.02 0.02) = 0.092% QG2 VAL 105 - HB ILE 68 7.143% * 0.0832% (0.89 1.0 0.02 0.60) = 0.083% QD1 LEU 17 - HB ILE 68 7.143% * 0.0805% (0.86 1.0 0.02 0.02) = 0.080% QG1 VAL 105 - HB ILE 68 7.143% * 0.0775% (0.83 1.0 0.02 0.60) = 0.077% QG2 VAL 62 - HB ILE 68 7.143% * 0.0451% (0.48 1.0 0.02 0.02) = 0.045% QG2 VAL 73 - HB ILE 68 7.143% * 0.0348% (0.37 1.0 0.02 1.95) = 0.035% HG3 LYS+ 117 - HB ILE 68 7.143% * 0.0348% (0.37 1.0 0.02 0.02) = 0.035% QG2 ILE 29 - HB ILE 68 7.143% * 0.0316% (0.34 1.0 0.02 0.02) = 0.032% QG1 VAL 47 - HB ILE 68 7.143% * 0.0231% (0.25 1.0 0.02 0.02) = 0.023% QG2 VAL 87 - HB ILE 68 7.143% * 0.0184% (0.20 1.0 0.02 0.02) = 0.018% QG2 VAL 40 - HB ILE 68 7.143% * 0.0184% (0.20 1.0 0.02 0.02) = 0.018% Peak 3746 (1.63, 1.62, 41.87 ppm): 1 diagonal assignment: * HB ILE 68 - HB ILE 68 (0.89) kept Peak 3747 (8.30, 2.13, 45.43 ppm): 6 chemical-shift based assignments, quality = 0.711, support = 3.38, residual support = 36.9: * O HN ASP- 28 - HB2 ASP- 28 16.667% * 97.3345% (0.71 10.0 3.47 37.87) = 97.335% kept HN ALA 91 - HB2 ASP- 28 16.667% * 1.8677% (0.98 1.0 0.28 0.02) = 1.868% kept HN VAL 99 - HB2 ASP- 28 16.667% * 0.6809% (0.63 1.0 0.16 0.44) = 0.681% HN ASN 89 - HB2 ASP- 28 16.667% * 0.0457% (0.33 1.0 0.02 0.02) = 0.046% HN ASN 76 - HB2 ASP- 28 16.667% * 0.0414% (0.30 1.0 0.02 0.02) = 0.041% HN GLY 114 - HB2 ASP- 28 16.667% * 0.0298% (0.22 1.0 0.02 0.02) = 0.030% Peak 3748 (9.31, 2.13, 45.43 ppm): 2 chemical-shift based assignments, quality = 0.8, support = 4.42, residual support = 22.7: * HN ILE 29 - HB2 ASP- 28 50.000% * 80.4714% (0.88 4.95 26.71) = 80.471% kept HN LEU 23 - HB2 ASP- 28 50.000% * 19.5286% (0.48 2.21 6.17) = 19.529% kept Peak 3749 (9.31, 2.39, 45.43 ppm): 2 chemical-shift based assignments, quality = 0.806, support = 5.37, residual support = 23.0: * HN ILE 29 - HB3 ASP- 28 50.000% * 81.7981% (0.88 6.02 26.71) = 81.798% kept HN LEU 23 - HB3 ASP- 28 50.000% * 18.2019% (0.48 2.47 6.17) = 18.202% kept Peak 3750 (8.51, 1.35, 45.37 ppm): 2 chemical-shift based assignments, quality = 0.147, support = 6.78, residual support = 32.9: * HN GLU- 18 - HB3 LEU 17 50.000% * 99.4741% (0.15 6.82 33.07) = 99.474% kept HN GLU- 10 - HB3 LEU 17 50.000% * 0.5259% (0.27 0.02 0.02) = 0.526% Peak 3751 (8.52, 1.74, 45.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HN GLU- 18 - HB2 LEU 17 Peak unassigned. Peak 3752 (3.97, 3.98, 45.56 ppm): 2 diagonal assignments: * HA1 GLY 92 - HA1 GLY 92 (0.34) kept HA1 GLY 114 - HA1 GLY 114 (0.02) kept Peak 3753 (7.83, 3.98, 45.56 ppm): 6 chemical-shift based assignments, quality = 0.153, support = 2.47, residual support = 12.7: * O HN ALA 93 - HA1 GLY 92 16.667% * 99.3342% (0.15 10.0 2.49 12.76) = 99.334% kept HN LYS+ 63 - HA1 GLY 92 16.667% * 0.3502% (0.54 1.0 0.02 0.02) = 0.350% HN LYS+ 55 - HA1 GLY 92 16.667% * 0.2167% (0.34 1.0 0.02 0.02) = 0.217% HN LYS+ 63 - HA1 GLY 114 16.667% * 0.0520% (0.08 1.0 0.02 0.02) = 0.052% HN LYS+ 55 - HA1 GLY 114 16.667% * 0.0322% (0.05 1.0 0.02 0.02) = 0.032% HN ALA 93 - HA1 GLY 114 16.667% * 0.0147% (0.02 1.0 0.02 0.02) = 0.015% Peak 3754 (7.83, 3.82, 45.56 ppm): 3 chemical-shift based assignments, quality = 0.175, support = 1.59, residual support = 12.7: * O HN ALA 93 - HA2 GLY 92 33.333% * 99.2919% (0.18 10.0 1.60 12.76) = 99.292% kept HN LYS+ 63 - HA2 GLY 92 33.333% * 0.4374% (0.62 1.0 0.02 0.02) = 0.437% HN LYS+ 55 - HA2 GLY 92 33.333% * 0.2707% (0.38 1.0 0.02 0.02) = 0.271% Peak 3755 (8.46, 3.82, 45.56 ppm): 7 chemical-shift based assignments, quality = 0.547, support = 2.2, residual support = 7.65: * O HN GLY 92 - HA2 GLY 92 14.286% * 99.6509% (0.55 10.0 2.20 7.67) = 99.651% kept HN GLU- 107 - HA2 GLY 92 14.286% * 0.1139% (0.63 1.0 0.02 0.02) = 0.114% HN LEU 74 - HA2 GLY 92 14.286% * 0.0834% (0.46 1.0 0.02 0.25) = 0.083% HN LYS+ 113 - HA2 GLY 92 14.286% * 0.0604% (0.33 1.0 0.02 0.02) = 0.060% HN GLU- 18 - HA2 GLY 92 14.286% * 0.0472% (0.26 1.0 0.02 0.02) = 0.047% HN GLU- 10 - HA2 GLY 92 14.286% * 0.0286% (0.16 1.0 0.02 0.02) = 0.029% HN ARG+ 53 - HA2 GLY 92 14.286% * 0.0155% (0.09 1.0 0.02 0.02) = 0.016% Peak 3756 (7.97, 3.46, 45.56 ppm): 2 chemical-shift based assignments, quality = 0.374, support = 3.15, residual support = 12.0: * O HN LYS+ 72 - HA1 GLY 71 50.000% * 93.4463% (0.38 10.0 3.27 12.79) = 93.446% kept HN LEU 43 - HA1 GLY 71 50.000% * 6.5537% (0.35 1.0 1.50 0.14) = 6.554% kept Peak 3757 (7.34, 7.34, 45.75 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3758 (7.15, 7.16, 45.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3759 (9.51, 7.16, 45.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3760 (8.26, 1.21, 46.81 ppm): 8 chemical-shift based assignments, quality = 0.483, support = 4.32, residual support = 100.4: * O HN LEU 67 - HB2 LEU 67 12.500% * 87.2564% (0.45 10.0 4.87 115.02) = 87.256% kept HN THR 106 - HB2 LEU 67 12.500% * 5.0647% (0.85 1.0 0.62 0.02) = 5.065% kept HN ASP- 115 - HB2 LEU 67 12.500% * 4.8974% (0.86 1.0 0.59 0.02) = 4.897% kept HN ASN 89 - HB2 LEU 67 12.500% * 1.7765% (0.32 1.0 0.57 0.13) = 1.777% kept HN GLU- 12 - HB2 LEU 67 12.500% * 0.8034% (0.55 1.0 0.15 0.02) = 0.803% HN LYS+ 81 - HB2 LEU 67 12.500% * 0.0873% (0.45 1.0 0.02 0.02) = 0.087% HN GLY 58 - HB2 LEU 67 12.500% * 0.0682% (0.35 1.0 0.02 0.02) = 0.068% HN SER 49 - HB2 LEU 67 12.500% * 0.0461% (0.24 1.0 0.02 0.02) = 0.046% Peak 3761 (8.87, 1.21, 46.81 ppm): 2 chemical-shift based assignments, quality = 0.739, support = 4.69, residual support = 30.7: * HN ILE 68 - HB2 LEU 67 50.000% * 87.8182% (0.74 5.24 34.91) = 87.818% kept HN ASP- 36 - HB2 LEU 67 50.000% * 12.1818% (0.71 0.75 0.59) = 12.182% kept Peak 3762 (8.26, 1.47, 46.81 ppm): 8 chemical-shift based assignments, quality = 0.509, support = 4.15, residual support = 98.9: * O HN LEU 67 - HB3 LEU 67 12.500% * 85.9583% (0.46 10.0 4.72 115.02) = 85.958% kept HN THR 106 - HB3 LEU 67 12.500% * 5.8791% (0.88 1.0 0.73 0.02) = 5.879% kept HN ASP- 115 - HB3 LEU 67 12.500% * 5.7841% (0.88 1.0 0.71 0.02) = 5.784% kept HN ASN 89 - HB3 LEU 67 12.500% * 2.0743% (0.33 1.0 0.68 0.13) = 2.074% kept HN GLU- 12 - HB3 LEU 67 12.500% * 0.1057% (0.57 1.0 0.02 0.02) = 0.106% HN LYS+ 81 - HB3 LEU 67 12.500% * 0.0860% (0.46 1.0 0.02 0.02) = 0.086% HN GLY 58 - HB3 LEU 67 12.500% * 0.0672% (0.36 1.0 0.02 0.02) = 0.067% HN SER 49 - HB3 LEU 67 12.500% * 0.0454% (0.25 1.0 0.02 0.02) = 0.045% Peak 3763 (7.34, 7.34, 48.66 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3764 (6.89, 6.89, 48.99 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3765 (3.61, 3.61, 50.61 ppm): 1 diagonal assignment: * HD2 PRO 112 - HD2 PRO 112 (0.29) kept Peak 3766 (3.75, 3.75, 50.58 ppm): 1 diagonal assignment: * HD3 PRO 104 - HD3 PRO 104 (0.89) kept Peak 3767 (2.27, 3.61, 50.61 ppm): 36 chemical-shift based assignments, quality = 0.341, support = 4.56, residual support = 38.9: * O T HG2 PRO 112 - HD2 PRO 112 2.778% * 51.1520% (0.36 10.0 10.00 5.00 39.48) = 51.152% kept O HB3 PRO 112 - HD2 PRO 112 2.778% * 47.4435% (0.33 10.0 1.00 4.23 39.48) = 47.444% kept T HG2 PRO 112 - HD2 PRO 104 2.778% * 0.5180% (0.36 1.0 10.00 0.02 3.72) = 0.518% T HG2 PRO 112 - HD2 PRO 31 2.778% * 0.1174% (0.08 1.0 10.00 0.02 0.02) = 0.117% HB VAL 80 - HD2 PRO 104 2.778% * 0.0531% (0.37 1.0 1.00 0.02 0.02) = 0.053% HB VAL 80 - HD2 PRO 112 2.778% * 0.0524% (0.37 1.0 1.00 0.02 0.02) = 0.052% HG3 GLU- 75 - HD2 PRO 104 2.778% * 0.0521% (0.37 1.0 1.00 0.02 0.02) = 0.052% HB3 LYS+ 117 - HD2 PRO 104 2.778% * 0.0521% (0.37 1.0 1.00 0.02 0.02) = 0.052% HG3 GLU- 75 - HD2 PRO 112 2.778% * 0.0515% (0.36 1.0 1.00 0.02 0.30) = 0.051% HB3 LYS+ 117 - HD2 PRO 112 2.778% * 0.0515% (0.36 1.0 1.00 0.02 0.02) = 0.051% HB3 PRO 112 - HD2 PRO 104 2.778% * 0.0480% (0.34 1.0 1.00 0.02 3.72) = 0.048% HG3 GLU- 54 - HD2 PRO 104 2.778% * 0.0461% (0.32 1.0 1.00 0.02 0.02) = 0.046% HG3 GLU- 54 - HD2 PRO 112 2.778% * 0.0456% (0.32 1.0 1.00 0.02 0.12) = 0.046% HG3 GLU- 107 - HD2 PRO 104 2.778% * 0.0426% (0.30 1.0 1.00 0.02 0.02) = 0.043% HG3 GLU- 107 - HD2 PRO 112 2.778% * 0.0421% (0.29 1.0 1.00 0.02 0.02) = 0.042% HB2 LYS+ 44 - HD2 PRO 104 2.778% * 0.0259% (0.18 1.0 1.00 0.02 0.02) = 0.026% HB2 LYS+ 44 - HD2 PRO 112 2.778% * 0.0256% (0.18 1.0 1.00 0.02 0.27) = 0.026% HB3 ASN 15 - HD2 PRO 104 2.778% * 0.0181% (0.13 1.0 1.00 0.02 0.02) = 0.018% HB3 ASN 15 - HD2 PRO 112 2.778% * 0.0179% (0.13 1.0 1.00 0.02 0.02) = 0.018% HB VAL 80 - HD2 PRO 31 2.778% * 0.0120% (0.08 1.0 1.00 0.02 0.02) = 0.012% HG3 GLU- 10 - HD2 PRO 104 2.778% * 0.0118% (0.08 1.0 1.00 0.02 0.02) = 0.012% HG3 GLU- 75 - HD2 PRO 31 2.778% * 0.0118% (0.08 1.0 1.00 0.02 0.02) = 0.012% HB3 LYS+ 117 - HD2 PRO 31 2.778% * 0.0118% (0.08 1.0 1.00 0.02 0.14) = 0.012% HG3 GLU- 10 - HD2 PRO 112 2.778% * 0.0117% (0.08 1.0 1.00 0.02 0.02) = 0.012% HB3 PRO 112 - HD2 PRO 31 2.778% * 0.0109% (0.08 1.0 1.00 0.02 0.02) = 0.011% HG3 GLN 16 - HD2 PRO 104 2.778% * 0.0105% (0.07 1.0 1.00 0.02 0.02) = 0.011% HG3 GLU- 54 - HD2 PRO 31 2.778% * 0.0105% (0.07 1.0 1.00 0.02 0.02) = 0.010% HG3 GLN 16 - HD2 PRO 112 2.778% * 0.0104% (0.07 1.0 1.00 0.02 0.02) = 0.010% HG3 GLU- 107 - HD2 PRO 31 2.778% * 0.0097% (0.07 1.0 1.00 0.02 0.02) = 0.010% HB3 GLU- 45 - HD2 PRO 104 2.778% * 0.0082% (0.06 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 45 - HD2 PRO 112 2.778% * 0.0081% (0.06 1.0 1.00 0.02 0.28) = 0.008% HB2 LYS+ 44 - HD2 PRO 31 2.778% * 0.0059% (0.04 1.0 1.00 0.02 0.98) = 0.006% HB3 ASN 15 - HD2 PRO 31 2.778% * 0.0041% (0.03 1.0 1.00 0.02 0.02) = 0.004% HG3 GLU- 10 - HD2 PRO 31 2.778% * 0.0027% (0.02 1.0 1.00 0.02 0.02) = 0.003% HG3 GLN 16 - HD2 PRO 31 2.778% * 0.0024% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB3 GLU- 45 - HD2 PRO 31 2.778% * 0.0019% (0.01 1.0 1.00 0.02 0.02) = 0.002% Peak 3768 (1.36, 3.46, 50.99 ppm): 7 chemical-shift based assignments, quality = 0.905, support = 1.14, residual support = 3.56: * T HB3 LYS+ 20 - HD3 PRO 31 14.286% * 93.6383% (0.91 10.00 1.20 3.80) = 93.638% kept HB3 LEU 17 - HD3 PRO 31 14.286% * 2.1009% (0.90 1.00 0.27 0.11) = 2.101% kept QB ALA 11 - HD3 PRO 31 14.286% * 2.1009% (0.90 1.00 0.27 0.02) = 2.101% kept HG3 LYS+ 81 - HD3 PRO 31 14.286% * 1.8915% (0.85 1.00 0.26 0.02) = 1.892% kept HG2 LYS+ 78 - HD3 PRO 31 14.286% * 0.1202% (0.70 1.00 0.02 0.02) = 0.120% QG2 THR 39 - HD3 PRO 31 14.286% * 0.0891% (0.52 1.00 0.02 0.02) = 0.089% HG13 ILE 68 - HD3 PRO 31 14.286% * 0.0590% (0.34 1.00 0.02 0.02) = 0.059% Peak 3769 (1.36, 3.58, 50.95 ppm): 14 chemical-shift based assignments, quality = 0.914, support = 1.02, residual support = 2.2: * HB3 LYS+ 20 - HD2 PRO 31 7.143% * 57.4645% (0.96 1.56 3.80) = 57.464% kept HB3 LEU 17 - HD2 PRO 31 7.143% * 11.4331% (0.95 0.31 0.11) = 11.433% kept QB ALA 11 - HD2 PRO 31 7.143% * 11.4331% (0.95 0.31 0.02) = 11.433% kept HG3 LYS+ 81 - HD2 PRO 31 7.143% * 10.2935% (0.89 0.30 0.02) = 10.293% kept HG2 LYS+ 78 - HD2 PRO 31 7.143% * 7.3961% (0.74 0.26 0.02) = 7.396% kept HG2 LYS+ 78 - HD2 PRO 104 7.143% * 0.5695% (0.15 0.10 0.02) = 0.570% QG2 THR 39 - HD2 PRO 31 7.143% * 0.4212% (0.55 0.02 0.02) = 0.421% HG13 ILE 68 - HD2 PRO 31 7.143% * 0.2792% (0.36 0.02 0.02) = 0.279% HB3 LYS+ 20 - HD2 PRO 104 7.143% * 0.1461% (0.19 0.02 0.02) = 0.146% HB3 LEU 17 - HD2 PRO 104 7.143% * 0.1445% (0.19 0.02 0.02) = 0.144% QB ALA 11 - HD2 PRO 104 7.143% * 0.1445% (0.19 0.02 0.02) = 0.144% HG3 LYS+ 81 - HD2 PRO 104 7.143% * 0.1361% (0.18 0.02 0.02) = 0.136% QG2 THR 39 - HD2 PRO 104 7.143% * 0.0835% (0.11 0.02 0.02) = 0.083% HG13 ILE 68 - HD2 PRO 104 7.143% * 0.0553% (0.07 0.02 0.02) = 0.055% Peak 3770 (2.08, 3.93, 51.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3771 (1.99, 3.59, 50.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3772 (3.77, 3.45, 50.93 ppm): 2 chemical-shift based assignments, quality = 0.161, support = 1.32, residual support = 2.24: HA LEU 43 - HD3 PRO 31 50.000% * 96.7899% (0.15 1.37 2.32) = 96.790% kept HD3 PRO 104 - HD3 PRO 31 50.000% * 3.2101% (0.35 0.02 0.02) = 3.210% kept Not enough quality. Peak unassigned. Peak 3773 (7.08, 7.08, 50.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3774 (7.33, 7.33, 50.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3775 (7.21, 0.55, 10.88 ppm): 2 chemical-shift based assignments, quality = 0.8, support = 1.71, residual support = 3.22: HN TRP 51 - QD1 ILE 101 50.000% * 59.6432% (0.91 1.72 3.22) = 59.643% kept * HH2 TRP 51 - QD1 ILE 101 50.000% * 40.3568% (0.63 1.69 3.22) = 40.357% kept Peak 3776 (7.55, 0.55, 10.88 ppm): 3 chemical-shift based assignments, quality = 0.436, support = 2.04, residual support = 4.35: HN VAL 65 - QD1 ILE 101 33.333% * 73.8861% (0.48 2.33 5.65) = 73.886% kept HN ASP- 82 - QD1 ILE 101 33.333% * 25.4804% (0.31 1.24 0.69) = 25.480% kept HD22 ASN 119 - QD1 ILE 101 33.333% * 0.6334% (0.48 0.02 0.02) = 0.633% Peak 3777 (8.74, 0.55, 10.88 ppm): 5 chemical-shift based assignments, quality = 0.845, support = 4.63, residual support = 93.6: * HN ILE 101 - QD1 ILE 101 20.000% * 72.3474% (0.91 5.93 128.96) = 72.347% kept HN GLU- 56 - QD1 ILE 101 20.000% * 15.7704% (0.91 1.30 1.14) = 15.770% kept HN VAL 62 - QD1 ILE 101 20.000% * 7.1325% (0.41 1.30 0.80) = 7.133% kept HN PHE 34 - QD1 ILE 101 20.000% * 3.3220% (0.25 0.98 0.41) = 3.322% kept HN VAL 40 - QD1 ILE 101 20.000% * 1.4276% (0.12 0.86 0.59) = 1.428% kept Peak 3778 (8.91, 0.55, 10.88 ppm): 2 chemical-shift based assignments, quality = 0.912, support = 4.25, residual support = 25.6: * HN GLN 102 - QD1 ILE 101 50.000% * 99.5062% (0.92 4.28 25.73) = 99.506% kept HN ASP- 36 - QD1 ILE 101 50.000% * 0.4938% (0.23 0.09 0.02) = 0.494% Peak 3779 (9.10, 0.55, 10.88 ppm): 2 chemical-shift based assignments, quality = 0.339, support = 3.67, residual support = 8.84: HN LYS+ 66 - QD1 ILE 101 50.000% * 93.9719% (0.34 3.89 9.40) = 93.972% kept HN GLU- 54 - QD1 ILE 101 50.000% * 6.0281% (0.25 0.34 0.02) = 6.028% kept Peak 3780 (8.82, 4.39, 54.16 ppm): 3 chemical-shift based assignments, quality = 0.758, support = 2.93, residual support = 18.6: * O HN ASN 57 - HA ASN 57 33.333% * 96.2772% (0.75 10.0 3.03 19.31) = 96.277% kept HN LYS+ 60 - HA ASN 57 33.333% * 1.9105% (0.87 1.0 0.35 0.02) = 1.910% kept HN LYS+ 32 - HA ASN 57 33.333% * 1.8123% (0.82 1.0 0.35 0.02) = 1.812% kept Peak 3781 (8.23, 4.39, 54.16 ppm): 11 chemical-shift based assignments, quality = 0.749, support = 2.75, residual support = 13.0: * O HN GLY 58 - HA ASN 57 9.091% * 99.2862% (0.75 10.0 2.77 13.11) = 99.286% kept HN SER 49 - HA ASN 57 9.091% * 0.1105% (0.84 1.0 0.02 0.02) = 0.110% HN VAL 94 - HA ASN 57 9.091% * 0.0917% (0.70 1.0 0.02 0.02) = 0.092% HN LYS+ 81 - HA ASN 57 9.091% * 0.0875% (0.66 1.0 0.02 0.02) = 0.087% HN LEU 67 - HA ASN 57 9.091% * 0.0875% (0.66 1.0 0.02 0.02) = 0.087% HN VAL 105 - HA ASN 57 9.091% * 0.0875% (0.66 1.0 0.02 0.02) = 0.087% HN GLU- 12 - HA ASN 57 9.091% * 0.0740% (0.56 1.0 0.02 0.02) = 0.074% HN ALA 11 - HA ASN 57 9.091% * 0.0694% (0.53 1.0 0.02 0.02) = 0.069% HN GLU- 45 - HA ASN 57 9.091% * 0.0602% (0.46 1.0 0.02 0.02) = 0.060% HN THR 106 - HA ASN 57 9.091% * 0.0255% (0.19 1.0 0.02 0.02) = 0.025% HN ASP- 115 - HA ASN 57 9.091% * 0.0200% (0.15 1.0 0.02 0.02) = 0.020% Peak 3782 (4.39, 4.39, 54.16 ppm): 1 diagonal assignment: * HA ASN 57 - HA ASN 57 (0.82) kept Peak 3783 (4.13, 0.80, 12.73 ppm): 9 chemical-shift based assignments, quality = 0.896, support = 1.66, residual support = 1.29: HB3 SER 49 - QD1 ILE 100 11.111% * 88.7465% (0.94 1.86 1.46) = 88.746% kept HA2 GLY 71 - QD1 ILE 100 11.111% * 6.5197% (0.79 0.16 0.02) = 6.520% kept HA LYS+ 63 - QD1 ILE 100 11.111% * 1.2561% (0.22 0.11 0.02) = 1.256% kept HA ARG+ 53 - QD1 ILE 100 11.111% * 1.0001% (0.98 0.02 0.02) = 1.000% kept HA LYS+ 110 - QD1 ILE 100 11.111% * 0.8695% (0.85 0.02 0.02) = 0.869% HB2 SER 88 - QD1 ILE 100 11.111% * 0.5675% (0.56 0.02 0.02) = 0.567% HA THR 46 - QD1 ILE 100 11.111% * 0.5675% (0.56 0.02 0.02) = 0.567% HA ALA 70 - QD1 ILE 100 11.111% * 0.2499% (0.25 0.02 0.02) = 0.250% HA VAL 87 - QD1 ILE 100 11.111% * 0.2232% (0.22 0.02 0.35) = 0.223% Peak 3784 (4.79, 0.80, 12.73 ppm): 4 chemical-shift based assignments, quality = 0.774, support = 1.07, residual support = 3.34: HA LEU 23 - QD1 ILE 100 25.000% * 96.9285% (0.79 1.11 3.44) = 96.928% kept HA ASN 15 - QD1 ILE 100 25.000% * 1.5035% (0.68 0.02 0.02) = 1.503% kept HA GLU- 18 - QD1 ILE 100 25.000% * 0.8215% (0.37 0.02 0.33) = 0.821% HB THR 39 - QD1 ILE 100 25.000% * 0.7466% (0.34 0.02 0.02) = 0.747% Peak 3785 (8.34, 0.80, 12.73 ppm): 8 chemical-shift based assignments, quality = 0.698, support = 1.76, residual support = 3.15: HN GLU- 50 - QD1 ILE 100 12.500% * 59.9022% (0.93 1.76 1.00) = 59.902% kept * HN VAL 99 - QD1 ILE 100 12.500% * 18.4995% (0.15 3.33 13.75) = 18.499% kept HN LYS+ 108 - QD1 ILE 100 12.500% * 9.9512% (0.48 0.57 0.02) = 9.951% kept HN ALA 103 - QD1 ILE 100 12.500% * 7.8242% (0.75 0.28 0.02) = 7.824% kept HN GLY 71 - QD1 ILE 100 12.500% * 2.5482% (0.22 0.32 0.02) = 2.548% kept HN GLU- 109 - QD1 ILE 100 12.500% * 0.6006% (0.82 0.02 0.02) = 0.601% HN GLY 114 - QD1 ILE 100 12.500% * 0.3783% (0.52 0.02 0.02) = 0.378% HN ASN 76 - QD1 ILE 100 12.500% * 0.2956% (0.40 0.02 0.02) = 0.296% Peak 3786 (8.74, 0.80, 12.73 ppm): 4 chemical-shift based assignments, quality = 0.796, support = 2.86, residual support = 14.1: * HN ILE 101 - QD1 ILE 100 25.000% * 72.8580% (0.82 3.72 19.28) = 72.858% kept HN GLU- 56 - QD1 ILE 100 25.000% * 11.0824% (0.79 0.59 0.02) = 11.082% kept HN VAL 62 - QD1 ILE 100 25.000% * 10.7563% (0.75 0.60 0.14) = 10.756% kept HN PHE 34 - QD1 ILE 100 25.000% * 5.3033% (0.56 0.40 0.02) = 5.303% kept Peak 3788 (8.87, 0.80, 12.73 ppm): 2 chemical-shift based assignments, quality = 0.945, support = 0.891, residual support = 0.918: HN ILE 68 - QD1 ILE 100 50.000% * 98.4511% (0.95 0.90 0.93) = 98.451% kept HN ASP- 36 - QD1 ILE 100 50.000% * 1.5489% (0.68 0.02 0.02) = 1.549% kept Peak 3789 (9.28, 0.80, 12.73 ppm): 2 chemical-shift based assignments, quality = 0.784, support = 1.8, residual support = 3.42: HN LEU 23 - QD1 ILE 100 50.000% * 99.4849% (0.79 1.81 3.44) = 99.485% kept HN ILE 29 - QD1 ILE 100 50.000% * 0.5151% (0.37 0.02 0.02) = 0.515% Peak 3790 (8.24, 0.40, 14.05 ppm): 11 chemical-shift based assignments, quality = 0.845, support = 2.93, residual support = 17.4: * HN SER 49 - QD1 ILE 48 9.091% * 57.1843% (0.91 4.35 28.98) = 57.184% kept HN GLY 58 - QD1 ILE 48 9.091% * 16.5267% (0.98 1.17 1.16) = 16.527% kept HN LEU 67 - QD1 ILE 48 9.091% * 10.1899% (0.99 0.72 0.17) = 10.190% kept HN GLU- 45 - QD1 ILE 48 9.091% * 6.4046% (0.20 2.27 9.33) = 6.405% kept HN ASP- 115 - QD1 ILE 48 9.091% * 3.9848% (0.48 0.57 0.62) = 3.985% kept HN VAL 94 - QD1 ILE 48 9.091% * 2.0875% (0.41 0.36 0.02) = 2.088% kept HN LYS+ 81 - QD1 ILE 48 9.091% * 1.1241% (0.99 0.08 0.25) = 1.124% kept HN VAL 105 - QD1 ILE 48 9.091% * 1.1089% (0.37 0.21 0.02) = 1.109% kept HN THR 106 - QD1 ILE 48 9.091% * 1.0430% (0.56 0.13 0.02) = 1.043% kept HN GLU- 12 - QD1 ILE 48 9.091% * 0.2752% (0.95 0.02 0.02) = 0.275% HN ALA 11 - QD1 ILE 48 9.091% * 0.0711% (0.25 0.02 0.02) = 0.071% Peak 3791 (3.16, 0.73, 14.31 ppm): 6 chemical-shift based assignments, quality = 0.274, support = 1.25, residual support = 14.3: * T HB3 HIS+ 98 - QD1 ILE 68 16.667% * 91.5924% (0.27 10.00 1.31 15.60) = 91.592% kept HB3 PHE 34 - QD1 ILE 68 16.667% * 4.2309% (0.35 1.00 0.47 0.15) = 4.231% kept HD3 ARG+ 84 - QD1 ILE 68 16.667% * 3.9572% (0.22 1.00 0.69 0.41) = 3.957% kept HE3 LYS+ 72 - QD1 ILE 68 16.667% * 0.1526% (0.06 1.00 0.10 2.90) = 0.153% HE3 LYS+ 117 - QD1 ILE 68 16.667% * 0.0334% (0.07 1.00 0.02 0.02) = 0.033% HE3 LYS+ 108 - QD1 ILE 68 16.667% * 0.0334% (0.07 1.00 0.02 0.02) = 0.033% Peak 3792 (3.18, 0.69, 14.32 ppm): 4 chemical-shift based assignments, quality = 0.788, support = 1.83, residual support = 19.0: * HB3 PHE 34 - QD1 ILE 19 25.000% * 86.2689% (0.79 2.08 22.00) = 86.269% kept HD3 ARG+ 84 - QD1 ILE 19 25.000% * 10.5348% (0.98 0.20 0.02) = 10.535% kept HD3 ARG+ 84 - QD1 ILE 68 25.000% * 2.0701% (0.06 0.69 0.41) = 2.070% kept HB3 PHE 34 - QD1 ILE 68 25.000% * 1.1263% (0.05 0.47 0.15) = 1.126% kept Peak 3793 (2.62, 0.69, 14.32 ppm): 10 chemical-shift based assignments, quality = 0.94, support = 3.13, residual support = 42.5: T HE3 LYS+ 20 - QD1 ILE 19 10.000% * 89.5353% (0.97 10.00 3.26 45.32) = 89.535% kept * HB2 PHE 34 - QD1 ILE 19 10.000% * 8.8016% (0.83 1.00 2.31 22.00) = 8.802% kept HG2 PRO 112 - QD1 ILE 19 10.000% * 0.8650% (0.14 1.00 1.36 1.03) = 0.865% HG2 MET 118 - QD1 ILE 19 10.000% * 0.6947% (0.72 1.00 0.21 0.02) = 0.695% HB2 ASP- 25 - QD1 ILE 19 10.000% * 0.0843% (0.91 1.00 0.02 0.02) = 0.084% HE3 LYS+ 20 - QD1 ILE 68 10.000% * 0.0052% (0.06 1.00 0.02 0.02) = 0.005% HB2 ASP- 25 - QD1 ILE 68 10.000% * 0.0049% (0.05 1.00 0.02 0.02) = 0.005% HB2 PHE 34 - QD1 ILE 68 10.000% * 0.0044% (0.05 1.00 0.02 0.15) = 0.004% HG2 MET 118 - QD1 ILE 68 10.000% * 0.0038% (0.04 1.00 0.02 0.02) = 0.004% HG2 PRO 112 - QD1 ILE 68 10.000% * 0.0007% (0.01 1.00 0.02 0.02) = 0.001% Peak 3794 (2.26, 0.69, 14.32 ppm): 24 chemical-shift based assignments, quality = 0.819, support = 0.928, residual support = 0.8: HG2 PRO 112 - QD1 ILE 19 4.167% * 42.3222% (0.96 1.00 1.36 1.03) = 42.322% kept HB3 PRO 112 - QD1 ILE 19 4.167% * 20.5863% (0.84 1.00 0.76 1.03) = 20.586% kept HB VAL 80 - QD1 ILE 19 4.167% * 11.4519% (0.97 1.00 0.37 0.02) = 11.452% kept HG3 GLN 16 - QD1 ILE 19 4.167% * 9.6570% (0.25 1.00 1.21 1.50) = 9.657% kept HB3 LYS+ 117 - QD1 ILE 19 4.167% * 9.2546% (0.94 1.00 0.31 0.02) = 9.255% kept HB3 ASN 15 - QD1 ILE 19 4.167% * 3.2276% (0.41 1.00 0.25 0.02) = 3.228% kept HB2 LYS+ 44 - QD1 ILE 19 4.167% * 1.0145% (0.41 1.00 0.08 0.02) = 1.014% kept HG3 GLU- 75 - QD1 ILE 19 4.167% * 0.6042% (0.94 1.00 0.02 0.02) = 0.604% HG3 GLU- 54 - QD1 ILE 19 4.167% * 0.5896% (0.91 1.00 0.02 0.02) = 0.590% HG3 GLU- 107 - QD1 ILE 19 4.167% * 0.5540% (0.86 1.00 0.02 0.02) = 0.554% HG3 GLU- 10 - QD1 ILE 19 4.167% * 0.1776% (0.27 1.00 0.02 0.02) = 0.178% T HB2 LYS+ 44 - QD1 ILE 68 4.167% * 0.1520% (0.02 10.00 0.02 0.17) = 0.152% HB3 GLU- 45 - QD1 ILE 19 4.167% * 0.1264% (0.20 1.00 0.02 0.02) = 0.126% HB VAL 80 - QD1 ILE 68 4.167% * 0.0363% (0.06 1.00 0.02 0.02) = 0.036% HG2 PRO 112 - QD1 ILE 68 4.167% * 0.0361% (0.06 1.00 0.02 0.02) = 0.036% HB3 LYS+ 117 - QD1 ILE 68 4.167% * 0.0350% (0.05 1.00 0.02 0.02) = 0.035% HG3 GLU- 75 - QD1 ILE 68 4.167% * 0.0350% (0.05 1.00 0.02 0.02) = 0.035% HG3 GLU- 54 - QD1 ILE 68 4.167% * 0.0341% (0.05 1.00 0.02 0.02) = 0.034% HG3 GLU- 107 - QD1 ILE 68 4.167% * 0.0321% (0.05 1.00 0.02 0.02) = 0.032% HB3 PRO 112 - QD1 ILE 68 4.167% * 0.0312% (0.05 1.00 0.02 0.02) = 0.031% HB3 ASN 15 - QD1 ILE 68 4.167% * 0.0152% (0.02 1.00 0.02 0.02) = 0.015% HG3 GLU- 10 - QD1 ILE 68 4.167% * 0.0103% (0.02 1.00 0.02 0.02) = 0.010% HG3 GLN 16 - QD1 ILE 68 4.167% * 0.0092% (0.01 1.00 0.02 0.02) = 0.009% HB3 GLU- 45 - QD1 ILE 68 4.167% * 0.0073% (0.01 1.00 0.02 0.02) = 0.007% Peak 3795 (2.77, 0.73, 14.31 ppm): 1 chemical-shift based assignment, quality = 0.306, support = 0.364, residual support = 0.54: HB2 ASN 119 - QD1 ILE 68 100.000% *100.0000% (0.31 0.36 0.54) = 100.000% kept Peak 3796 (1.38, 0.73, 14.31 ppm): 12 chemical-shift based assignments, quality = 0.41, support = 4.15, residual support = 90.1: * O HG13 ILE 68 - QD1 ILE 68 8.333% * 95.7737% (0.42 10.0 4.23 92.71) = 95.774% kept HG LEU 67 - QD1 ILE 68 8.333% * 3.7248% (0.12 1.0 2.74 34.91) = 3.725% kept QG2 THR 39 - QD1 ILE 68 8.333% * 0.0968% (0.43 1.0 0.02 0.02) = 0.097% HG2 LYS+ 78 - QD1 ILE 68 8.333% * 0.0876% (0.39 1.0 0.02 0.02) = 0.088% HD3 LYS+ 20 - QD1 ILE 68 8.333% * 0.0632% (0.28 1.0 0.02 0.02) = 0.063% QB ALA 11 - QD1 ILE 68 8.333% * 0.0593% (0.26 1.0 0.02 0.02) = 0.059% HB3 LYS+ 20 - QD1 ILE 68 8.333% * 0.0553% (0.24 1.0 0.02 0.02) = 0.055% HB3 LEU 17 - QD1 ILE 68 8.333% * 0.0367% (0.16 1.0 0.02 0.02) = 0.037% QB ALA 93 - QD1 ILE 68 8.333% * 0.0302% (0.13 1.0 0.02 0.02) = 0.030% HG13 ILE 100 - QD1 ILE 68 8.333% * 0.0302% (0.13 1.0 0.02 0.93) = 0.030% HG3 LYS+ 81 - QD1 ILE 68 8.333% * 0.0272% (0.12 1.0 0.02 0.02) = 0.027% QB ALA 37 - QD1 ILE 68 8.333% * 0.0151% (0.07 1.0 0.02 0.02) = 0.015% Peak 3797 (1.63, 0.73, 14.31 ppm): 11 chemical-shift based assignments, quality = 0.404, support = 4.74, residual support = 90.2: * O HB ILE 68 - QD1 ILE 68 9.091% * 97.2412% (0.41 10.0 4.87 92.71) = 97.241% kept HG LEU 43 - QD1 ILE 68 9.091% * 1.6245% (0.41 1.0 0.33 0.61) = 1.625% kept HG2 ARG+ 22 - QD1 ILE 68 9.091% * 0.6632% (0.28 1.0 0.20 0.02) = 0.663% HG LEU 23 - QD1 ILE 68 9.091% * 0.1019% (0.43 1.0 0.02 0.02) = 0.102% HG12 ILE 101 - QD1 ILE 68 9.091% * 0.0992% (0.42 1.0 0.02 0.10) = 0.099% HB VAL 122 - QD1 ILE 68 9.091% * 0.0972% (0.41 1.0 0.02 0.02) = 0.097% HG3 LYS+ 78 - QD1 ILE 68 9.091% * 0.0746% (0.31 1.0 0.02 0.02) = 0.075% HG2 LYS+ 110 - QD1 ILE 68 9.091% * 0.0386% (0.16 1.0 0.02 0.02) = 0.039% HB3 PRO 52 - QD1 ILE 68 9.091% * 0.0256% (0.11 1.0 0.02 0.02) = 0.026% HG3 ARG+ 84 - QD1 ILE 68 9.091% * 0.0180% (0.08 1.0 0.02 0.41) = 0.018% HD3 LYS+ 32 - QD1 ILE 68 9.091% * 0.0159% (0.07 1.0 0.02 0.02) = 0.016% Peak 3798 (2.20, 0.83, 15.60 ppm): 30 chemical-shift based assignments, quality = 0.456, support = 1.25, residual support = 1.77: HG2 PRO 112 - QD1 ILE 29 3.333% * 20.1290% (0.98 0.66 0.85) = 20.129% kept HB2 GLU- 50 - QD1 ILE 29 3.333% * 14.8891% (0.37 1.28 0.13) = 14.889% kept HB2 GLU- 50 - QG1 VAL 13 3.333% * 14.7163% (0.37 1.28 0.13) = 14.716% kept HB2 PRO 52 - QG1 VAL 13 3.333% * 13.0734% (0.15 2.77 8.43) = 13.073% kept HB2 PRO 52 - QD1 ILE 29 3.333% * 12.5872% (0.15 2.64 3.62) = 12.587% kept HG2 PRO 112 - QG1 VAL 13 3.333% * 5.3619% (0.97 0.18 0.02) = 5.362% kept HB2 ASP- 82 - QG1 VAL 13 3.333% * 3.8734% (0.37 0.34 0.02) = 3.873% kept HG3 GLU- 18 - QG1 VAL 13 3.333% * 3.1489% (0.30 0.33 0.02) = 3.149% kept HB VAL 99 - QG1 VAL 13 3.333% * 2.8277% (0.59 0.15 0.02) = 2.828% kept HA1 GLY 58 - QG1 VAL 13 3.333% * 2.0796% (0.47 0.14 0.02) = 2.080% kept HB VAL 99 - QD1 ILE 29 3.333% * 1.4738% (0.60 0.08 0.02) = 1.474% kept HB2 ASP- 82 - QD1 ILE 29 3.333% * 0.9592% (0.37 0.08 0.02) = 0.959% HG2 MET 126 - QD1 ILE 29 3.333% * 0.6124% (0.98 0.02 0.02) = 0.612% HG2 MET 126 - QG1 VAL 13 3.333% * 0.6063% (0.97 0.02 0.02) = 0.606% HG3 MET 126 - QD1 ILE 29 3.333% * 0.3748% (0.60 0.02 0.02) = 0.375% HG3 MET 126 - QG1 VAL 13 3.333% * 0.3710% (0.59 0.02 0.02) = 0.371% HB3 PRO 104 - QD1 ILE 29 3.333% * 0.3498% (0.56 0.02 0.02) = 0.350% HB3 PRO 104 - QG1 VAL 13 3.333% * 0.3463% (0.55 0.02 0.02) = 0.346% HG3 MET 97 - QD1 ILE 29 3.333% * 0.3007% (0.48 0.02 0.02) = 0.301% HA1 GLY 58 - QD1 ILE 29 3.333% * 0.3007% (0.48 0.02 0.02) = 0.301% HG3 MET 97 - QG1 VAL 13 3.333% * 0.2978% (0.47 0.02 0.02) = 0.298% HG2 GLN 102 - QD1 ILE 29 3.333% * 0.2108% (0.34 0.02 0.02) = 0.211% HG2 GLN 102 - QG1 VAL 13 3.333% * 0.2087% (0.33 0.02 0.02) = 0.209% HG3 GLU- 18 - QD1 ILE 29 3.333% * 0.1907% (0.30 0.02 0.02) = 0.191% HG3 GLN 102 - QD1 ILE 29 3.333% * 0.1376% (0.22 0.02 0.02) = 0.138% HG3 GLN 102 - QG1 VAL 13 3.333% * 0.1362% (0.22 0.02 0.02) = 0.136% HB3 GLU- 75 - QD1 ILE 29 3.333% * 0.1242% (0.20 0.02 0.02) = 0.124% HB3 GLU- 75 - QG1 VAL 13 3.333% * 0.1230% (0.20 0.02 0.56) = 0.123% HG3 GLU- 109 - QD1 ILE 29 3.333% * 0.0953% (0.15 0.02 0.02) = 0.095% HG3 GLU- 109 - QG1 VAL 13 3.333% * 0.0944% (0.15 0.02 0.02) = 0.094% Peak 3799 (2.39, 0.83, 15.60 ppm): 8 chemical-shift based assignments, quality = 0.835, support = 2.37, residual support = 16.1: * HB3 ASP- 28 - QD1 ILE 29 12.500% * 59.9702% (0.97 3.40 26.71) = 59.970% kept HB3 GLU- 50 - QG1 VAL 13 12.500% * 11.6811% (0.51 1.25 0.13) = 11.681% kept HB3 GLU- 50 - QD1 ILE 29 12.500% * 9.5937% (0.52 1.01 0.13) = 9.594% kept HG2 PRO 112 - QD1 ILE 29 12.500% * 8.1201% (0.68 0.66 0.85) = 8.120% kept HB3 ASP- 28 - QG1 VAL 13 12.500% * 6.6734% (0.96 0.38 0.02) = 6.673% kept HG2 PRO 112 - QG1 VAL 13 12.500% * 2.1630% (0.67 0.18 0.02) = 2.163% kept HB2 LYS+ 78 - QD1 ILE 29 12.500% * 1.5010% (0.82 0.10 0.02) = 1.501% kept HB2 LYS+ 78 - QG1 VAL 13 12.500% * 0.2975% (0.81 0.02 0.02) = 0.297% Peak 3800 (2.76, 0.83, 15.60 ppm): 2 chemical-shift based assignments, quality = 0.478, support = 0.915, residual support = 1.03: HB2 ASN 119 - QD1 ILE 29 50.000% * 63.1689% (0.48 1.08 1.43) = 63.169% kept HB2 ASN 119 - QG1 VAL 13 50.000% * 36.8311% (0.47 0.63 0.34) = 36.831% kept Peak 3801 (7.21, 0.83, 15.64 ppm): 4 chemical-shift based assignments, quality = 0.874, support = 3.16, residual support = 7.98: HN TRP 51 - QG1 VAL 13 25.000% * 35.3016% (0.88 4.08 8.37) = 35.302% kept HN TRP 51 - QD1 ILE 29 25.000% * 30.1393% (0.94 3.26 7.56) = 30.139% kept * HH2 TRP 51 - QD1 ILE 29 25.000% * 17.6378% (0.84 2.12 7.56) = 17.638% kept HH2 TRP 51 - QG1 VAL 13 25.000% * 16.9213% (0.79 2.17 8.37) = 16.921% kept Peak 3802 (6.88, 0.83, 15.64 ppm): 8 chemical-shift based assignments, quality = 0.87, support = 0.953, residual support = 8.38: HD21 ASN 119 - QD1 ILE 29 12.500% * 45.5923% (0.97 1.36 1.43) = 45.592% kept * QD PHE 21 - QD1 ILE 29 12.500% * 24.0619% (0.90 0.77 27.92) = 24.062% kept HD21 ASN 119 - QG1 VAL 13 12.500% * 17.6624% (0.91 0.56 0.34) = 17.662% kept HD22 ASN 15 - QD1 ILE 29 12.500% * 8.3573% (0.51 0.47 0.59) = 8.357% kept HZ PHE 21 - QD1 ILE 29 12.500% * 3.2172% (0.30 0.31 27.92) = 3.217% kept QD PHE 21 - QG1 VAL 13 12.500% * 0.5823% (0.84 0.02 0.02) = 0.582% HD22 ASN 15 - QG1 VAL 13 12.500% * 0.3319% (0.48 0.02 0.52) = 0.332% HZ PHE 21 - QG1 VAL 13 12.500% * 0.1947% (0.28 0.02 0.02) = 0.195% Peak 3803 (6.74, 0.83, 15.64 ppm): 4 chemical-shift based assignments, quality = 0.813, support = 1.93, residual support = 7.73: * HZ3 TRP 51 - QD1 ILE 29 25.000% * 49.4469% (0.84 1.96 7.56) = 49.447% kept HZ3 TRP 51 - QG1 VAL 13 25.000% * 47.7087% (0.79 2.02 8.37) = 47.709% kept QE TYR 83 - QG1 VAL 13 25.000% * 2.2664% (0.90 0.08 0.02) = 2.266% kept QE TYR 83 - QD1 ILE 29 25.000% * 0.5780% (0.96 0.02 0.02) = 0.578% Peak 3804 (9.31, 0.83, 15.64 ppm): 4 chemical-shift based assignments, quality = 0.601, support = 3.99, residual support = 51.3: * HN ILE 29 - QD1 ILE 29 25.000% * 80.3973% (0.67 4.60 61.33) = 80.397% kept HN LEU 23 - QD1 ILE 29 25.000% * 13.9801% (0.27 1.97 14.54) = 13.980% kept HN ILE 29 - QG1 VAL 13 25.000% * 3.5438% (0.62 0.22 0.02) = 3.544% kept HN LEU 23 - QG1 VAL 13 25.000% * 2.0788% (0.25 0.31 0.02) = 2.079% kept Peak 3805 (3.87, 0.72, 16.73 ppm): 10 chemical-shift based assignments, quality = 0.719, support = 1.38, residual support = 2.46: * HA GLU- 45 - QG2 ILE 48 10.000% * 22.0209% (0.81 1.93 9.33) = 22.021% kept HB3 SER 27 - QG2 ILE 48 10.000% * 17.7655% (0.80 1.57 0.26) = 17.765% kept HA2 GLY 114 - QG2 ILE 48 10.000% * 14.9891% (0.68 1.56 0.80) = 14.989% kept HB2 SER 85 - QG2 ILE 48 10.000% * 12.4745% (0.65 1.35 1.67) = 12.474% kept HD3 PRO 35 - QG2 ILE 48 10.000% * 9.8963% (0.71 0.99 0.22) = 9.896% kept HD2 PRO 116 - QG2 ILE 48 10.000% * 8.5912% (0.65 0.93 0.02) = 8.591% kept HB3 SER 77 - QG2 ILE 48 10.000% * 7.1500% (0.68 0.74 0.02) = 7.150% kept HB3 SER 88 - QG2 ILE 48 10.000% * 6.2859% (0.62 0.71 0.02) = 6.286% kept HD2 PRO 86 - QG2 ILE 48 10.000% * 0.7955% (0.59 0.10 0.49) = 0.796% HA LYS+ 117 - QG2 ILE 48 10.000% * 0.0312% (0.11 0.02 0.02) = 0.031% Peak 3806 (4.06, 0.72, 16.73 ppm): 5 chemical-shift based assignments, quality = 0.441, support = 3.28, residual support = 28.2: T HB3 SER 49 - QG2 ILE 48 20.000% * 73.0272% (0.34 10.00 3.54 28.98) = 73.027% kept * HB2 SER 49 - QG2 ILE 48 20.000% * 24.1421% (0.77 1.00 2.87 28.98) = 24.142% kept HB3 SER 85 - QG2 ILE 48 20.000% * 1.7270% (0.53 1.00 0.30 1.67) = 1.727% kept HB THR 38 - QG2 ILE 48 20.000% * 0.9295% (0.82 1.00 0.10 0.02) = 0.930% HA VAL 125 - QG2 ILE 48 20.000% * 0.1741% (0.80 1.00 0.02 0.17) = 0.174% Peak 3807 (7.05, 0.02, 16.81 ppm): 2 chemical-shift based assignments, quality = 0.909, support = 1.23, residual support = 4.15: * QE PHE 21 - QG2 ILE 19 50.000% * 98.6587% (0.91 1.25 4.21) = 98.659% kept QD TYR 83 - QG2 ILE 19 50.000% * 1.3413% (0.77 0.02 0.02) = 1.341% kept Peak 3808 (6.88, 0.02, 16.81 ppm): 4 chemical-shift based assignments, quality = 0.834, support = 1.9, residual support = 3.37: * QD PHE 21 - QG2 ILE 19 25.000% * 67.4079% (0.96 2.26 4.21) = 67.408% kept HZ PHE 21 - QG2 ILE 19 25.000% * 12.6612% (0.17 2.41 4.21) = 12.661% kept HD21 ASN 119 - QG2 ILE 19 25.000% * 11.1271% (0.93 0.39 0.02) = 11.127% kept HD22 ASN 15 - QG2 ILE 19 25.000% * 8.8038% (0.70 0.40 0.02) = 8.804% kept Peak 3809 (3.99, 0.02, 16.86 ppm): 4 chemical-shift based assignments, quality = 0.746, support = 3.92, residual support = 30.5: * T HB THR 95 - QG2 ILE 19 25.000% * 89.4627% (0.73 10.00 4.21 34.03) = 89.463% kept HA1 GLY 92 - QG2 ILE 19 25.000% * 9.4790% (0.96 1.00 1.59 0.71) = 9.479% kept HA THR 38 - QG2 ILE 19 25.000% * 1.0339% (0.53 1.00 0.32 0.02) = 1.034% kept HA VAL 13 - QG2 ILE 19 25.000% * 0.0244% (0.20 1.00 0.02 0.02) = 0.024% Peak 3810 (4.81, 1.48, 17.39 ppm): 4 chemical-shift based assignments, quality = 0.844, support = 0.02, residual support = 0.02: HA LEU 23 - QB ALA 70 25.000% * 32.9687% (0.94 0.02 0.02) = 32.969% kept HA GLU- 18 - QB ALA 70 25.000% * 30.6375% (0.88 0.02 0.02) = 30.638% kept HB THR 39 - QB ALA 70 25.000% * 29.6331% (0.85 0.02 0.02) = 29.633% kept HA ASN 15 - QB ALA 70 25.000% * 6.7606% (0.19 0.02 0.02) = 6.761% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 3811 (4.99, 1.48, 17.39 ppm): 4 chemical-shift based assignments, quality = 0.924, support = 2.13, residual support = 3.53: * HA SER 69 - QB ALA 70 25.000% * 83.1104% (0.97 2.45 4.25) = 83.110% kept HA ILE 68 - QB ALA 70 25.000% * 15.9287% (0.75 0.61 0.02) = 15.929% kept HA PRO 31 - QB ALA 70 25.000% * 0.5727% (0.82 0.02 0.02) = 0.573% HA MET 97 - QB ALA 70 25.000% * 0.3882% (0.55 0.02 0.02) = 0.388% Peak 3812 (7.97, 1.48, 17.39 ppm): 3 chemical-shift based assignments, quality = 0.481, support = 2.27, residual support = 2.09: * HN LYS+ 72 - QB ALA 70 33.333% * 86.8521% (0.44 2.59 2.40) = 86.852% kept HN LEU 43 - QB ALA 70 33.333% * 12.8516% (0.78 0.21 0.02) = 12.852% kept HN MET 126 - QB ALA 70 33.333% * 0.2963% (0.19 0.02 0.02) = 0.296% Peak 3813 (8.37, 1.48, 17.39 ppm): 4 chemical-shift based assignments, quality = 0.895, support = 3.54, residual support = 13.9: * HN GLY 71 - QB ALA 70 25.000% * 99.1978% (0.90 3.57 14.06) = 99.198% kept HN LYS+ 108 - QB ALA 70 25.000% * 0.3899% (0.63 0.02 0.02) = 0.390% HN ALA 103 - QB ALA 70 25.000% * 0.2262% (0.37 0.02 0.02) = 0.226% HN GLU- 109 - QB ALA 70 25.000% * 0.1860% (0.30 0.02 0.02) = 0.186% Peak 3814 (9.51, 1.48, 17.39 ppm): 2 chemical-shift based assignments, quality = 0.366, support = 2.88, residual support = 13.8: * O HN ALA 70 - QB ALA 70 50.000% * 99.7968% (0.37 10.0 2.89 13.82) = 99.797% kept HE1 TRP 51 - QB ALA 70 50.000% * 0.2032% (0.75 1.0 0.02 0.02) = 0.203% Peak 3815 (7.28, 0.94, 17.30 ppm): 1 chemical-shift based assignment, quality = 0.675, support = 0.92, residual support = 1.84: HN ILE 48 - QG2 ILE 29 100.000% *100.0000% (0.67 0.92 1.84) = 100.000% kept Peak 3816 (4.73, 0.94, 17.30 ppm): 5 chemical-shift based assignments, quality = 0.564, support = 2.42, residual support = 8.8: HA2 GLY 30 - QG2 ILE 29 20.000% * 75.5213% (0.55 3.05 11.60) = 75.521% kept HA LYS+ 20 - QG2 ILE 29 20.000% * 12.8848% (0.85 0.34 0.14) = 12.885% kept HA THR 61 - QG2 ILE 29 20.000% * 10.9727% (0.33 0.73 0.20) = 10.973% kept HA THR 39 - QG2 ILE 29 20.000% * 0.4263% (0.48 0.02 0.02) = 0.426% HA VAL 99 - QG2 ILE 29 20.000% * 0.1950% (0.22 0.02 0.02) = 0.195% Peak 3817 (4.79, 2.06, 16.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3818 (9.24, 0.86, 17.86 ppm): 1 chemical-shift based assignment, quality = 0.398, support = 4.14, residual support = 68.3: * HN ILE 100 - QG2 ILE 100 100.000% *100.0000% (0.40 4.14 68.30) = 100.000% kept Peak 3819 (8.17, 1.56, 18.43 ppm): 4 chemical-shift based assignments, quality = 0.942, support = 2.04, residual support = 10.1: * HN SER 41 - QB ALA 42 25.000% * 98.3409% (0.96 2.07 10.23) = 98.341% kept HN GLN 16 - QB ALA 42 25.000% * 0.8946% (0.90 0.02 0.02) = 0.895% HN SER 77 - QB ALA 42 25.000% * 0.5487% (0.55 0.02 0.02) = 0.549% HN ALA 33 - QB ALA 42 25.000% * 0.2158% (0.22 0.02 0.02) = 0.216% Peak 3820 (4.02, 1.43, 18.95 ppm): 5 chemical-shift based assignments, quality = 0.787, support = 0.938, residual support = 0.883: T HA THR 38 - QB ALA 91 20.000% * 97.9850% (0.79 10.00 0.96 0.90) = 97.985% kept HA VAL 13 - QB ALA 91 20.000% * 1.5694% (0.98 1.00 0.12 0.02) = 1.569% kept HB3 SER 49 - QB ALA 91 20.000% * 0.2395% (0.15 1.00 0.12 0.02) = 0.240% HB THR 95 - QB ALA 91 20.000% * 0.1554% (0.60 1.00 0.02 0.02) = 0.155% HB3 SER 85 - QB ALA 91 20.000% * 0.0507% (0.19 1.00 0.02 0.02) = 0.051% Peak 3821 (7.36, 1.14, 19.89 ppm): 1 chemical-shift based assignment, quality = 0.311, support = 1.38, residual support = 1.77: HE22 GLN 102 - QB ALA 33 100.000% *100.0000% (0.31 1.38 1.77) = 100.000% kept Peak 3822 (4.12, 0.91, 20.89 ppm): 18 chemical-shift based assignments, quality = 0.217, support = 1.84, residual support = 15.1: * O T HA LYS+ 110 - HG3 LYS+ 110 5.556% * 92.3952% (0.22 10.0 10.00 1.93 15.91) = 92.395% kept HB2 SER 88 - QG2 VAL 87 5.556% * 3.1762% (0.09 1.0 1.00 1.77 11.74) = 3.176% kept T HB3 SER 49 - HG3 LYS+ 110 5.556% * 1.4881% (0.36 1.0 10.00 0.02 0.02) = 1.488% kept T HB3 SER 49 - QG2 VAL 87 5.556% * 1.1737% (0.28 1.0 10.00 0.02 0.02) = 1.174% kept T HA LYS+ 110 - QG2 VAL 87 5.556% * 0.7288% (0.18 1.0 10.00 0.02 0.02) = 0.729% HA THR 46 - HG3 LYS+ 110 5.556% * 0.1416% (0.34 1.0 1.00 0.02 0.02) = 0.142% HA ARG+ 53 - HG3 LYS+ 110 5.556% * 0.1363% (0.33 1.0 1.00 0.02 0.02) = 0.136% HA THR 46 - QG2 VAL 87 5.556% * 0.1117% (0.27 1.0 1.00 0.02 0.02) = 0.112% HA ARG+ 53 - QG2 VAL 87 5.556% * 0.1075% (0.26 1.0 1.00 0.02 0.02) = 0.108% HA ALA 70 - HG3 LYS+ 110 5.556% * 0.0859% (0.21 1.0 1.00 0.02 0.02) = 0.086% HA2 GLY 71 - HG3 LYS+ 110 5.556% * 0.0794% (0.19 1.0 1.00 0.02 0.02) = 0.079% HA LYS+ 63 - HG3 LYS+ 110 5.556% * 0.0794% (0.19 1.0 1.00 0.02 0.02) = 0.079% HA ALA 70 - QG2 VAL 87 5.556% * 0.0677% (0.16 1.0 1.00 0.02 0.02) = 0.068% HA LYS+ 63 - QG2 VAL 87 5.556% * 0.0627% (0.15 1.0 1.00 0.02 0.02) = 0.063% HA2 GLY 71 - QG2 VAL 87 5.556% * 0.0627% (0.15 1.0 1.00 0.02 0.02) = 0.063% HB2 SER 88 - HG3 LYS+ 110 5.556% * 0.0454% (0.11 1.0 1.00 0.02 0.02) = 0.045% HA THR 24 - HG3 LYS+ 110 5.556% * 0.0323% (0.08 1.0 1.00 0.02 0.02) = 0.032% HA THR 24 - QG2 VAL 87 5.556% * 0.0255% (0.06 1.0 1.00 0.02 0.02) = 0.025% Peak 3823 (7.39, 0.70, 21.22 ppm): 4 chemical-shift based assignments, quality = 0.642, support = 2.61, residual support = 24.4: HN GLU- 64 - QG1 VAL 65 25.000% * 92.0380% (0.67 2.81 26.51) = 92.038% kept HN GLU- 64 - QG2 THR 96 25.000% * 4.7450% (0.28 0.35 0.02) = 4.745% kept HE22 GLN 102 - QG1 VAL 65 25.000% * 3.0544% (0.40 0.16 0.64) = 3.054% kept HE22 GLN 102 - QG2 THR 96 25.000% * 0.1627% (0.17 0.02 0.02) = 0.163% Peak 3824 (4.21, 0.70, 21.22 ppm): 16 chemical-shift based assignments, quality = 0.492, support = 2.12, residual support = 9.83: T HB3 SER 49 - QG1 VAL 65 6.250% * 55.3462% (0.68 1.0 10.00 1.33 0.10) = 55.346% kept * O T HA VAL 65 - QG1 VAL 65 6.250% * 32.9649% (0.27 10.0 10.00 4.05 29.62) = 32.965% kept T HA SER 49 - QG1 VAL 65 6.250% * 7.6413% (0.22 1.0 10.00 0.58 0.10) = 7.641% kept T HB3 SER 49 - QG2 THR 96 6.250% * 2.8871% (0.28 1.0 10.00 0.17 0.02) = 2.887% kept T HA VAL 73 - QG1 VAL 65 6.250% * 0.2640% (0.22 1.0 10.00 0.02 0.02) = 0.264% T HA GLU- 109 - QG2 THR 96 6.250% * 0.1845% (0.15 1.0 10.00 0.02 0.02) = 0.185% T HA VAL 65 - QG2 THR 96 6.250% * 0.1367% (0.11 1.0 10.00 0.02 0.02) = 0.137% HA ASP- 82 - QG1 VAL 65 6.250% * 0.1183% (0.97 1.0 1.00 0.02 0.02) = 0.118% T HA SER 49 - QG2 THR 96 6.250% * 0.1095% (0.09 1.0 10.00 0.02 0.02) = 0.109% T HA VAL 73 - QG2 THR 96 6.250% * 0.1095% (0.09 1.0 10.00 0.02 0.02) = 0.109% HA GLU- 12 - QG1 VAL 65 6.250% * 0.0814% (0.67 1.0 1.00 0.02 0.02) = 0.081% HA ASP- 82 - QG2 THR 96 6.250% * 0.0491% (0.40 1.0 1.00 0.02 0.02) = 0.049% HA GLU- 109 - QG1 VAL 65 6.250% * 0.0445% (0.37 1.0 1.00 0.02 0.02) = 0.044% HA GLU- 12 - QG2 THR 96 6.250% * 0.0338% (0.28 1.0 1.00 0.02 0.02) = 0.034% HA ALA 42 - QG1 VAL 65 6.250% * 0.0208% (0.17 1.0 1.00 0.02 0.02) = 0.021% HA ALA 42 - QG2 THR 96 6.250% * 0.0086% (0.07 1.0 1.00 0.02 0.02) = 0.009% Peak 3825 (4.38, 1.08, 21.52 ppm): 30 chemical-shift based assignments, quality = 0.585, support = 3.14, residual support = 26.4: * O HA THR 95 - QG2 THR 95 3.333% * 79.8375% (0.68 10.0 1.00 3.23 30.02) = 79.838% kept O T HB THR 61 - QG2 THR 61 3.333% * 11.2520% (0.10 10.0 10.00 3.68 17.56) = 11.252% kept HA LYS+ 60 - QG2 THR 61 3.333% * 3.3451% (0.15 1.0 1.00 3.79 15.13) = 3.345% kept HA LYS+ 60 - QG2 THR 95 3.333% * 1.7454% (0.75 1.0 1.00 0.39 0.02) = 1.745% kept HB THR 61 - QG2 THR 95 3.333% * 1.7081% (0.48 1.0 1.00 0.60 0.02) = 1.708% kept T HA ALA 37 - QG2 THR 95 3.333% * 1.0082% (0.85 1.0 10.00 0.02 0.02) = 1.008% kept T HA ALA 37 - QG2 THR 61 3.333% * 0.2005% (0.17 1.0 10.00 0.02 0.02) = 0.201% HA ALA 91 - QG2 THR 95 3.333% * 0.1160% (0.98 1.0 1.00 0.02 0.02) = 0.116% HA SER 88 - QG2 THR 95 3.333% * 0.1152% (0.98 1.0 1.00 0.02 0.02) = 0.115% HA SER 27 - QG2 THR 95 3.333% * 0.1042% (0.88 1.0 1.00 0.02 0.02) = 0.104% HA ASN 57 - QG2 THR 95 3.333% * 0.0844% (0.71 1.0 1.00 0.02 0.02) = 0.084% HA TRP 51 - QG2 THR 95 3.333% * 0.0844% (0.71 1.0 1.00 0.02 0.02) = 0.084% HA PRO 104 - QG2 THR 95 3.333% * 0.0658% (0.56 1.0 1.00 0.02 0.02) = 0.066% HA2 GLY 26 - QG2 THR 95 3.333% * 0.0436% (0.37 1.0 1.00 0.02 0.02) = 0.044% HA PRO 112 - QG2 THR 95 3.333% * 0.0436% (0.37 1.0 1.00 0.02 0.02) = 0.044% HA PRO 116 - QG2 THR 95 3.333% * 0.0359% (0.30 1.0 1.00 0.02 0.02) = 0.036% HA PRO 86 - QG2 THR 95 3.333% * 0.0290% (0.25 1.0 1.00 0.02 0.02) = 0.029% HA ALA 91 - QG2 THR 61 3.333% * 0.0231% (0.20 1.0 1.00 0.02 0.02) = 0.023% HA SER 88 - QG2 THR 61 3.333% * 0.0229% (0.19 1.0 1.00 0.02 0.02) = 0.023% HA SER 27 - QG2 THR 61 3.333% * 0.0207% (0.18 1.0 1.00 0.02 0.02) = 0.021% HA HIS+ 14 - QG2 THR 95 3.333% * 0.0179% (0.15 1.0 1.00 0.02 0.02) = 0.018% HA ASN 57 - QG2 THR 61 3.333% * 0.0168% (0.14 1.0 1.00 0.02 0.02) = 0.017% HA TRP 51 - QG2 THR 61 3.333% * 0.0168% (0.14 1.0 1.00 0.02 0.02) = 0.017% HA THR 95 - QG2 THR 61 3.333% * 0.0159% (0.13 1.0 1.00 0.02 0.02) = 0.016% HA PRO 104 - QG2 THR 61 3.333% * 0.0131% (0.11 1.0 1.00 0.02 0.02) = 0.013% HA PRO 112 - QG2 THR 61 3.333% * 0.0087% (0.07 1.0 1.00 0.02 0.11) = 0.009% HA2 GLY 26 - QG2 THR 61 3.333% * 0.0087% (0.07 1.0 1.00 0.02 0.02) = 0.009% HA PRO 116 - QG2 THR 61 3.333% * 0.0071% (0.06 1.0 1.00 0.02 0.02) = 0.007% HA PRO 86 - QG2 THR 61 3.333% * 0.0058% (0.05 1.0 1.00 0.02 0.02) = 0.006% HA HIS+ 14 - QG2 THR 61 3.333% * 0.0036% (0.03 1.0 1.00 0.02 0.02) = 0.004% Peak 3826 (4.87, 1.08, 21.52 ppm): 6 chemical-shift based assignments, quality = 0.591, support = 2.77, residual support = 22.2: HA THR 96 - QG2 THR 95 16.667% * 55.9634% (0.56 3.59 17.55) = 55.963% kept * HA ILE 19 - QG2 THR 95 16.667% * 36.2210% (0.64 2.03 34.03) = 36.221% kept HA ASP- 115 - QG2 THR 95 16.667% * 5.6778% (0.82 0.25 0.02) = 5.678% kept HA ILE 19 - QG2 THR 61 16.667% * 1.9843% (0.13 0.56 0.47) = 1.984% kept HA ASP- 115 - QG2 THR 61 16.667% * 0.0915% (0.16 0.02 0.02) = 0.092% HA THR 96 - QG2 THR 61 16.667% * 0.0620% (0.11 0.02 0.02) = 0.062% Peak 3828 (5.36, 1.38, 22.41 ppm): 1 chemical-shift based assignment, quality = 0.753, support = 4.69, residual support = 16.0: HA THR 79 - QG2 THR 39 100.000% *100.0000% (0.75 4.69 16.04) = 100.000% kept Peak 3829 (4.74, 1.10, 22.26 ppm): 4 chemical-shift based assignments, quality = 0.375, support = 2.14, residual support = 6.57: HA LYS+ 20 - QG2 THR 79 25.000% * 38.8333% (0.56 1.57 1.30) = 38.833% kept HA THR 39 - QG2 THR 79 25.000% * 37.2737% (0.25 3.36 16.04) = 37.274% kept HA2 GLY 30 - QG2 THR 79 25.000% * 16.8565% (0.31 1.25 0.20) = 16.857% kept HA THR 61 - QG2 THR 79 25.000% * 7.0365% (0.16 0.99 0.80) = 7.037% kept Peak 3830 (3.47, -0.11, 21.88 ppm): 6 chemical-shift based assignments, quality = 0.725, support = 2.02, residual support = 3.38: HA VAL 80 - QD1 LEU 43 16.667% * 31.3370% (0.74 2.59 4.17) = 31.337% kept * HA VAL 40 - QD1 LEU 43 16.667% * 28.2932% (0.71 2.46 4.76) = 28.293% kept HD3 PRO 31 - QD1 LEU 43 16.667% * 15.8006% (0.95 1.02 2.32) = 15.801% kept HA1 GLY 71 - QD1 LEU 43 16.667% * 11.1042% (0.97 0.70 0.14) = 11.104% kept HA VAL 62 - QD1 LEU 43 16.667% * 10.4542% (0.27 2.37 3.21) = 10.454% kept HA1 GLY 30 - QD1 LEU 43 16.667% * 3.0108% (0.19 0.96 0.10) = 3.011% kept Peak 3831 (2.59, -0.11, 21.88 ppm): 5 chemical-shift based assignments, quality = 0.51, support = 2.5, residual support = 13.5: * T HB2 PHE 34 - QD1 LEU 43 20.000% * 90.2465% (0.47 10.00 2.66 14.98) = 90.247% kept HB3 PRO 35 - QD1 LEU 43 20.000% * 8.9909% (0.92 1.00 1.03 0.02) = 8.991% kept HG2 MET 118 - QD1 LEU 43 20.000% * 0.7040% (0.59 1.00 0.13 0.02) = 0.704% HG2 PRO 112 - QD1 LEU 43 20.000% * 0.0335% (0.18 1.00 0.02 0.02) = 0.034% HE3 LYS+ 20 - QD1 LEU 43 20.000% * 0.0251% (0.13 1.00 0.02 0.02) = 0.025% Peak 3832 (2.44, 0.39, 21.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3833 (8.22, 0.68, 21.70 ppm): 20 chemical-shift based assignments, quality = 0.931, support = 3.57, residual support = 47.8: * HN VAL 94 - QG2 VAL 94 5.000% * 89.6843% (0.97 3.96 53.31) = 89.684% kept HN VAL 105 - QG2 VAL 94 5.000% * 5.6437% (0.97 0.25 0.02) = 5.644% kept HN LEU 67 - QG2 VAL 94 5.000% * 2.0176% (0.36 0.24 0.02) = 2.018% kept HN ALA 11 - QG2 VAL 94 5.000% * 0.4288% (0.92 0.02 0.02) = 0.429% HN GLU- 45 - QG2 VAL 94 5.000% * 0.4065% (0.87 0.02 0.02) = 0.407% HN SER 49 - QG2 VAL 94 5.000% * 0.2933% (0.63 0.02 0.02) = 0.293% HN GLY 58 - QG2 VAL 94 5.000% * 0.2207% (0.47 0.02 0.02) = 0.221% HN LYS+ 81 - QG2 VAL 94 5.000% * 0.1701% (0.36 0.02 0.28) = 0.170% HN VAL 94 - QG2 THR 96 5.000% * 0.1406% (0.30 0.02 0.56) = 0.141% HN VAL 105 - QG2 THR 96 5.000% * 0.1403% (0.30 0.02 0.02) = 0.140% HN ALA 11 - QG2 THR 96 5.000% * 0.1330% (0.28 0.02 0.02) = 0.133% HN GLU- 45 - QG2 THR 96 5.000% * 0.1261% (0.27 0.02 0.02) = 0.126% HN GLU- 12 - QG2 VAL 94 5.000% * 0.1260% (0.27 0.02 0.02) = 0.126% HN ALA 33 - QG2 VAL 94 5.000% * 0.1260% (0.27 0.02 0.02) = 0.126% HN SER 49 - QG2 THR 96 5.000% * 0.0909% (0.19 0.02 0.02) = 0.091% HN GLY 58 - QG2 THR 96 5.000% * 0.0684% (0.15 0.02 0.02) = 0.068% HN LEU 67 - QG2 THR 96 5.000% * 0.0528% (0.11 0.02 0.02) = 0.053% HN LYS+ 81 - QG2 THR 96 5.000% * 0.0528% (0.11 0.02 0.02) = 0.053% HN GLU- 12 - QG2 THR 96 5.000% * 0.0391% (0.08 0.02 0.02) = 0.039% HN ALA 33 - QG2 THR 96 5.000% * 0.0391% (0.08 0.02 0.02) = 0.039% Peak 3834 (4.26, 0.68, 21.72 ppm): 42 chemical-shift based assignments, quality = 0.715, support = 3.66, residual support = 48.6: * O HA VAL 94 - QG2 VAL 94 2.381% * 90.9230% (0.73 10.0 3.95 53.31) = 90.923% kept HA GLU- 56 - QG2 VAL 94 2.381% * 5.9580% (0.92 1.0 1.04 1.53) = 5.958% kept HA GLU- 64 - QG2 THR 96 2.381% * 0.9045% (0.27 1.0 0.54 0.02) = 0.904% HA SER 85 - QG2 VAL 94 2.381% * 0.5698% (0.76 1.0 0.12 0.02) = 0.570% HA GLU- 64 - QG2 VAL 94 2.381% * 0.1190% (0.95 1.0 0.02 0.02) = 0.119% HA GLU- 75 - QG2 VAL 94 2.381% * 0.1187% (0.95 1.0 0.02 0.02) = 0.119% HA ASN 119 - QG2 VAL 94 2.381% * 0.0994% (0.79 1.0 0.02 0.02) = 0.099% HA GLU- 107 - QG2 VAL 94 2.381% * 0.0994% (0.79 1.0 0.02 0.02) = 0.099% HA ARG+ 84 - QG2 VAL 94 2.381% * 0.0953% (0.76 1.0 0.02 0.02) = 0.095% HA ASN 76 - QG2 VAL 94 2.381% * 0.0953% (0.76 1.0 0.02 0.02) = 0.095% HA PRO 52 - QG2 VAL 94 2.381% * 0.0953% (0.76 1.0 0.02 0.02) = 0.095% HA ALA 11 - QG2 VAL 94 2.381% * 0.0864% (0.69 1.0 0.02 0.02) = 0.086% HA VAL 122 - QG2 VAL 94 2.381% * 0.0674% (0.54 1.0 0.02 0.02) = 0.067% HB3 SER 49 - QG2 THR 96 2.381% * 0.0663% (0.06 1.0 0.17 0.02) = 0.066% HA LEU 90 - QG2 VAL 94 2.381% * 0.0579% (0.46 1.0 0.02 0.02) = 0.058% HA PRO 59 - QG2 VAL 94 2.381% * 0.0579% (0.46 1.0 0.02 0.02) = 0.058% HB3 CYS 121 - QG2 VAL 94 2.381% * 0.0367% (0.29 1.0 0.02 0.02) = 0.037% HA GLU- 75 - QG2 THR 96 2.381% * 0.0337% (0.27 1.0 0.02 0.02) = 0.034% HA GLU- 56 - QG2 THR 96 2.381% * 0.0326% (0.26 1.0 0.02 0.02) = 0.033% HA GLU- 54 - QG2 VAL 94 2.381% * 0.0297% (0.24 1.0 0.02 0.02) = 0.030% HA LYS+ 108 - QG2 VAL 94 2.381% * 0.0297% (0.24 1.0 0.02 0.02) = 0.030% HA GLU- 10 - QG2 VAL 94 2.381% * 0.0297% (0.24 1.0 0.02 0.02) = 0.030% HA GLU- 107 - QG2 THR 96 2.381% * 0.0282% (0.23 1.0 0.02 0.02) = 0.028% HA ASN 119 - QG2 THR 96 2.381% * 0.0282% (0.23 1.0 0.02 0.02) = 0.028% HB3 SER 49 - QG2 VAL 94 2.381% * 0.0279% (0.22 1.0 0.02 0.02) = 0.028% HA ARG+ 84 - QG2 THR 96 2.381% * 0.0270% (0.22 1.0 0.02 0.02) = 0.027% HA PRO 52 - QG2 THR 96 2.381% * 0.0270% (0.22 1.0 0.02 0.02) = 0.027% HA SER 85 - QG2 THR 96 2.381% * 0.0270% (0.22 1.0 0.02 0.51) = 0.027% HA ASN 76 - QG2 THR 96 2.381% * 0.0270% (0.22 1.0 0.02 0.02) = 0.027% HA THR 106 - QG2 VAL 94 2.381% * 0.0265% (0.21 1.0 0.02 0.02) = 0.026% HA VAL 94 - QG2 THR 96 2.381% * 0.0258% (0.21 1.0 0.02 0.56) = 0.026% HA ALA 11 - QG2 THR 96 2.381% * 0.0245% (0.20 1.0 0.02 0.02) = 0.025% HA CYS 121 - QG2 VAL 94 2.381% * 0.0235% (0.19 1.0 0.02 0.02) = 0.024% HA VAL 122 - QG2 THR 96 2.381% * 0.0191% (0.15 1.0 0.02 0.02) = 0.019% HA LEU 90 - QG2 THR 96 2.381% * 0.0164% (0.13 1.0 0.02 0.02) = 0.016% HA PRO 59 - QG2 THR 96 2.381% * 0.0164% (0.13 1.0 0.02 0.02) = 0.016% HB3 CYS 121 - QG2 THR 96 2.381% * 0.0104% (0.08 1.0 0.02 0.02) = 0.010% HA GLU- 54 - QG2 THR 96 2.381% * 0.0084% (0.07 1.0 0.02 0.02) = 0.008% HA LYS+ 108 - QG2 THR 96 2.381% * 0.0084% (0.07 1.0 0.02 0.02) = 0.008% HA GLU- 10 - QG2 THR 96 2.381% * 0.0084% (0.07 1.0 0.02 0.02) = 0.008% HA THR 106 - QG2 THR 96 2.381% * 0.0075% (0.06 1.0 0.02 0.02) = 0.008% HA CYS 121 - QG2 THR 96 2.381% * 0.0067% (0.05 1.0 0.02 0.02) = 0.007% Peak 3835 (4.80, 0.92, 21.14 ppm): 12 chemical-shift based assignments, quality = 0.515, support = 0.505, residual support = 0.418: HA LEU 23 - QG2 VAL 87 8.333% * 28.9245% (0.66 0.47 0.45) = 28.925% kept HA GLU- 18 - HG3 LYS+ 110 8.333% * 24.0323% (0.72 0.36 0.02) = 24.032% kept HA ASN 15 - QG2 VAL 87 8.333% * 19.3662% (0.20 1.03 1.41) = 19.366% kept HA GLU- 18 - QG2 VAL 87 8.333% * 15.0847% (0.51 0.32 0.02) = 15.085% kept HA LEU 23 - QG2 VAL 105 8.333% * 5.2812% (0.16 0.36 0.12) = 5.281% kept HA ASN 15 - QG2 VAL 105 8.333% * 2.4601% (0.05 0.55 0.02) = 2.460% kept HA LEU 23 - HG3 LYS+ 110 8.333% * 1.7355% (0.94 0.02 0.02) = 1.735% kept HB THR 39 - HG3 LYS+ 110 8.333% * 1.2602% (0.68 0.02 0.02) = 1.260% kept HB THR 39 - QG2 VAL 87 8.333% * 0.8877% (0.48 0.02 0.02) = 0.888% HA ASN 15 - HG3 LYS+ 110 8.333% * 0.5356% (0.29 0.02 0.02) = 0.536% HA GLU- 18 - QG2 VAL 105 8.333% * 0.2214% (0.12 0.02 0.02) = 0.221% HB THR 39 - QG2 VAL 105 8.333% * 0.2104% (0.11 0.02 0.02) = 0.210% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 3836 (7.99, 1.42, 21.50 ppm): 8 chemical-shift based assignments, quality = 0.859, support = 4.26, residual support = 19.9: HN LEU 43 - HD3 LYS+ 44 12.500% * 70.2892% (0.89 5.35 27.85) = 70.289% kept * HN LEU 43 - QG2 THR 38 12.500% * 23.8462% (0.81 1.99 1.46) = 23.846% kept HN MET 126 - HD3 LYS+ 44 12.500% * 5.3296% (0.74 0.49 0.02) = 5.330% kept HN MET 126 - QG2 THR 38 12.500% * 0.1988% (0.67 0.02 0.02) = 0.199% HN LYS+ 111 - HD3 LYS+ 44 12.500% * 0.0878% (0.30 0.02 0.02) = 0.088% HN SER 27 - HD3 LYS+ 44 12.500% * 0.0878% (0.30 0.02 0.02) = 0.088% HN SER 27 - QG2 THR 38 12.500% * 0.0803% (0.27 0.02 0.02) = 0.080% HN LYS+ 111 - QG2 THR 38 12.500% * 0.0803% (0.27 0.02 0.02) = 0.080% Peak 3837 (7.87, 1.42, 21.50 ppm): 8 chemical-shift based assignments, quality = 0.672, support = 3.75, residual support = 32.8: * HN THR 38 - QG2 THR 38 12.500% * 47.6026% (0.85 3.45 20.35) = 47.603% kept HN LYS+ 44 - HD3 LYS+ 44 12.500% * 40.9935% (0.51 4.98 56.31) = 40.993% kept HN LYS+ 44 - QG2 THR 38 12.500% * 6.4920% (0.46 0.86 0.02) = 6.492% kept HN LEU 90 - QG2 THR 38 12.500% * 2.9018% (0.64 0.28 0.02) = 2.902% kept HN THR 38 - HD3 LYS+ 44 12.500% * 1.1861% (0.93 0.08 0.02) = 1.186% kept HD22 ASN 89 - HD3 LYS+ 44 12.500% * 0.3119% (0.96 0.02 0.02) = 0.312% HD22 ASN 89 - QG2 THR 38 12.500% * 0.2851% (0.88 0.02 0.02) = 0.285% HN LEU 90 - HD3 LYS+ 44 12.500% * 0.2270% (0.70 0.02 0.02) = 0.227% Peak 3838 (7.73, 1.42, 21.50 ppm): 10 chemical-shift based assignments, quality = 0.843, support = 2.77, residual support = 4.2: * HN ALA 42 - QG2 THR 38 10.000% * 51.7191% (0.88 3.31 5.57) = 51.719% kept HN ALA 42 - HD3 LYS+ 44 10.000% * 38.3563% (0.96 2.24 2.23) = 38.356% kept HN ALA 37 - QG2 THR 38 10.000% * 8.6933% (0.22 2.23 5.32) = 8.693% kept HN VAL 125 - HD3 LYS+ 44 10.000% * 0.4242% (0.27 0.09 0.02) = 0.424% HN SER 124 - HD3 LYS+ 44 10.000% * 0.3410% (0.21 0.09 0.02) = 0.341% HN VAL 13 - HD3 LYS+ 44 10.000% * 0.1169% (0.33 0.02 0.02) = 0.117% HN VAL 13 - QG2 THR 38 10.000% * 0.1068% (0.30 0.02 0.02) = 0.107% HN VAL 125 - QG2 THR 38 10.000% * 0.0871% (0.24 0.02 0.02) = 0.087% HN ALA 37 - HD3 LYS+ 44 10.000% * 0.0855% (0.24 0.02 0.02) = 0.085% HN SER 124 - QG2 THR 38 10.000% * 0.0697% (0.20 0.02 0.02) = 0.070% Peak 3839 (8.36, 1.32, 21.76 ppm): 5 chemical-shift based assignments, quality = 0.814, support = 0.479, residual support = 0.156: HN ALA 103 - QG2 THR 46 20.000% * 46.2431% (0.83 0.72 0.31) = 46.243% kept HN LYS+ 108 - QG2 THR 46 20.000% * 21.3995% (0.99 0.28 0.02) = 21.399% kept HN GLU- 109 - QG2 THR 46 20.000% * 14.3044% (0.76 0.24 0.02) = 14.304% kept HN GLY 71 - QG2 THR 46 20.000% * 9.4073% (0.92 0.13 0.02) = 9.407% kept * HN GLU- 50 - QG2 THR 46 20.000% * 8.6458% (0.25 0.45 0.02) = 8.646% kept Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 3840 (8.24, 1.32, 21.76 ppm): 11 chemical-shift based assignments, quality = 0.828, support = 2.14, residual support = 3.58: HN LYS+ 81 - QG2 THR 46 9.091% * 39.7933% (1.00 3.18 3.57) = 39.793% kept * HN SER 49 - QG2 THR 46 9.091% * 15.5921% (0.89 1.39 0.02) = 15.592% kept HN GLU- 12 - QG2 THR 46 9.091% * 9.7087% (0.98 0.79 0.27) = 9.709% kept HN GLU- 45 - QG2 THR 46 9.091% * 8.5120% (0.17 3.88 24.18) = 8.512% kept HN VAL 105 - QG2 THR 46 9.091% * 8.1116% (0.34 1.90 0.88) = 8.112% kept HN LEU 67 - QG2 THR 46 9.091% * 7.9649% (1.00 0.64 0.02) = 7.965% kept HN GLY 58 - QG2 THR 46 9.091% * 5.2648% (0.98 0.43 0.02) = 5.265% kept HN THR 106 - QG2 THR 46 9.091% * 3.2743% (0.61 0.43 0.02) = 3.274% kept HN ALA 11 - QG2 THR 46 9.091% * 1.5526% (0.22 0.56 0.16) = 1.553% kept HN ASP- 115 - QG2 THR 46 9.091% * 0.1318% (0.53 0.02 0.02) = 0.132% HN VAL 94 - QG2 THR 46 9.091% * 0.0940% (0.37 0.02 0.02) = 0.094% Peak 3841 (8.23, 1.11, 21.74 ppm): 33 chemical-shift based assignments, quality = 0.131, support = 1.56, residual support = 7.89: HN VAL 94 - QG2 THR 95 3.030% * 34.0383% (0.12 2.66 22.36) = 34.038% kept * HN LYS+ 81 - QG2 THR 79 3.030% * 26.0608% (0.12 2.08 1.01) = 26.061% kept HN LYS+ 81 - QG2 THR 95 3.030% * 10.1971% (0.16 0.63 0.02) = 10.197% kept HN LEU 67 - QG2 THR 95 3.030% * 4.5698% (0.16 0.28 0.28) = 4.570% kept HN VAL 94 - QG2 THR 79 3.030% * 3.0476% (0.10 0.31 0.02) = 3.048% kept HN GLY 58 - QG2 THR 61 3.030% * 2.9835% (0.36 0.08 0.02) = 2.984% kept HN LEU 67 - QG2 THR 79 3.030% * 2.7296% (0.12 0.22 0.02) = 2.730% kept HN LYS+ 81 - QG2 THR 61 3.030% * 2.6363% (0.33 0.08 0.02) = 2.636% kept HN VAL 94 - QG2 THR 61 3.030% * 2.1821% (0.26 0.08 0.02) = 2.182% kept HN VAL 105 - QG2 THR 95 3.030% * 1.9266% (0.12 0.16 0.02) = 1.927% kept HN THR 106 - QG2 THR 79 3.030% * 1.8744% (0.04 0.42 0.02) = 1.874% kept HN ASP- 115 - QG2 THR 95 3.030% * 1.2213% (0.04 0.26 0.02) = 1.221% kept HN SER 49 - QG2 THR 61 3.030% * 0.7959% (0.38 0.02 0.02) = 0.796% HN LEU 67 - QG2 THR 61 3.030% * 0.6919% (0.33 0.02 0.02) = 0.692% HN GLU- 12 - QG2 THR 61 3.030% * 0.6096% (0.29 0.02 0.02) = 0.610% HN VAL 105 - QG2 THR 61 3.030% * 0.5160% (0.25 0.02 0.02) = 0.516% HN ALA 11 - QG2 THR 61 3.030% * 0.3883% (0.19 0.02 0.02) = 0.388% HN SER 49 - QG2 THR 95 3.030% * 0.3722% (0.18 0.02 0.02) = 0.372% HN GLY 58 - QG2 THR 95 3.030% * 0.3529% (0.17 0.02 0.02) = 0.353% HN GLU- 45 - QG2 THR 61 3.030% * 0.3279% (0.16 0.02 0.02) = 0.328% HN SER 49 - QG2 THR 79 3.030% * 0.2876% (0.14 0.02 0.02) = 0.288% HN GLU- 12 - QG2 THR 95 3.030% * 0.2851% (0.14 0.02 0.02) = 0.285% HN GLY 58 - QG2 THR 79 3.030% * 0.2727% (0.13 0.02 0.02) = 0.273% HN THR 106 - QG2 THR 61 3.030% * 0.2462% (0.12 0.02 0.02) = 0.246% HN GLU- 12 - QG2 THR 79 3.030% * 0.2203% (0.11 0.02 0.02) = 0.220% HN ASP- 115 - QG2 THR 61 3.030% * 0.1989% (0.10 0.02 0.02) = 0.199% HN VAL 105 - QG2 THR 79 3.030% * 0.1865% (0.09 0.02 0.02) = 0.186% HN ALA 11 - QG2 THR 95 3.030% * 0.1816% (0.09 0.02 0.02) = 0.182% HN GLU- 45 - QG2 THR 95 3.030% * 0.1534% (0.07 0.02 0.02) = 0.153% HN ALA 11 - QG2 THR 79 3.030% * 0.1403% (0.07 0.02 0.02) = 0.140% HN GLU- 45 - QG2 THR 79 3.030% * 0.1185% (0.06 0.02 0.02) = 0.118% HN THR 106 - QG2 THR 95 3.030% * 0.1151% (0.06 0.02 0.02) = 0.115% HN ASP- 115 - QG2 THR 79 3.030% * 0.0719% (0.03 0.02 0.02) = 0.072% Peak 3842 (7.83, 1.11, 21.74 ppm): 9 chemical-shift based assignments, quality = 0.352, support = 2.26, residual support = 2.82: * HN LYS+ 63 - QG2 THR 61 11.111% * 88.3439% (0.38 2.48 3.19) = 88.344% kept HN LYS+ 63 - QG2 THR 79 11.111% * 9.3281% (0.14 0.72 0.02) = 9.328% kept HN ALA 93 - QG2 THR 95 11.111% * 1.0919% (0.04 0.29 0.02) = 1.092% kept HN LYS+ 55 - QG2 THR 61 11.111% * 0.3755% (0.20 0.02 0.02) = 0.375% HN LYS+ 63 - QG2 THR 95 11.111% * 0.3330% (0.18 0.02 0.02) = 0.333% HN LYS+ 55 - QG2 THR 95 11.111% * 0.1756% (0.09 0.02 0.02) = 0.176% HN ALA 93 - QG2 THR 61 11.111% * 0.1589% (0.09 0.02 0.02) = 0.159% HN LYS+ 55 - QG2 THR 79 11.111% * 0.1357% (0.07 0.02 0.02) = 0.136% HN ALA 93 - QG2 THR 79 11.111% * 0.0574% (0.03 0.02 0.02) = 0.057% Peak 3843 (8.33, 0.59, 22.44 ppm): 7 chemical-shift based assignments, quality = 0.173, support = 2.38, residual support = 7.05: * HN VAL 99 - QD1 LEU 23 14.286% * 46.9482% (0.15 3.05 13.87) = 46.948% kept HN GLU- 50 - QD1 LEU 23 14.286% * 44.3615% (0.20 2.09 1.20) = 44.361% kept HN GLY 114 - QD1 LEU 23 14.286% * 6.4902% (0.23 0.26 0.02) = 6.490% kept HN ALA 103 - QD1 LEU 23 14.286% * 1.4972% (0.06 0.24 0.02) = 1.497% kept HN ASN 76 - QD1 LEU 23 14.286% * 0.4682% (0.22 0.02 0.02) = 0.468% HN GLU- 109 - QD1 LEU 23 14.286% * 0.1565% (0.07 0.02 0.02) = 0.157% HN ALA 91 - QD1 LEU 23 14.286% * 0.0783% (0.04 0.02 0.02) = 0.078% Peak 3844 (-0.04, -0.04, 22.27 ppm): 1 diagonal assignment: * QD1 LEU 74 - QD1 LEU 74 (0.90) kept Peak 3845 (-0.11, 1.42, 21.48 ppm): 2 chemical-shift based assignments, quality = 0.883, support = 3.06, residual support = 17.2: T QD1 LEU 43 - HD3 LYS+ 44 50.000% * 59.8156% (0.92 10.00 4.13 27.85) = 59.816% kept * T QD1 LEU 43 - QG2 THR 38 50.000% * 40.1844% (0.83 10.00 1.48 1.46) = 40.184% kept Peak 3846 (2.23, 1.32, 21.79 ppm): 14 chemical-shift based assignments, quality = 0.804, support = 2.0, residual support = 14.5: HB3 GLU- 45 - QG2 THR 46 7.143% * 59.8008% (0.75 3.10 24.18) = 59.801% kept HG2 PRO 112 - QG2 THR 46 7.143% * 13.2542% (0.99 0.52 0.02) = 13.254% kept HG3 GLU- 109 - QG2 THR 46 7.143% * 11.6207% (0.99 0.46 0.02) = 11.621% kept * HB2 GLU- 50 - QG2 THR 46 7.143% * 6.5550% (0.86 0.30 0.02) = 6.555% kept HG3 GLN 102 - QG2 THR 46 7.143% * 3.8812% (0.97 0.16 0.02) = 3.881% kept HG3 GLU- 10 - QG2 THR 46 7.143% * 2.1554% (0.64 0.13 0.02) = 2.155% kept HB2 PRO 52 - QG2 THR 46 7.143% * 0.5054% (0.99 0.02 0.02) = 0.505% HG3 GLU- 18 - QG2 THR 46 7.143% * 0.4665% (0.91 0.02 0.02) = 0.467% HA1 GLY 58 - QG2 THR 46 7.143% * 0.3862% (0.75 0.02 0.02) = 0.386% HG3 MET 97 - QG2 THR 46 7.143% * 0.3862% (0.75 0.02 0.02) = 0.386% HG3 GLN 16 - QG2 THR 46 7.143% * 0.3471% (0.68 0.02 0.02) = 0.347% HG3 MET 126 - QG2 THR 46 7.143% * 0.3269% (0.64 0.02 0.02) = 0.327% HB3 ASN 15 - QG2 THR 46 7.143% * 0.2460% (0.48 0.02 0.02) = 0.246% HG3 GLU- 107 - QG2 THR 46 7.143% * 0.0684% (0.13 0.02 0.02) = 0.068% Peak 3847 (1.67, 1.08, 21.47 ppm): 20 chemical-shift based assignments, quality = 0.826, support = 1.44, residual support = 6.6: HB3 LYS+ 66 - QG2 THR 95 5.000% * 36.2496% (0.97 1.59 0.90) = 36.250% kept HB3 MET 97 - QG2 THR 95 5.000% * 34.6936% (0.99 1.49 0.61) = 34.694% kept HG13 ILE 19 - QG2 THR 95 5.000% * 17.7638% (0.41 1.86 34.03) = 17.764% kept HB3 LYS+ 81 - QG2 THR 95 5.000% * 5.7440% (0.89 0.28 0.02) = 5.744% kept HG2 ARG+ 22 - QG2 THR 95 5.000% * 1.8770% (0.34 0.24 0.84) = 1.877% kept HG13 ILE 19 - QG2 THR 61 5.000% * 0.8808% (0.08 0.46 0.47) = 0.881% HB ILE 100 - QG2 THR 61 5.000% * 0.5526% (0.20 0.12 0.02) = 0.553% HB ILE 100 - QG2 THR 95 5.000% * 0.4613% (0.98 0.02 0.02) = 0.461% HB3 MET 126 - QG2 THR 95 5.000% * 0.4562% (0.97 0.02 0.02) = 0.456% HG3 ARG+ 84 - QG2 THR 95 5.000% * 0.4037% (0.86 0.02 0.02) = 0.404% HD3 LYS+ 55 - QG2 THR 95 5.000% * 0.2449% (0.52 0.02 0.02) = 0.245% HG2 PRO 52 - QG2 THR 95 5.000% * 0.1294% (0.28 0.02 0.02) = 0.129% HB3 MET 97 - QG2 THR 61 5.000% * 0.0924% (0.20 0.02 0.02) = 0.092% HB3 MET 126 - QG2 THR 61 5.000% * 0.0907% (0.19 0.02 0.02) = 0.091% HB3 LYS+ 66 - QG2 THR 61 5.000% * 0.0907% (0.19 0.02 0.02) = 0.091% HB3 LYS+ 81 - QG2 THR 61 5.000% * 0.0830% (0.18 0.02 0.02) = 0.083% HG3 ARG+ 84 - QG2 THR 61 5.000% * 0.0803% (0.17 0.02 0.02) = 0.080% HD3 LYS+ 55 - QG2 THR 61 5.000% * 0.0487% (0.10 0.02 0.02) = 0.049% HG2 ARG+ 22 - QG2 THR 61 5.000% * 0.0316% (0.07 0.02 0.02) = 0.032% HG2 PRO 52 - QG2 THR 61 5.000% * 0.0257% (0.05 0.02 0.02) = 0.026% Peak 3848 (1.83, 0.82, 21.38 ppm): 12 chemical-shift based assignments, quality = 0.241, support = 3.32, residual support = 41.0: * O T HB VAL 94 - QG1 VAL 94 8.333% * 76.8638% (0.17 10.0 10.00 4.17 53.31) = 76.864% kept HB2 LYS+ 66 - QG1 VAL 94 8.333% * 10.4757% (0.63 1.0 1.00 0.73 0.02) = 10.476% kept HB3 LYS+ 60 - QG1 VAL 94 8.333% * 4.1087% (0.37 1.0 1.00 0.49 0.02) = 4.109% kept HG3 LYS+ 108 - QG1 VAL 94 8.333% * 3.0825% (0.52 1.0 1.00 0.26 0.02) = 3.083% kept HB2 PRO 104 - QG1 VAL 94 8.333% * 1.7710% (0.31 1.0 1.00 0.25 0.02) = 1.771% kept T HB3 LYS+ 72 - QG1 VAL 94 8.333% * 1.5478% (0.34 1.0 10.00 0.02 0.02) = 1.548% kept HB2 GLU- 109 - QG1 VAL 94 8.333% * 1.2533% (0.31 1.0 1.00 0.18 0.02) = 1.253% kept HB2 PRO 59 - QG1 VAL 94 8.333% * 0.3452% (0.76 1.0 1.00 0.02 0.02) = 0.345% HD3 LYS+ 117 - QG1 VAL 94 8.333% * 0.2507% (0.55 1.0 1.00 0.02 0.02) = 0.251% HD3 LYS+ 72 - QG1 VAL 94 8.333% * 0.1816% (0.40 1.0 1.00 0.02 0.02) = 0.182% HD2 PRO 59 - QG1 VAL 94 8.333% * 0.0683% (0.15 1.0 1.00 0.02 0.02) = 0.068% HG2 PRO 112 - QG1 VAL 94 8.333% * 0.0511% (0.11 1.0 1.00 0.02 0.02) = 0.051% Peak 3849 (1.99, 0.82, 21.38 ppm): 13 chemical-shift based assignments, quality = 0.557, support = 0.975, residual support = 1.02: T HB2 LYS+ 108 - QG1 VAL 94 7.692% * 50.8641% (0.72 10.00 0.30 0.02) = 50.864% kept HB2 GLU- 18 - QG1 VAL 94 7.692% * 20.3318% (0.34 1.00 2.53 3.64) = 20.332% kept HB3 GLU- 56 - QG1 VAL 94 7.692% * 17.4563% (0.46 1.00 1.60 1.53) = 17.456% kept HB2 PRO 86 - QG1 VAL 94 7.692% * 5.4392% (0.61 1.00 0.38 0.02) = 5.439% kept T HB3 MET 118 - QG1 VAL 94 7.692% * 2.0332% (0.43 10.00 0.02 0.02) = 2.033% kept HB3 GLU- 75 - QG1 VAL 94 7.692% * 1.7077% (0.15 1.00 0.49 0.02) = 1.708% kept HB2 HIS+ 14 - QG1 VAL 94 7.692% * 0.8017% (0.43 1.00 0.08 0.02) = 0.802% HG3 PRO 104 - QG1 VAL 94 7.692% * 0.6897% (0.37 1.00 0.08 0.02) = 0.690% HG2 PRO 112 - QG1 VAL 94 7.692% * 0.1842% (0.39 1.00 0.02 0.02) = 0.184% HG3 PRO 112 - QG1 VAL 94 7.692% * 0.1748% (0.37 1.00 0.02 0.02) = 0.175% HB VAL 73 - QG1 VAL 94 7.692% * 0.1476% (0.31 1.00 0.02 0.02) = 0.148% HG2 PRO 116 - QG1 VAL 94 7.692% * 0.0895% (0.19 1.00 0.02 0.02) = 0.090% HB3 GLU- 107 - QG1 VAL 94 7.692% * 0.0800% (0.17 1.00 0.02 0.02) = 0.080% Peak 3850 (4.01, 0.82, 21.38 ppm): 4 chemical-shift based assignments, quality = 0.671, support = 2.76, residual support = 20.8: * HB THR 95 - QG1 VAL 94 25.000% * 93.0329% (0.68 1.00 2.97 22.36) = 93.033% kept T HA VAL 13 - QG1 VAL 94 25.000% * 6.0592% (0.66 10.00 0.02 0.02) = 6.059% kept HA THR 38 - QG1 VAL 94 25.000% * 0.6923% (0.75 1.00 0.02 0.02) = 0.692% HA1 GLY 92 - QG1 VAL 94 25.000% * 0.2156% (0.23 1.00 0.02 0.02) = 0.216% Peak 3851 (3.89, 0.92, 21.03 ppm): 20 chemical-shift based assignments, quality = 0.321, support = 0.889, residual support = 8.0: * HD2 PRO 86 - QG2 VAL 87 5.000% * 33.9535% (0.43 1.00 1.52 20.31) = 33.954% kept T HB2 SER 85 - QG2 VAL 87 5.000% * 24.6790% (0.09 10.00 0.53 0.12) = 24.679% kept HD2 PRO 116 - HG3 LYS+ 110 5.000% * 9.6676% (0.75 1.00 0.25 0.02) = 9.668% kept HB3 SER 88 - QG2 VAL 87 5.000% * 8.7710% (0.08 1.00 2.12 11.74) = 8.771% kept HA GLU- 45 - HG3 LYS+ 110 5.000% * 6.9293% (0.37 1.00 0.36 0.11) = 6.929% kept T HB3 SER 27 - HG3 LYS+ 110 5.000% * 3.5418% (0.34 10.00 0.02 0.02) = 3.542% kept HD2 PRO 86 - HG3 LYS+ 110 5.000% * 3.1053% (0.79 1.00 0.08 0.02) = 3.105% kept HA GLU- 45 - QG2 VAL 87 5.000% * 2.0089% (0.20 1.00 0.19 1.57) = 2.009% kept T HB3 SER 27 - QG2 VAL 87 5.000% * 1.9427% (0.19 10.00 0.02 0.02) = 1.943% kept T HB2 SER 85 - HG3 LYS+ 110 5.000% * 1.7050% (0.16 10.00 0.02 0.02) = 1.705% kept HB2 SER 77 - QG2 VAL 87 5.000% * 0.7550% (0.19 1.00 0.08 0.02) = 0.755% HD3 PRO 35 - HG3 LYS+ 110 5.000% * 0.7196% (0.69 1.00 0.02 0.02) = 0.720% HD2 PRO 116 - QG2 VAL 87 5.000% * 0.4238% (0.41 1.00 0.02 0.02) = 0.424% HB3 SER 77 - QG2 VAL 87 5.000% * 0.4089% (0.10 1.00 0.08 0.02) = 0.409% HD3 PRO 35 - QG2 VAL 87 5.000% * 0.3947% (0.38 1.00 0.02 0.02) = 0.395% HB2 SER 77 - HG3 LYS+ 110 5.000% * 0.3542% (0.34 1.00 0.02 0.02) = 0.354% HA2 GLY 114 - HG3 LYS+ 110 5.000% * 0.1918% (0.18 1.00 0.02 0.02) = 0.192% HB3 SER 77 - HG3 LYS+ 110 5.000% * 0.1918% (0.18 1.00 0.02 0.02) = 0.192% HB3 SER 88 - HG3 LYS+ 110 5.000% * 0.1509% (0.15 1.00 0.02 0.02) = 0.151% HA2 GLY 114 - QG2 VAL 87 5.000% * 0.1052% (0.10 1.00 0.02 0.02) = 0.105% Peak 3852 (1.86, 0.68, 21.81 ppm): 22 chemical-shift based assignments, quality = 0.7, support = 3.57, residual support = 51.4: * O HB VAL 94 - QG2 VAL 94 4.545% * 96.4577% (0.71 10.0 3.69 53.31) = 96.458% kept HB3 LYS+ 60 - QG2 VAL 94 4.545% * 1.8387% (0.63 1.0 0.42 0.02) = 1.839% kept HB2 PRO 104 - QG2 VAL 94 4.545% * 1.1676% (0.67 1.0 0.26 0.02) = 1.168% kept HD2 PRO 59 - QG2 VAL 94 4.545% * 0.0958% (0.70 1.0 0.02 0.02) = 0.096% HB3 LYS+ 72 - QG2 VAL 94 4.545% * 0.0892% (0.65 1.0 0.02 0.02) = 0.089% HB3 ARG+ 84 - QG2 VAL 94 4.545% * 0.0586% (0.43 1.0 0.02 0.02) = 0.059% HB2 LYS+ 66 - QG2 VAL 94 4.545% * 0.0547% (0.40 1.0 0.02 0.02) = 0.055% HD3 PRO 52 - QG2 VAL 94 4.545% * 0.0547% (0.40 1.0 0.02 0.02) = 0.055% HG3 LYS+ 120 - QG2 VAL 94 4.545% * 0.0330% (0.24 1.0 0.02 0.02) = 0.033% HB2 PRO 59 - QG2 VAL 94 4.545% * 0.0241% (0.18 1.0 0.02 0.02) = 0.024% HG2 PRO 112 - QG2 VAL 94 4.545% * 0.0181% (0.13 1.0 0.02 0.02) = 0.018% HB VAL 94 - QG2 THR 96 4.545% * 0.0148% (0.11 1.0 0.02 0.56) = 0.015% HD2 PRO 59 - QG2 THR 96 4.545% * 0.0147% (0.11 1.0 0.02 0.02) = 0.015% HB2 PRO 104 - QG2 THR 96 4.545% * 0.0140% (0.10 1.0 0.02 0.02) = 0.014% HB3 LYS+ 72 - QG2 THR 96 4.545% * 0.0137% (0.10 1.0 0.02 0.02) = 0.014% HB3 LYS+ 60 - QG2 THR 96 4.545% * 0.0133% (0.10 1.0 0.02 0.02) = 0.013% HB3 ARG+ 84 - QG2 THR 96 4.545% * 0.0090% (0.07 1.0 0.02 0.02) = 0.009% HB2 LYS+ 66 - QG2 THR 96 4.545% * 0.0084% (0.06 1.0 0.02 0.02) = 0.008% HD3 PRO 52 - QG2 THR 96 4.545% * 0.0084% (0.06 1.0 0.02 0.02) = 0.008% HG3 LYS+ 120 - QG2 THR 96 4.545% * 0.0050% (0.04 1.0 0.02 0.02) = 0.005% HB2 PRO 59 - QG2 THR 96 4.545% * 0.0037% (0.03 1.0 0.02 0.02) = 0.004% HG2 PRO 112 - QG2 THR 96 4.545% * 0.0028% (0.02 1.0 0.02 0.02) = 0.003% Peak 3853 (1.37, 0.70, 21.81 ppm): 21 chemical-shift based assignments, quality = 0.434, support = 1.76, residual support = 4.65: T HB3 LEU 17 - QG2 VAL 94 4.762% * 41.5086% (0.48 10.00 2.34 7.19) = 41.509% kept T HB3 LYS+ 20 - QG2 VAL 94 4.762% * 34.6227% (0.51 10.00 1.58 4.01) = 34.623% kept * T HB3 LYS+ 20 - QG2 THR 96 4.762% * 13.0286% (0.27 10.00 1.13 1.78) = 13.029% kept T HB3 LEU 17 - QG2 THR 96 4.762% * 8.2232% (0.25 10.00 0.75 0.22) = 8.223% kept QG2 THR 39 - QG1 VAL 40 4.762% * 1.0770% (0.08 1.00 3.12 2.95) = 1.077% kept QG2 THR 39 - QG2 VAL 94 4.762% * 0.7424% (0.33 1.00 0.52 0.02) = 0.742% QG2 THR 39 - QG2 THR 96 4.762% * 0.4659% (0.17 1.00 0.62 0.02) = 0.466% HG13 ILE 68 - QG2 VAL 94 4.762% * 0.0862% (0.23 1.00 0.09 0.02) = 0.086% QB ALA 11 - QG2 VAL 94 4.762% * 0.0438% (0.51 1.00 0.02 0.02) = 0.044% HG3 LYS+ 81 - QG2 VAL 94 4.762% * 0.0381% (0.44 1.00 0.02 0.28) = 0.038% HG2 LYS+ 78 - QG2 VAL 94 4.762% * 0.0367% (0.43 1.00 0.02 0.02) = 0.037% QB ALA 11 - QG2 THR 96 4.762% * 0.0230% (0.27 1.00 0.02 0.02) = 0.023% HG3 LYS+ 81 - QG2 THR 96 4.762% * 0.0200% (0.23 1.00 0.02 0.02) = 0.020% HG2 LYS+ 78 - QG2 THR 96 4.762% * 0.0193% (0.22 1.00 0.02 0.02) = 0.019% HB3 LYS+ 20 - QG1 VAL 40 4.762% * 0.0107% (0.12 1.00 0.02 0.02) = 0.011% QB ALA 11 - QG1 VAL 40 4.762% * 0.0106% (0.12 1.00 0.02 0.02) = 0.011% HG13 ILE 68 - QG2 THR 96 4.762% * 0.0104% (0.12 1.00 0.02 0.02) = 0.010% HB3 LEU 17 - QG1 VAL 40 4.762% * 0.0101% (0.12 1.00 0.02 0.02) = 0.010% HG3 LYS+ 81 - QG1 VAL 40 4.762% * 0.0093% (0.11 1.00 0.02 0.02) = 0.009% HG2 LYS+ 78 - QG1 VAL 40 4.762% * 0.0089% (0.10 1.00 0.02 0.43) = 0.009% HG13 ILE 68 - QG1 VAL 40 4.762% * 0.0048% (0.06 1.00 0.02 0.02) = 0.005% Peak 3854 (1.98, 0.68, 21.81 ppm): 28 chemical-shift based assignments, quality = 0.408, support = 1.1, residual support = 1.22: HB3 GLU- 56 - QG2 VAL 94 3.571% * 39.9499% (0.59 1.00 1.51 1.53) = 39.950% kept T HB3 GLU- 75 - QG2 VAL 94 3.571% * 23.1693% (0.11 10.00 0.46 0.02) = 23.169% kept HB2 GLU- 18 - QG2 VAL 94 3.571% * 16.5346% (0.18 1.00 2.10 3.64) = 16.535% kept HB2 LYS+ 108 - QG2 VAL 94 3.571% * 8.1969% (0.71 1.00 0.26 0.02) = 8.197% kept HB2 PRO 86 - QG2 VAL 94 3.571% * 7.2338% (0.68 1.00 0.24 0.02) = 7.234% kept HG3 PRO 104 - QG2 VAL 94 3.571% * 1.8531% (0.51 1.00 0.08 0.02) = 1.853% kept HB3 GLU- 109 - QG2 VAL 94 3.571% * 0.7462% (0.18 1.00 0.09 0.02) = 0.746% HB VAL 73 - QG2 VAL 94 3.571% * 0.4089% (0.46 1.00 0.02 0.02) = 0.409% HG2 PRO 112 - QG2 VAL 94 3.571% * 0.3128% (0.35 1.00 0.02 0.02) = 0.313% HB3 MET 118 - QG2 VAL 94 3.571% * 0.2156% (0.24 1.00 0.02 0.02) = 0.216% HB2 HIS+ 14 - QG2 VAL 94 3.571% * 0.2156% (0.24 1.00 0.02 0.02) = 0.216% HG3 PRO 112 - QG2 VAL 94 3.571% * 0.1757% (0.20 1.00 0.02 0.02) = 0.176% T HB3 GLU- 75 - QG2 THR 96 3.571% * 0.1552% (0.02 10.00 0.02 0.02) = 0.155% HB VAL 13 - QG2 VAL 94 3.571% * 0.1107% (0.12 1.00 0.02 0.02) = 0.111% HG3 PRO 116 - QG2 VAL 94 3.571% * 0.0975% (0.11 1.00 0.02 0.02) = 0.098% HB2 LYS+ 108 - QG2 THR 96 3.571% * 0.0965% (0.11 1.00 0.02 0.02) = 0.097% HB2 PRO 86 - QG2 THR 96 3.571% * 0.0934% (0.10 1.00 0.02 0.02) = 0.093% HB3 GLU- 56 - QG2 THR 96 3.571% * 0.0808% (0.09 1.00 0.02 0.02) = 0.081% HG3 PRO 104 - QG2 THR 96 3.571% * 0.0702% (0.08 1.00 0.02 0.02) = 0.070% HB VAL 73 - QG2 THR 96 3.571% * 0.0626% (0.07 1.00 0.02 0.02) = 0.063% HG2 PRO 112 - QG2 THR 96 3.571% * 0.0479% (0.05 1.00 0.02 0.02) = 0.048% HB2 HIS+ 14 - QG2 THR 96 3.571% * 0.0330% (0.04 1.00 0.02 0.02) = 0.033% HB3 MET 118 - QG2 THR 96 3.571% * 0.0330% (0.04 1.00 0.02 0.02) = 0.033% HG3 PRO 112 - QG2 THR 96 3.571% * 0.0269% (0.03 1.00 0.02 0.02) = 0.027% HB3 GLU- 109 - QG2 THR 96 3.571% * 0.0241% (0.03 1.00 0.02 0.02) = 0.024% HB2 GLU- 18 - QG2 THR 96 3.571% * 0.0241% (0.03 1.00 0.02 0.02) = 0.024% HB VAL 13 - QG2 THR 96 3.571% * 0.0169% (0.02 1.00 0.02 0.02) = 0.017% HG3 PRO 116 - QG2 THR 96 3.571% * 0.0149% (0.02 1.00 0.02 0.02) = 0.015% Peak 3855 (1.45, 0.70, 21.32 ppm): 39 chemical-shift based assignments, quality = 0.55, support = 0.432, residual support = 0.481: HG13 ILE 48 - QG1 VAL 65 2.564% * 36.0674% (0.66 0.81 1.26) = 36.067% kept HG13 ILE 48 - QG2 THR 96 2.564% * 13.8780% (0.54 0.38 0.02) = 13.878% kept HG3 LYS+ 60 - QG2 THR 96 2.564% * 12.4117% (0.64 0.29 0.02) = 12.412% kept HG2 PRO 59 - QG2 THR 96 2.564% * 11.0048% (0.64 0.26 0.02) = 11.005% kept HG2 PRO 59 - QG1 VAL 65 2.564% * 5.4533% (0.78 0.10 0.02) = 5.453% kept HG3 ARG+ 22 - QG1 VAL 65 2.564% * 4.0807% (0.37 0.16 0.02) = 4.081% kept HG3 ARG+ 22 - QG2 THR 96 2.564% * 3.8232% (0.30 0.19 0.02) = 3.823% kept HB3 LEU 67 - QG1 VAL 65 2.564% * 2.3009% (0.40 0.09 0.72) = 2.301% kept HG3 LYS+ 60 - QG1 VAL 65 2.564% * 1.0474% (0.78 0.02 0.02) = 1.047% kept HG3 ARG+ 22 - QG2 VAL 94 2.564% * 0.8884% (0.08 0.16 0.02) = 0.888% HG LEU 90 - QG1 VAL 65 2.564% * 0.8462% (0.63 0.02 0.02) = 0.846% HG LEU 90 - QG2 THR 96 2.564% * 0.6956% (0.52 0.02 0.02) = 0.696% HG3 PRO 52 - QG1 VAL 65 2.564% * 0.6269% (0.47 0.02 0.02) = 0.627% HG3 LYS+ 113 - QG1 VAL 65 2.564% * 0.5826% (0.43 0.02 0.02) = 0.583% HG3 PRO 52 - QG2 THR 96 2.564% * 0.5153% (0.38 0.02 0.02) = 0.515% HG3 LYS+ 55 - QG1 VAL 65 2.564% * 0.4964% (0.37 0.02 0.02) = 0.496% HG3 LYS+ 113 - QG2 THR 96 2.564% * 0.4789% (0.36 0.02 0.02) = 0.479% HD3 LYS+ 113 - QG1 VAL 65 2.564% * 0.4552% (0.34 0.02 0.02) = 0.455% HB3 LEU 67 - QG2 THR 96 2.564% * 0.4430% (0.33 0.02 0.02) = 0.443% HG3 LYS+ 55 - QG2 THR 96 2.564% * 0.4081% (0.30 0.02 0.02) = 0.408% HD3 LYS+ 113 - QG2 THR 96 2.564% * 0.3742% (0.28 0.02 0.02) = 0.374% QG2 THR 38 - QG1 VAL 65 2.564% * 0.3418% (0.25 0.02 0.02) = 0.342% QG2 THR 38 - QG2 THR 96 2.564% * 0.2809% (0.21 0.02 0.02) = 0.281% QB ALA 91 - QG1 VAL 65 2.564% * 0.2761% (0.21 0.02 0.02) = 0.276% HG2 PRO 59 - QG2 VAL 94 2.564% * 0.2344% (0.17 0.02 0.02) = 0.234% HG3 LYS+ 60 - QG2 VAL 94 2.564% * 0.2344% (0.17 0.02 0.02) = 0.234% QB ALA 91 - QG2 THR 96 2.564% * 0.2270% (0.17 0.02 0.02) = 0.227% HG13 ILE 48 - QG2 VAL 94 2.564% * 0.1984% (0.15 0.02 0.02) = 0.198% HD3 LYS+ 44 - QG1 VAL 65 2.564% * 0.1939% (0.14 0.02 0.02) = 0.194% HG LEU 90 - QG2 VAL 94 2.564% * 0.1894% (0.14 0.02 0.02) = 0.189% HD3 LYS+ 44 - QG2 THR 96 2.564% * 0.1594% (0.12 0.02 0.02) = 0.159% HG3 PRO 52 - QG2 VAL 94 2.564% * 0.1403% (0.10 0.02 0.02) = 0.140% HG3 LYS+ 113 - QG2 VAL 94 2.564% * 0.1304% (0.10 0.02 0.02) = 0.130% HB3 LEU 67 - QG2 VAL 94 2.564% * 0.1206% (0.09 0.02 0.02) = 0.121% HG3 LYS+ 55 - QG2 VAL 94 2.564% * 0.1111% (0.08 0.02 0.02) = 0.111% HD3 LYS+ 113 - QG2 VAL 94 2.564% * 0.1019% (0.08 0.02 0.02) = 0.102% QG2 THR 38 - QG2 VAL 94 2.564% * 0.0765% (0.06 0.02 0.02) = 0.076% QB ALA 91 - QG2 VAL 94 2.564% * 0.0618% (0.05 0.02 0.02) = 0.062% HD3 LYS+ 44 - QG2 VAL 94 2.564% * 0.0434% (0.03 0.02 0.02) = 0.043% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 3856 (8.18, 0.73, 22.10 ppm): 5 chemical-shift based assignments, quality = 0.582, support = 2.49, residual support = 15.2: * HN SER 41 - QG1 VAL 40 20.000% * 61.6626% (0.47 3.60 24.52) = 61.663% kept HN ALA 33 - QG1 VAL 40 20.000% * 21.0592% (0.74 0.78 0.38) = 21.059% kept HN GLN 16 - QG1 VAL 40 20.000% * 17.0599% (0.80 0.58 0.22) = 17.060% kept HN GLU- 45 - QG1 VAL 40 20.000% * 0.1231% (0.17 0.02 0.02) = 0.123% HN ALA 11 - QG1 VAL 40 20.000% * 0.0951% (0.13 0.02 0.02) = 0.095% Peak 3857 (8.73, 0.73, 22.10 ppm): 4 chemical-shift based assignments, quality = 0.53, support = 3.34, residual support = 31.7: * HN VAL 40 - QG1 VAL 40 25.000% * 73.1225% (0.43 4.35 43.10) = 73.123% kept HN GLU- 56 - QG1 VAL 40 25.000% * 22.1283% (0.80 0.71 0.53) = 22.128% kept HN ILE 101 - QG1 VAL 40 25.000% * 4.6476% (0.77 0.15 0.59) = 4.648% kept HN VAL 62 - QG1 VAL 40 25.000% * 0.1015% (0.13 0.02 0.02) = 0.102% Peak 3859 (2.75, 0.58, 22.45 ppm): 2 chemical-shift based assignments, quality = 0.134, support = 1.83, residual support = 5.15: HB3 ASP- 115 - QD1 LEU 23 50.000% * 85.9850% (0.14 2.03 5.68) = 85.985% kept HB3 PHE 21 - QD1 LEU 23 50.000% * 14.0150% (0.08 0.61 1.89) = 14.015% kept Peak 3860 (2.95, 0.58, 22.45 ppm): 2 chemical-shift based assignments, quality = 0.0752, support = 0.365, residual support = 1.49: HB2 PHE 21 - QD1 LEU 23 50.000% * 78.7647% (0.09 0.39 1.89) = 78.765% kept HE3 LYS+ 60 - QD1 LEU 23 50.000% * 21.2353% (0.03 0.27 0.02) = 21.235% kept Not enough quality. Peak unassigned. Peak 3861 (9.37, 1.54, 22.45 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HN THR 24 - QG2 THR 24 Peak unassigned. Peak 3862 (8.18, 1.38, 22.40 ppm): 5 chemical-shift based assignments, quality = 0.474, support = 2.48, residual support = 2.24: * HN SER 41 - QG2 THR 39 20.000% * 81.5948% (0.41 3.01 2.74) = 81.595% kept HN GLN 16 - QG2 THR 39 20.000% * 10.4065% (0.76 0.21 0.02) = 10.406% kept HN ALA 33 - QG2 THR 39 20.000% * 7.4735% (0.83 0.14 0.02) = 7.474% kept HN GLU- 45 - QG2 THR 39 20.000% * 0.2939% (0.22 0.02 0.02) = 0.294% HN ALA 11 - QG2 THR 39 20.000% * 0.2312% (0.17 0.02 0.02) = 0.231% Peak 3863 (8.08, -0.03, 22.30 ppm): 6 chemical-shift based assignments, quality = 0.929, support = 3.83, residual support = 24.2: * HN GLU- 75 - QD1 LEU 74 16.667% * 86.7472% (0.96 4.36 27.89) = 86.747% kept HN CYS 121 - QD1 LEU 74 16.667% * 6.5128% (0.97 0.32 0.02) = 6.513% kept HN VAL 122 - QD1 LEU 74 16.667% * 6.0403% (0.59 0.49 0.02) = 6.040% kept HN LYS+ 110 - QD1 LEU 74 16.667% * 0.4050% (0.97 0.02 0.02) = 0.405% HN MET 118 - QD1 LEU 74 16.667% * 0.1820% (0.44 0.02 0.02) = 0.182% HN ASN 15 - QD1 LEU 74 16.667% * 0.1129% (0.27 0.02 0.02) = 0.113% Peak 3864 (6.74, -0.03, 22.30 ppm): 2 chemical-shift based assignments, quality = 0.931, support = 1.31, residual support = 1.98: * QE TYR 83 - QD1 LEU 74 50.000% * 68.6164% (0.96 1.55 2.78) = 68.616% kept HZ3 TRP 51 - QD1 LEU 74 50.000% * 31.3836% (0.88 0.78 0.23) = 31.384% kept Peak 3865 (4.97, -0.03, 22.30 ppm): 6 chemical-shift based assignments, quality = 0.658, support = 3.31, residual support = 25.2: * HA SER 69 - QD1 LEU 74 16.667% * 59.2886% (0.51 4.68 41.97) = 59.289% kept HA MET 97 - QD1 LEU 74 16.667% * 34.8677% (0.96 1.48 1.03) = 34.868% kept HA HIS+ 98 - QD1 LEU 74 16.667% * 3.2134% (0.55 0.24 0.02) = 3.213% kept HA PRO 31 - QD1 LEU 74 16.667% * 1.5221% (0.17 0.36 0.02) = 1.522% kept HA ALA 33 - QD1 LEU 74 16.667% * 0.9744% (0.15 0.26 0.02) = 0.974% HA ILE 101 - QD1 LEU 74 16.667% * 0.1338% (0.27 0.02 0.02) = 0.134% Peak 3866 (1.16, 0.11, 22.14 ppm): 6 chemical-shift based assignments, quality = 0.264, support = 0.881, residual support = 0.412: HB2 LEU 43 - QG2 VAL 47 16.667% * 50.4777% (0.32 0.82 0.53) = 50.478% kept QB ALA 33 - QG2 VAL 47 16.667% * 42.9049% (0.21 1.06 0.33) = 42.905% kept HG3 LYS+ 32 - QG2 VAL 47 16.667% * 3.4663% (0.05 0.34 0.02) = 3.466% kept HG3 PRO 59 - QG2 VAL 47 16.667% * 1.3344% (0.35 0.02 0.02) = 1.334% kept QG2 THR 106 - QG2 VAL 47 16.667% * 1.1146% (0.29 0.02 0.02) = 1.115% kept HB2 LEU 74 - QG2 VAL 47 16.667% * 0.7021% (0.18 0.02 0.36) = 0.702% Peak 3867 (2.65, 0.73, 22.13 ppm): 3 chemical-shift based assignments, quality = 0.765, support = 0.109, residual support = 0.02: HE2 LYS+ 120 - QG1 VAL 40 33.333% * 71.8924% (0.69 0.14 0.02) = 71.892% kept HB3 ASP- 36 - QG1 VAL 40 33.333% * 14.3817% (0.99 0.02 0.02) = 14.382% kept HB3 ASP- 82 - QG1 VAL 40 33.333% * 13.7260% (0.94 0.02 0.02) = 13.726% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 3868 (3.92, 0.73, 22.13 ppm): 4 chemical-shift based assignments, quality = 0.286, support = 2.1, residual support = 11.2: T HA LEU 74 - QG1 VAL 40 25.000% * 97.6461% (0.28 10.00 2.15 11.48) = 97.646% kept HB2 SER 77 - QG1 VAL 40 25.000% * 1.9522% (0.76 1.00 0.15 0.31) = 1.952% kept HB THR 96 - QG1 VAL 40 25.000% * 0.3322% (0.94 1.00 0.02 0.02) = 0.332% HA1 GLY 114 - QG1 VAL 40 25.000% * 0.0695% (0.20 1.00 0.02 0.02) = 0.070% Peak 3869 (1.15, 0.73, 22.13 ppm): 7 chemical-shift based assignments, quality = 0.639, support = 1.22, residual support = 4.01: HG3 PRO 59 - QG1 VAL 40 14.286% * 41.5761% (0.87 0.92 0.92) = 41.576% kept HB2 LEU 74 - QG1 VAL 40 14.286% * 30.9524% (0.25 2.38 11.48) = 30.952% kept QB ALA 33 - QG1 VAL 40 14.286% * 20.0264% (0.90 0.43 0.38) = 20.026% kept HG3 LYS+ 32 - QG1 VAL 40 14.286% * 5.9331% (0.37 0.30 0.02) = 5.933% kept * HB2 LEU 43 - QG1 VAL 40 14.286% * 0.6741% (0.65 0.02 4.76) = 0.674% QG2 THR 106 - QG1 VAL 40 14.286% * 0.5482% (0.53 0.02 0.02) = 0.548% HD3 LYS+ 111 - QG1 VAL 40 14.286% * 0.2897% (0.28 0.02 0.02) = 0.290% Reference assignment eliminated. Peak 3870 (0.72, 0.73, 22.13 ppm): 1 diagonal assignment: * QG1 VAL 40 - QG1 VAL 40 (0.90) kept Peak 3871 (2.15, 0.89, 22.12 ppm): 11 chemical-shift based assignments, quality = 0.792, support = 2.97, residual support = 52.7: * O T HB VAL 47 - QG1 VAL 47 9.091% * 66.1156% (0.85 10.0 10.00 4.11 79.67) = 66.116% kept T HB3 GLU- 75 - QG1 VAL 47 9.091% * 22.6077% (0.62 1.0 10.00 0.94 0.02) = 22.608% kept T HG2 PRO 112 - QG1 VAL 47 9.091% * 7.3883% (0.86 1.0 10.00 0.22 0.02) = 7.388% kept HB3 LYS+ 78 - QG1 VAL 47 9.091% * 1.8739% (0.91 1.0 1.00 0.53 0.02) = 1.874% kept HG2 GLU- 45 - QG1 VAL 47 9.091% * 1.6830% (0.45 1.0 1.00 0.97 0.19) = 1.683% kept T HB2 GLU- 56 - QG1 VAL 47 9.091% * 0.1105% (0.14 1.0 10.00 0.02 0.02) = 0.111% T HB VAL 87 - QG1 VAL 47 9.091% * 0.0969% (0.12 1.0 10.00 0.02 0.02) = 0.097% HB2 ASP- 28 - QG1 VAL 47 9.091% * 0.0574% (0.74 1.0 1.00 0.02 0.02) = 0.057% HG2 PRO 104 - QG1 VAL 47 9.091% * 0.0349% (0.45 1.0 1.00 0.02 0.02) = 0.035% HB VAL 105 - QG1 VAL 47 9.091% * 0.0221% (0.28 1.0 1.00 0.02 0.02) = 0.022% HG2 GLN 102 - QG1 VAL 47 9.091% * 0.0097% (0.12 1.0 1.00 0.02 0.02) = 0.010% Peak 3872 (0.89, 0.90, 22.11 ppm): 1 diagonal assignment: * QG1 VAL 47 - QG1 VAL 47 (0.90) kept Peak 3873 (0.94, 0.95, 22.08 ppm): 2 diagonal assignments: * QG2 VAL 73 - QG2 VAL 73 (0.24) kept QG2 VAL 62 - QG2 VAL 62 (0.23) kept Peak 3874 (1.95, 0.93, 22.15 ppm): 45 chemical-shift based assignments, quality = 0.139, support = 1.3, residual support = 11.5: * O T HB VAL 73 - QG2 VAL 73 2.222% * 45.5517% (0.13 10.0 10.00 2.28 25.01) = 45.552% kept T HB VAL 73 - QG2 VAL 62 2.222% * 14.2985% (0.15 1.0 10.00 0.55 0.02) = 14.298% kept T HG2 PRO 112 - QG2 VAL 73 2.222% * 12.2439% (0.11 1.0 10.00 0.65 0.41) = 12.244% kept T HG2 PRO 112 - QG2 VAL 62 2.222% * 10.4213% (0.13 1.0 10.00 0.49 0.10) = 10.421% kept T HG2 PRO 112 - QG1 VAL 47 2.222% * 5.5690% (0.15 1.0 10.00 0.22 0.02) = 5.569% kept HB2 GLU- 75 - QG1 VAL 47 2.222% * 3.4649% (0.28 1.0 1.00 0.73 0.02) = 3.465% kept HB2 PRO 35 - QG1 VAL 47 2.222% * 2.8711% (0.37 1.0 1.00 0.46 0.02) = 2.871% kept HB VAL 73 - QG1 VAL 47 2.222% * 0.8139% (0.18 1.0 1.00 0.27 0.02) = 0.814% T HB2 GLU- 75 - QG2 VAL 62 2.222% * 0.8094% (0.24 1.0 10.00 0.02 0.02) = 0.809% T HB2 GLU- 75 - QG2 VAL 73 2.222% * 0.7152% (0.21 1.0 10.00 0.02 0.02) = 0.715% HB2 PRO 116 - QG2 VAL 62 2.222% * 0.2971% (0.14 1.0 1.00 0.13 0.02) = 0.297% T HB2 PRO 86 - QG2 VAL 62 2.222% * 0.1855% (0.05 1.0 10.00 0.02 0.02) = 0.185% T HB ILE 29 - QG2 VAL 62 2.222% * 0.1855% (0.05 1.0 10.00 0.02 0.02) = 0.185% T HB2 PRO 86 - QG2 VAL 73 2.222% * 0.1639% (0.05 1.0 10.00 0.02 0.02) = 0.164% T HB ILE 29 - QG2 VAL 73 2.222% * 0.1639% (0.05 1.0 10.00 0.02 0.02) = 0.164% HG3 PRO 116 - QG1 VAL 47 2.222% * 0.1221% (0.36 1.0 1.00 0.02 0.02) = 0.122% HB VAL 13 - QG1 VAL 47 2.222% * 0.1202% (0.36 1.0 1.00 0.02 0.02) = 0.120% HG3 PRO 31 - QG1 VAL 47 2.222% * 0.1178% (0.35 1.0 1.00 0.02 0.02) = 0.118% HB3 LYS+ 55 - QG1 VAL 47 2.222% * 0.1150% (0.34 1.0 1.00 0.02 0.02) = 0.115% HB3 GLU- 109 - QG1 VAL 47 2.222% * 0.1117% (0.33 1.0 1.00 0.02 0.02) = 0.112% HB2 PRO 35 - QG2 VAL 62 2.222% * 0.1057% (0.31 1.0 1.00 0.02 0.02) = 0.106% HG3 PRO 116 - QG2 VAL 62 2.222% * 0.1038% (0.31 1.0 1.00 0.02 0.02) = 0.104% HB VAL 13 - QG2 VAL 62 2.222% * 0.1022% (0.30 1.0 1.00 0.02 0.02) = 0.102% HG3 PRO 31 - QG2 VAL 62 2.222% * 0.1002% (0.30 1.0 1.00 0.02 0.02) = 0.100% HB3 LYS+ 55 - QG2 VAL 62 2.222% * 0.0978% (0.29 1.0 1.00 0.02 0.02) = 0.098% HB3 GLU- 109 - QG2 VAL 62 2.222% * 0.0950% (0.28 1.0 1.00 0.02 0.02) = 0.095% HB2 PRO 35 - QG2 VAL 73 2.222% * 0.0934% (0.28 1.0 1.00 0.02 0.02) = 0.093% HG3 PRO 116 - QG2 VAL 73 2.222% * 0.0917% (0.27 1.0 1.00 0.02 0.02) = 0.092% HB VAL 13 - QG2 VAL 73 2.222% * 0.0903% (0.27 1.0 1.00 0.02 0.02) = 0.090% HG3 PRO 31 - QG2 VAL 73 2.222% * 0.0885% (0.26 1.0 1.00 0.02 0.02) = 0.089% HB3 LYS+ 55 - QG2 VAL 73 2.222% * 0.0864% (0.26 1.0 1.00 0.02 0.02) = 0.086% HB3 GLU- 109 - QG2 VAL 73 2.222% * 0.0839% (0.25 1.0 1.00 0.02 0.02) = 0.084% HB2 PRO 116 - QG1 VAL 47 2.222% * 0.0558% (0.17 1.0 1.00 0.02 0.02) = 0.056% HB2 GLU- 10 - QG1 VAL 47 2.222% * 0.0558% (0.17 1.0 1.00 0.02 0.02) = 0.056% HG3 PRO 104 - QG1 VAL 47 2.222% * 0.0512% (0.15 1.0 1.00 0.02 0.02) = 0.051% HB2 GLU- 10 - QG2 VAL 62 2.222% * 0.0475% (0.14 1.0 1.00 0.02 0.02) = 0.047% HG3 PRO 104 - QG2 VAL 62 2.222% * 0.0435% (0.13 1.0 1.00 0.02 0.02) = 0.044% HB2 PRO 116 - QG2 VAL 73 2.222% * 0.0420% (0.12 1.0 1.00 0.02 0.02) = 0.042% HB2 GLU- 10 - QG2 VAL 73 2.222% * 0.0420% (0.12 1.0 1.00 0.02 0.02) = 0.042% HG3 PRO 104 - QG2 VAL 73 2.222% * 0.0385% (0.11 1.0 1.00 0.02 0.02) = 0.038% HB3 GLU- 56 - QG1 VAL 47 2.222% * 0.0384% (0.11 1.0 1.00 0.02 0.02) = 0.038% HB3 GLU- 56 - QG2 VAL 62 2.222% * 0.0327% (0.10 1.0 1.00 0.02 0.02) = 0.033% HB3 GLU- 56 - QG2 VAL 73 2.222% * 0.0289% (0.09 1.0 1.00 0.02 0.02) = 0.029% HB2 PRO 86 - QG1 VAL 47 2.222% * 0.0218% (0.06 1.0 1.00 0.02 0.02) = 0.022% HB ILE 29 - QG1 VAL 47 2.222% * 0.0218% (0.06 1.0 1.00 0.02 0.02) = 0.022% Peak 3875 (0.93, 0.93, 22.15 ppm): 3 diagonal assignments: * QG2 VAL 62 - QG2 VAL 62 (0.18) kept QG2 VAL 73 - QG2 VAL 73 (0.12) kept QG1 VAL 47 - QG1 VAL 47 (0.07) kept Peak 3876 (4.35, 0.96, 22.04 ppm): 12 chemical-shift based assignments, quality = 0.0772, support = 2.57, residual support = 16.8: * T HB THR 61 - QG2 VAL 62 8.333% * 92.9411% (0.08 10.00 2.72 18.10) = 92.941% kept HA LYS+ 60 - QG2 VAL 62 8.333% * 3.1244% (0.04 1.00 1.27 0.45) = 3.124% kept HA2 GLY 26 - QG2 VAL 62 8.333% * 1.2346% (0.10 1.00 0.22 0.02) = 1.235% kept T HB THR 61 - QG2 VAL 73 8.333% * 1.0056% (0.09 10.00 0.02 0.02) = 1.006% kept HA TRP 51 - QG2 VAL 62 8.333% * 0.6822% (0.05 1.00 0.25 0.02) = 0.682% HA TRP 51 - QG2 VAL 73 8.333% * 0.3871% (0.05 1.00 0.13 0.02) = 0.387% HA ALA 37 - QG2 VAL 62 8.333% * 0.3460% (0.03 1.00 0.20 0.02) = 0.346% HA2 GLY 26 - QG2 VAL 73 8.333% * 0.1236% (0.11 1.00 0.02 0.02) = 0.124% HA LYS+ 60 - QG2 VAL 73 8.333% * 0.0531% (0.05 1.00 0.02 0.02) = 0.053% HA ALA 37 - QG2 VAL 73 8.333% * 0.0378% (0.03 1.00 0.02 0.02) = 0.038% HA SER 27 - QG2 VAL 73 8.333% * 0.0335% (0.03 1.00 0.02 0.02) = 0.033% HA SER 27 - QG2 VAL 62 8.333% * 0.0309% (0.03 1.00 0.02 0.02) = 0.031% Peak 3877 (7.07, 0.95, 22.14 ppm): 2 chemical-shift based assignments, quality = 0.188, support = 0.326, residual support = 0.308: QD TYR 83 - QG2 VAL 73 50.000% * 94.5251% (0.19 0.34 0.32) = 94.525% kept QD TYR 83 - QG2 VAL 62 50.000% * 5.4749% (0.19 0.02 0.02) = 5.475% kept Not enough quality. Peak unassigned. Peak 3878 (6.87, 1.32, 21.79 ppm): 4 chemical-shift based assignments, quality = 0.689, support = 1.19, residual support = 2.15: * QD PHE 21 - QG2 THR 46 25.000% * 56.5418% (0.79 1.39 2.50) = 56.542% kept HZ PHE 21 - QG2 THR 46 25.000% * 29.0496% (0.44 1.28 2.50) = 29.050% kept HD21 ASN 119 - QG2 THR 46 25.000% * 10.2876% (0.94 0.21 0.02) = 10.288% kept HD22 ASN 15 - QG2 THR 46 25.000% * 4.1211% (0.37 0.22 0.02) = 4.121% kept Peak 3879 (3.18, 1.42, 21.49 ppm): 6 chemical-shift based assignments, quality = 0.862, support = 2.16, residual support = 7.09: T HB3 PHE 34 - HD3 LYS+ 44 16.667% * 78.7441% (0.88 10.00 2.59 8.99) = 78.744% kept * T HB3 PHE 34 - QG2 THR 38 16.667% * 21.0646% (0.81 10.00 0.58 0.02) = 21.065% kept HD3 ARG+ 84 - HD3 LYS+ 44 16.667% * 0.0876% (0.98 1.00 0.02 0.02) = 0.088% HD3 ARG+ 84 - QG2 THR 38 16.667% * 0.0809% (0.90 1.00 0.02 0.02) = 0.081% HB3 HIS+ 98 - HD3 LYS+ 44 16.667% * 0.0119% (0.13 1.00 0.02 0.02) = 0.012% HB3 HIS+ 98 - QG2 THR 38 16.667% * 0.0110% (0.12 1.00 0.02 0.02) = 0.011% Peak 3880 (2.87, 3.82, 62.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3881 (1.58, 3.82, 62.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3882 (4.49, 4.18, 62.74 ppm): 40 chemical-shift based assignments, quality = 0.389, support = 0.605, residual support = 0.428: HA ILE 100 - HB3 SER 49 2.500% * 12.5097% (0.36 0.98 1.46) = 12.510% kept HA GLN 102 - HB3 SER 49 2.500% * 11.7705% (0.36 0.93 0.68) = 11.771% kept HA MET 126 - HA VAL 73 2.500% * 11.5741% (0.56 0.58 0.02) = 11.574% kept HA GLN 102 - HA VAL 65 2.500% * 11.5244% (0.50 0.64 0.64) = 11.524% kept HA SER 77 - HB3 SER 49 2.500% * 9.0320% (0.62 0.40 0.31) = 9.032% kept HA MET 126 - HA VAL 65 2.500% * 6.8460% (0.70 0.28 0.02) = 6.846% kept HA LYS+ 32 - HA VAL 87 2.500% * 6.2946% (0.25 0.71 0.21) = 6.295% kept HA MET 126 - HA VAL 87 2.500% * 5.5274% (0.20 0.78 0.28) = 5.527% kept HA MET 126 - HB3 SER 49 2.500% * 4.6260% (0.49 0.26 0.02) = 4.626% kept HA GLN 102 - HA VAL 87 2.500% * 4.3361% (0.14 0.84 0.35) = 4.336% kept HA ILE 100 - HA VAL 87 2.500% * 4.3361% (0.14 0.84 0.35) = 4.336% kept HA ILE 100 - HA VAL 65 2.500% * 2.7091% (0.50 0.15 0.02) = 2.709% kept HA CYS 123 - HA VAL 65 2.500% * 0.6326% (0.89 0.02 0.02) = 0.633% HA SER 77 - HA VAL 65 2.500% * 0.6326% (0.89 0.02 0.02) = 0.633% HA LYS+ 32 - HA VAL 65 2.500% * 0.6146% (0.86 0.02 0.02) = 0.615% HA CYS 123 - HA VAL 73 2.500% * 0.5084% (0.71 0.02 0.02) = 0.508% HA SER 77 - HA VAL 73 2.500% * 0.5084% (0.71 0.02 0.02) = 0.508% HA LYS+ 32 - HA VAL 73 2.500% * 0.4939% (0.69 0.02 0.02) = 0.494% HA CYS 123 - HB3 SER 49 2.500% * 0.4465% (0.62 0.02 0.02) = 0.446% HA LYS+ 32 - HB3 SER 49 2.500% * 0.4337% (0.61 0.02 0.02) = 0.434% HB THR 79 - HA VAL 65 2.500% * 0.4157% (0.58 0.02 0.02) = 0.416% HB THR 79 - HA VAL 73 2.500% * 0.3340% (0.47 0.02 0.02) = 0.334% HA SER 77 - HA VAL 105 2.500% * 0.3183% (0.45 0.02 0.02) = 0.318% HA CYS 123 - HA VAL 105 2.500% * 0.3183% (0.45 0.02 0.02) = 0.318% HA LYS+ 32 - HA VAL 105 2.500% * 0.3092% (0.43 0.02 0.02) = 0.309% HB THR 79 - HB3 SER 49 2.500% * 0.2933% (0.41 0.02 0.02) = 0.293% HA GLN 102 - HA VAL 73 2.500% * 0.2898% (0.41 0.02 0.02) = 0.290% HA ILE 100 - HA VAL 73 2.500% * 0.2898% (0.41 0.02 0.02) = 0.290% HA MET 126 - HA VAL 105 2.500% * 0.2504% (0.35 0.02 0.02) = 0.250% HA LYS+ 55 - HA VAL 65 2.500% * 0.2338% (0.33 0.02 0.02) = 0.234% HB THR 79 - HA VAL 105 2.500% * 0.2091% (0.29 0.02 0.02) = 0.209% HA LYS+ 55 - HA VAL 73 2.500% * 0.1879% (0.26 0.02 0.02) = 0.188% HA GLN 102 - HA VAL 105 2.500% * 0.1814% (0.25 0.02 0.02) = 0.181% HA ILE 100 - HA VAL 105 2.500% * 0.1814% (0.25 0.02 0.02) = 0.181% HA SER 77 - HA VAL 87 2.500% * 0.1812% (0.25 0.02 0.02) = 0.181% HA CYS 123 - HA VAL 87 2.500% * 0.1812% (0.25 0.02 0.02) = 0.181% HA LYS+ 55 - HB3 SER 49 2.500% * 0.1650% (0.23 0.02 0.02) = 0.165% HB THR 79 - HA VAL 87 2.500% * 0.1191% (0.17 0.02 0.02) = 0.119% HA LYS+ 55 - HA VAL 105 2.500% * 0.1176% (0.16 0.02 0.02) = 0.118% HA LYS+ 55 - HA VAL 87 2.500% * 0.0670% (0.09 0.02 0.02) = 0.067% Peak 3883 (4.18, 4.18, 62.74 ppm): 5 diagonal assignments: HA VAL 65 - HA VAL 65 (0.95) kept * HA VAL 73 - HA VAL 73 (0.77) kept HB3 SER 49 - HB3 SER 49 (0.61) kept HA VAL 105 - HA VAL 105 (0.27) kept HA VAL 87 - HA VAL 87 (0.06) kept Peak 3884 (1.98, 4.38, 63.05 ppm): 42 chemical-shift based assignments, quality = 0.248, support = 4.2, residual support = 36.2: * O HG3 PRO 104 - HA PRO 104 2.381% * 49.5167% (0.33 10.0 1.00 5.27 38.96) = 49.517% kept O HG2 PRO 112 - HA PRO 112 2.381% * 27.2443% (0.18 10.0 1.00 3.80 39.48) = 27.244% kept O HG3 PRO 112 - HA PRO 112 2.381% * 15.3032% (0.10 10.0 1.00 3.30 39.48) = 15.303% kept T HB3 GLU- 75 - HA THR 95 2.381% * 3.4867% (0.09 1.0 10.00 0.53 0.02) = 3.487% kept HB3 GLU- 56 - HA THR 95 2.381% * 3.0829% (0.47 1.0 1.00 0.89 2.82) = 3.083% kept T HB3 GLU- 75 - HA PRO 104 2.381% * 0.1094% (0.07 1.0 10.00 0.02 0.02) = 0.109% T HB3 GLU- 75 - HA PRO 112 2.381% * 0.0883% (0.06 1.0 10.00 0.02 0.30) = 0.088% HB2 LYS+ 108 - HA THR 95 2.381% * 0.0826% (0.56 1.0 1.00 0.02 0.02) = 0.083% HB2 PRO 86 - HA THR 95 2.381% * 0.0799% (0.54 1.0 1.00 0.02 0.02) = 0.080% HB2 LYS+ 108 - HA PRO 104 2.381% * 0.0680% (0.46 1.0 1.00 0.02 0.02) = 0.068% HB2 PRO 86 - HA PRO 104 2.381% * 0.0658% (0.44 1.0 1.00 0.02 0.02) = 0.066% HG3 PRO 104 - HA THR 95 2.381% * 0.0601% (0.40 1.0 1.00 0.02 0.02) = 0.060% HB3 GLU- 56 - HA PRO 104 2.381% * 0.0570% (0.38 1.0 1.00 0.02 0.02) = 0.057% HB2 LYS+ 108 - HA PRO 112 2.381% * 0.0549% (0.37 1.0 1.00 0.02 0.02) = 0.055% HB VAL 73 - HA THR 95 2.381% * 0.0535% (0.36 1.0 1.00 0.02 0.02) = 0.054% HB2 PRO 86 - HA PRO 112 2.381% * 0.0531% (0.36 1.0 1.00 0.02 0.02) = 0.053% HB3 GLU- 56 - HA PRO 112 2.381% * 0.0460% (0.31 1.0 1.00 0.02 0.14) = 0.046% HB VAL 73 - HA PRO 104 2.381% * 0.0441% (0.30 1.0 1.00 0.02 0.02) = 0.044% HG2 PRO 112 - HA THR 95 2.381% * 0.0410% (0.28 1.0 1.00 0.02 0.02) = 0.041% HG3 PRO 104 - HA PRO 112 2.381% * 0.0400% (0.27 1.0 1.00 0.02 3.72) = 0.040% HB VAL 73 - HA PRO 112 2.381% * 0.0356% (0.24 1.0 1.00 0.02 0.41) = 0.036% HG2 PRO 112 - HA PRO 104 2.381% * 0.0338% (0.23 1.0 1.00 0.02 3.72) = 0.034% HB2 HIS+ 14 - HA THR 95 2.381% * 0.0282% (0.19 1.0 1.00 0.02 0.02) = 0.028% HB3 MET 118 - HA THR 95 2.381% * 0.0282% (0.19 1.0 1.00 0.02 0.02) = 0.028% HB3 MET 118 - HA PRO 104 2.381% * 0.0233% (0.16 1.0 1.00 0.02 0.02) = 0.023% HB2 HIS+ 14 - HA PRO 104 2.381% * 0.0233% (0.16 1.0 1.00 0.02 0.02) = 0.023% HG3 PRO 112 - HA THR 95 2.381% * 0.0230% (0.15 1.0 1.00 0.02 0.02) = 0.023% HB2 GLU- 18 - HA THR 95 2.381% * 0.0206% (0.14 1.0 1.00 0.02 0.02) = 0.021% HB3 GLU- 109 - HA THR 95 2.381% * 0.0206% (0.14 1.0 1.00 0.02 0.02) = 0.021% HG3 PRO 112 - HA PRO 104 2.381% * 0.0190% (0.13 1.0 1.00 0.02 3.72) = 0.019% HB3 MET 118 - HA PRO 112 2.381% * 0.0188% (0.13 1.0 1.00 0.02 0.02) = 0.019% HB2 HIS+ 14 - HA PRO 112 2.381% * 0.0188% (0.13 1.0 1.00 0.02 0.02) = 0.019% HB3 GLU- 109 - HA PRO 104 2.381% * 0.0170% (0.11 1.0 1.00 0.02 0.02) = 0.017% HB2 GLU- 18 - HA PRO 104 2.381% * 0.0170% (0.11 1.0 1.00 0.02 0.02) = 0.017% HB VAL 13 - HA THR 95 2.381% * 0.0145% (0.10 1.0 1.00 0.02 0.02) = 0.014% HB2 GLU- 18 - HA PRO 112 2.381% * 0.0137% (0.09 1.0 1.00 0.02 0.12) = 0.014% HB3 GLU- 109 - HA PRO 112 2.381% * 0.0137% (0.09 1.0 1.00 0.02 0.02) = 0.014% HG3 PRO 116 - HA THR 95 2.381% * 0.0128% (0.09 1.0 1.00 0.02 0.02) = 0.013% HB VAL 13 - HA PRO 104 2.381% * 0.0119% (0.08 1.0 1.00 0.02 0.02) = 0.012% HG3 PRO 116 - HA PRO 104 2.381% * 0.0105% (0.07 1.0 1.00 0.02 0.02) = 0.011% HB VAL 13 - HA PRO 112 2.381% * 0.0096% (0.06 1.0 1.00 0.02 0.02) = 0.010% HG3 PRO 116 - HA PRO 112 2.381% * 0.0085% (0.06 1.0 1.00 0.02 0.02) = 0.008% Peak 3885 (1.84, 4.38, 63.05 ppm): 36 chemical-shift based assignments, quality = 0.247, support = 2.96, residual support = 27.9: * O T HB2 PRO 104 - HA PRO 104 2.778% * 55.1395% (0.28 10.0 10.00 3.97 38.96) = 55.139% kept T HB2 PRO 104 - HA PRO 112 2.778% * 16.6226% (0.22 1.0 10.00 0.75 3.72) = 16.623% kept O HG2 PRO 112 - HA PRO 112 2.778% * 11.4026% (0.06 10.0 1.00 3.80 39.48) = 11.403% kept HB VAL 94 - HA THR 95 2.778% * 5.8384% (0.21 1.0 1.00 2.82 22.36) = 5.838% kept HB2 LYS+ 66 - HA THR 95 2.778% * 4.1396% (0.54 1.0 1.00 0.78 0.90) = 4.140% kept HB3 LYS+ 60 - HA THR 95 2.778% * 2.5142% (0.38 1.0 1.00 0.66 0.02) = 2.514% kept T HB2 PRO 59 - HA THR 95 2.778% * 1.0437% (0.53 1.0 10.00 0.02 0.02) = 1.044% kept T HB2 PRO 59 - HA PRO 104 2.778% * 0.8600% (0.43 1.0 10.00 0.02 0.02) = 0.860% T HB2 PRO 59 - HA PRO 112 2.778% * 0.6941% (0.35 1.0 10.00 0.02 0.02) = 0.694% T HB2 PRO 104 - HA THR 95 2.778% * 0.6692% (0.34 1.0 10.00 0.02 0.02) = 0.669% HB2 LYS+ 66 - HA PRO 104 2.778% * 0.0877% (0.44 1.0 1.00 0.02 0.02) = 0.088% HB3 LYS+ 72 - HA THR 95 2.778% * 0.0714% (0.36 1.0 1.00 0.02 0.02) = 0.071% HB2 LYS+ 66 - HA PRO 112 2.778% * 0.0708% (0.36 1.0 1.00 0.02 0.02) = 0.071% HB3 LYS+ 60 - HA PRO 104 2.778% * 0.0624% (0.32 1.0 1.00 0.02 0.02) = 0.062% HB3 LYS+ 72 - HA PRO 104 2.778% * 0.0588% (0.30 1.0 1.00 0.02 0.02) = 0.059% HD3 LYS+ 117 - HA THR 95 2.778% * 0.0581% (0.29 1.0 1.00 0.02 0.02) = 0.058% HG3 LYS+ 108 - HA THR 95 2.778% * 0.0537% (0.27 1.0 1.00 0.02 0.02) = 0.054% HB3 LYS+ 60 - HA PRO 112 2.778% * 0.0504% (0.25 1.0 1.00 0.02 0.02) = 0.050% HD3 LYS+ 117 - HA PRO 104 2.778% * 0.0478% (0.24 1.0 1.00 0.02 0.02) = 0.048% HB3 LYS+ 72 - HA PRO 112 2.778% * 0.0475% (0.24 1.0 1.00 0.02 0.46) = 0.047% HG3 LYS+ 108 - HA PRO 104 2.778% * 0.0443% (0.22 1.0 1.00 0.02 0.02) = 0.044% HD3 LYS+ 117 - HA PRO 112 2.778% * 0.0386% (0.19 1.0 1.00 0.02 0.02) = 0.039% HD2 PRO 59 - HA THR 95 2.778% * 0.0376% (0.19 1.0 1.00 0.02 0.02) = 0.038% HD3 LYS+ 72 - HA THR 95 2.778% * 0.0376% (0.19 1.0 1.00 0.02 0.02) = 0.038% HG3 LYS+ 108 - HA PRO 112 2.778% * 0.0357% (0.18 1.0 1.00 0.02 0.02) = 0.036% HB VAL 94 - HA PRO 104 2.778% * 0.0341% (0.17 1.0 1.00 0.02 0.02) = 0.034% HD2 PRO 59 - HA PRO 104 2.778% * 0.0310% (0.16 1.0 1.00 0.02 0.02) = 0.031% HD3 LYS+ 72 - HA PRO 104 2.778% * 0.0310% (0.16 1.0 1.00 0.02 0.02) = 0.031% HB VAL 94 - HA PRO 112 2.778% * 0.0275% (0.14 1.0 1.00 0.02 0.02) = 0.028% HB2 GLU- 109 - HA THR 95 2.778% * 0.0275% (0.14 1.0 1.00 0.02 0.02) = 0.028% HD3 LYS+ 72 - HA PRO 112 2.778% * 0.0250% (0.13 1.0 1.00 0.02 0.46) = 0.025% HD2 PRO 59 - HA PRO 112 2.778% * 0.0250% (0.13 1.0 1.00 0.02 0.02) = 0.025% HB2 GLU- 109 - HA PRO 104 2.778% * 0.0227% (0.11 1.0 1.00 0.02 0.02) = 0.023% HB2 GLU- 109 - HA PRO 112 2.778% * 0.0183% (0.09 1.0 1.00 0.02 0.02) = 0.018% HG2 PRO 112 - HA THR 95 2.778% * 0.0171% (0.09 1.0 1.00 0.02 0.02) = 0.017% HG2 PRO 112 - HA PRO 104 2.778% * 0.0141% (0.07 1.0 1.00 0.02 3.72) = 0.014% Peak 3886 (0.10, 1.31, 22.14 ppm): 1 chemical-shift based assignment, quality = 0.128, support = 3.42, residual support = 16.2: * QG2 VAL 47 - QG2 THR 46 100.000% *100.0000% (0.13 3.42 16.21) = 100.000% kept Peak 3887 (2.80, 2.79, 42.91 ppm): 1 diagonal assignment: * HA2 GLY 58 - HA2 GLY 58 (0.71) kept Peak 3888 (2.30, 2.28, 37.66 ppm): 1 diagonal assignment: * HG2 GLU- 64 - HG2 GLU- 64 (0.52) kept Peak 3889 (3.54, 2.15, 31.04 ppm): 9 chemical-shift based assignments, quality = 0.69, support = 2.95, residual support = 14.2: * T HA LYS+ 44 - HB VAL 47 11.111% * 61.4423% (0.82 10.00 3.44 21.28) = 61.442% kept T HA LYS+ 44 - HB3 GLU- 75 11.111% * 35.5730% (0.48 10.00 2.30 3.27) = 35.573% kept HB2 SER 69 - HB3 GLU- 75 11.111% * 1.3815% (0.35 1.00 1.07 0.43) = 1.381% kept HA1 GLY 26 - HB VAL 47 11.111% * 1.1203% (0.93 1.00 0.32 0.02) = 1.120% kept HA1 GLY 26 - HB3 GLU- 75 11.111% * 0.1575% (0.54 1.00 0.08 0.02) = 0.158% HB2 SER 69 - HB2 GLU- 56 11.111% * 0.1498% (0.11 1.00 0.35 0.92) = 0.150% T HA LYS+ 44 - HB2 GLU- 56 11.111% * 0.1177% (0.16 10.00 0.02 0.02) = 0.118% HB2 SER 69 - HB VAL 47 11.111% * 0.0446% (0.60 1.00 0.02 0.02) = 0.045% HA1 GLY 26 - HB2 GLU- 56 11.111% * 0.0133% (0.18 1.00 0.02 0.02) = 0.013% Peak 3890 (2.15, 2.15, 31.04 ppm): 2 diagonal assignments: * HB VAL 47 - HB VAL 47 (0.99) kept HB3 GLU- 75 - HB3 GLU- 75 (0.35) kept Peak 3891 (4.21, 2.01, 30.52 ppm): 45 chemical-shift based assignments, quality = 0.39, support = 1.78, residual support = 4.84: T HA LYS+ 108 - HB3 GLU- 107 2.222% * 31.6543% (0.27 1.0 10.00 1.96 5.96) = 31.654% kept O HA GLU- 10 - HB3 GLU- 10 2.222% * 29.8325% (0.25 10.0 1.00 3.54 9.88) = 29.832% kept T HA GLU- 12 - HB2 HIS+ 14 2.222% * 15.5734% (0.88 1.0 10.00 0.29 0.02) = 15.573% kept T HB3 SER 49 - HB3 GLU- 107 2.222% * 13.5226% (0.60 1.0 10.00 0.38 0.02) = 13.523% kept T HB3 SER 49 - HB3 GLU- 75 2.222% * 1.8270% (0.12 1.0 10.00 0.26 0.02) = 1.827% kept T HA GLU- 12 - HB3 GLU- 107 2.222% * 1.1220% (0.93 1.0 10.00 0.02 0.02) = 1.122% kept T HA GLU- 10 - HB3 GLU- 75 2.222% * 0.7692% (0.05 1.0 10.00 0.25 0.02) = 0.769% T HB3 SER 49 - HB2 HIS+ 14 2.222% * 0.6834% (0.57 1.0 10.00 0.02 0.02) = 0.683% T HB3 SER 49 - HB3 GLU- 10 2.222% * 0.6652% (0.55 1.0 10.00 0.02 0.02) = 0.665% T HA SER 49 - HB3 GLU- 107 2.222% * 0.6117% (0.51 1.0 10.00 0.02 0.02) = 0.612% T HA SER 49 - HB2 HIS+ 14 2.222% * 0.5799% (0.48 1.0 10.00 0.02 0.02) = 0.580% T HA SER 49 - HB3 GLU- 10 2.222% * 0.5645% (0.47 1.0 10.00 0.02 0.02) = 0.565% T HA GLU- 10 - HB3 GLU- 107 2.222% * 0.3233% (0.27 1.0 10.00 0.02 0.02) = 0.323% T HA LYS+ 108 - HB2 HIS+ 14 2.222% * 0.3064% (0.25 1.0 10.00 0.02 0.02) = 0.306% T HA GLU- 10 - HB2 HIS+ 14 2.222% * 0.3064% (0.25 1.0 10.00 0.02 0.02) = 0.306% T HA GLU- 12 - HB3 GLU- 75 2.222% * 0.2171% (0.18 1.0 10.00 0.02 0.02) = 0.217% T HA ASP- 82 - HB3 GLU- 75 2.222% * 0.1952% (0.16 1.0 10.00 0.02 0.02) = 0.195% T HA SER 49 - HB3 GLU- 75 2.222% * 0.1184% (0.10 1.0 10.00 0.02 0.02) = 0.118% HA GLU- 12 - HB3 GLU- 10 2.222% * 0.1035% (0.86 1.0 1.00 0.02 0.02) = 0.104% HA ASP- 82 - HB3 GLU- 107 2.222% * 0.1008% (0.84 1.0 1.00 0.02 0.02) = 0.101% HA ASP- 82 - HB2 HIS+ 14 2.222% * 0.0956% (0.79 1.0 1.00 0.02 0.02) = 0.096% HA ASP- 82 - HB3 GLU- 10 2.222% * 0.0931% (0.77 1.0 1.00 0.02 0.02) = 0.093% HA GLU- 109 - HB3 GLU- 107 2.222% * 0.0844% (0.70 1.0 1.00 0.02 0.02) = 0.084% HA GLU- 109 - HB2 HIS+ 14 2.222% * 0.0800% (0.67 1.0 1.00 0.02 0.02) = 0.080% HA GLU- 109 - HB3 GLU- 10 2.222% * 0.0779% (0.65 1.0 1.00 0.02 0.02) = 0.078% T HA LYS+ 108 - HB3 GLU- 75 2.222% * 0.0626% (0.05 1.0 10.00 0.02 0.02) = 0.063% HA ALA 42 - HB3 GLU- 107 2.222% * 0.0521% (0.43 1.0 1.00 0.02 0.02) = 0.052% HA ALA 42 - HB2 HIS+ 14 2.222% * 0.0494% (0.41 1.0 1.00 0.02 0.02) = 0.049% HA ALA 42 - HB3 GLU- 10 2.222% * 0.0481% (0.40 1.0 1.00 0.02 0.02) = 0.048% T HA GLU- 12 - HB3 GLU- 56 2.222% * 0.0375% (0.03 1.0 10.00 0.02 0.02) = 0.037% T HA ASP- 82 - HB3 GLU- 56 2.222% * 0.0337% (0.03 1.0 10.00 0.02 0.02) = 0.034% HA GLU- 54 - HB3 GLU- 107 2.222% * 0.0323% (0.27 1.0 1.00 0.02 0.02) = 0.032% HA GLU- 54 - HB2 HIS+ 14 2.222% * 0.0306% (0.25 1.0 1.00 0.02 0.02) = 0.031% HA GLU- 54 - HB3 GLU- 10 2.222% * 0.0298% (0.25 1.0 1.00 0.02 0.02) = 0.030% HA LYS+ 108 - HB3 GLU- 10 2.222% * 0.0298% (0.25 1.0 1.00 0.02 0.02) = 0.030% T HB3 SER 49 - HB3 GLU- 56 2.222% * 0.0241% (0.02 1.0 10.00 0.02 0.02) = 0.024% HA GLU- 109 - HB3 GLU- 75 2.222% * 0.0163% (0.14 1.0 1.00 0.02 0.02) = 0.016% T HA LYS+ 108 - HB3 GLU- 56 2.222% * 0.0108% (0.01 1.0 10.00 0.02 0.02) = 0.011% T HA GLU- 10 - HB3 GLU- 56 2.222% * 0.0108% (0.01 1.0 10.00 0.02 0.02) = 0.011% HA ALA 42 - HB3 GLU- 75 2.222% * 0.0101% (0.08 1.0 1.00 0.02 0.02) = 0.010% HA GLU- 54 - HB3 GLU- 75 2.222% * 0.0063% (0.05 1.0 1.00 0.02 0.02) = 0.006% HA GLU- 109 - HB3 GLU- 56 2.222% * 0.0028% (0.02 1.0 1.00 0.02 0.02) = 0.003% HA SER 49 - HB3 GLU- 56 2.222% * 0.0020% (0.02 1.0 1.00 0.02 0.02) = 0.002% HA ALA 42 - HB3 GLU- 56 2.222% * 0.0017% (0.01 1.0 1.00 0.02 0.02) = 0.002% HA GLU- 54 - HB3 GLU- 56 2.222% * 0.0011% (0.01 1.0 1.00 0.02 0.10) = 0.001% Reference assignment not found: HA GLU- 75 - HB3 GLU- 75 Peak 3892 (2.74, 2.74, 39.84 ppm): 1 diagonal assignment: * HB3 PHE 21 - HB3 PHE 21 (0.25) kept Peak 3893 (9.31, 1.93, 41.57 ppm): 4 chemical-shift based assignments, quality = 0.31, support = 5.55, residual support = 79.5: * O HN LEU 23 - HB2 LEU 23 25.000% * 44.2228% (0.27 10.0 6.84 120.22) = 44.223% kept O HN ILE 29 - HB ILE 29 25.000% * 38.9385% (0.24 10.0 5.25 61.33) = 38.938% kept HN ILE 29 - HB2 LEU 23 25.000% * 15.3518% (0.63 1.0 2.95 14.54) = 15.352% kept HN LEU 23 - HB ILE 29 25.000% * 1.4869% (0.10 1.0 1.80 14.54) = 1.487% kept Peak 3894 (1.93, 2.74, 39.91 ppm): 14 chemical-shift based assignments, quality = 0.24, support = 1.99, residual support = 18.5: * T HB ILE 29 - HB3 PHE 21 7.143% * 63.9496% (0.25 10.00 2.43 27.92) = 63.950% kept T HB2 LEU 23 - HB3 PHE 21 7.143% * 35.6803% (0.23 10.00 1.23 1.89) = 35.680% kept HB2 PRO 116 - HB3 PHE 21 7.143% * 0.0579% (0.23 1.00 0.02 0.02) = 0.058% HB2 GLU- 10 - HB3 PHE 21 7.143% * 0.0579% (0.23 1.00 0.02 0.02) = 0.058% HD3 LYS+ 63 - HB3 PHE 21 7.143% * 0.0417% (0.16 1.00 0.02 0.02) = 0.042% HB2 GLU- 75 - HB3 PHE 21 7.143% * 0.0391% (0.15 1.00 0.02 0.02) = 0.039% HB2 PRO 112 - HB3 PHE 21 7.143% * 0.0350% (0.14 1.00 0.02 0.02) = 0.035% HB3 GLN 102 - HB3 PHE 21 7.143% * 0.0289% (0.11 1.00 0.02 0.02) = 0.029% HB3 LYS+ 55 - HB3 PHE 21 7.143% * 0.0265% (0.10 1.00 0.02 0.02) = 0.027% HG3 PRO 31 - HB3 PHE 21 7.143% * 0.0242% (0.09 1.00 0.02 0.02) = 0.024% HG2 PRO 112 - HB3 PHE 21 7.143% * 0.0217% (0.08 1.00 0.02 0.02) = 0.022% HB3 ARG+ 53 - HB3 PHE 21 7.143% * 0.0144% (0.06 1.00 0.02 0.02) = 0.014% HB2 PRO 35 - HB3 PHE 21 7.143% * 0.0128% (0.05 1.00 0.02 0.02) = 0.013% HG3 PRO 116 - HB3 PHE 21 7.143% * 0.0100% (0.04 1.00 0.02 0.02) = 0.010% Peak 3895 (1.93, 2.97, 39.90 ppm): 14 chemical-shift based assignments, quality = 0.315, support = 3.47, residual support = 20.5: * T HB ILE 29 - HB2 PHE 21 7.143% * 71.4453% (0.33 10.00 4.54 27.92) = 71.445% kept T HB2 LEU 23 - HB2 PHE 21 7.143% * 27.4086% (0.30 10.00 0.85 1.89) = 27.409% kept HB2 PRO 116 - HB2 PHE 21 7.143% * 0.5961% (0.30 1.00 0.18 0.02) = 0.596% HD3 LYS+ 63 - HB2 PHE 21 7.143% * 0.1776% (0.21 1.00 0.08 0.02) = 0.178% HB2 PRO 35 - HB2 PHE 21 7.143% * 0.0846% (0.07 1.00 0.12 0.02) = 0.085% HB2 GLU- 10 - HB2 PHE 21 7.143% * 0.0646% (0.30 1.00 0.02 0.02) = 0.065% HB2 GLU- 75 - HB2 PHE 21 7.143% * 0.0437% (0.20 1.00 0.02 0.02) = 0.044% HB2 PRO 112 - HB2 PHE 21 7.143% * 0.0391% (0.18 1.00 0.02 0.02) = 0.039% HB3 GLN 102 - HB2 PHE 21 7.143% * 0.0323% (0.15 1.00 0.02 0.02) = 0.032% HB3 LYS+ 55 - HB2 PHE 21 7.143% * 0.0296% (0.14 1.00 0.02 0.02) = 0.030% HG3 PRO 31 - HB2 PHE 21 7.143% * 0.0271% (0.12 1.00 0.02 0.02) = 0.027% HG2 PRO 112 - HB2 PHE 21 7.143% * 0.0242% (0.11 1.00 0.02 0.02) = 0.024% HB3 ARG+ 53 - HB2 PHE 21 7.143% * 0.0160% (0.07 1.00 0.02 0.02) = 0.016% HG3 PRO 116 - HB2 PHE 21 7.143% * 0.0111% (0.05 1.00 0.02 0.02) = 0.011% Peak 3896 (2.73, 1.92, 41.31 ppm): 6 chemical-shift based assignments, quality = 0.788, support = 2.06, residual support = 19.1: * HB3 PHE 21 - HB ILE 29 16.667% * 63.0632% (0.98 2.43 27.92) = 63.063% kept HB3 ASP- 115 - HB2 LEU 23 16.667% * 20.2258% (0.47 1.63 5.68) = 20.226% kept HB3 PHE 21 - HB2 LEU 23 16.667% * 16.0399% (0.49 1.23 1.89) = 16.040% kept HB3 ASP- 115 - HB ILE 29 16.667% * 0.4959% (0.93 0.02 0.02) = 0.496% HE3 LYS+ 120 - HB ILE 29 16.667% * 0.1167% (0.22 0.02 0.02) = 0.117% HE3 LYS+ 120 - HB2 LEU 23 16.667% * 0.0584% (0.11 0.02 0.02) = 0.058% Peak 3897 (7.81, 4.11, 67.75 ppm): 5 chemical-shift based assignments, quality = 0.294, support = 3.59, residual support = 22.5: * O HN THR 46 - HA THR 46 20.000% * 89.0133% (0.23 10.0 3.99 25.30) = 89.013% kept HN LYS+ 55 - HA THR 46 20.000% * 7.7326% (0.94 1.0 0.43 0.02) = 7.733% kept HN VAL 87 - HA THR 46 20.000% * 1.9294% (0.26 1.0 0.39 0.02) = 1.929% kept HN ALA 93 - HA THR 46 20.000% * 1.1370% (0.75 1.0 0.08 0.02) = 1.137% kept HN LYS+ 63 - HA THR 46 20.000% * 0.1878% (0.49 1.0 0.02 0.02) = 0.188% Peak 3898 (8.25, 4.11, 67.75 ppm): 8 chemical-shift based assignments, quality = 0.751, support = 0.667, residual support = 1.57: HN LYS+ 81 - HA THR 46 12.500% * 41.8561% (0.72 1.03 3.57) = 41.856% kept HN GLU- 12 - HA THR 46 12.500% * 25.9476% (0.81 0.56 0.27) = 25.948% kept HN THR 106 - HA THR 46 12.500% * 18.6642% (0.91 0.36 0.02) = 18.664% kept HN LEU 67 - HA THR 46 12.500% * 6.7413% (0.72 0.17 0.02) = 6.741% kept HN SER 49 - HA THR 46 12.500% * 4.9145% (0.46 0.19 0.02) = 4.915% kept HN ASP- 115 - HA THR 46 12.500% * 0.9797% (0.87 0.02 0.02) = 0.980% HN GLY 58 - HA THR 46 12.500% * 0.6865% (0.61 0.02 0.02) = 0.687% HN ASN 89 - HA THR 46 12.500% * 0.2100% (0.19 0.02 0.02) = 0.210% Peak 3899 (2.75, 0.95, 23.18 ppm): 2 chemical-shift based assignments, quality = 0.0269, support = 0.858, residual support = 5.36: * T HB3 PHE 21 - QG2 VAL 99 50.000% * 99.5205% (0.03 10.00 0.86 5.39) = 99.520% kept HB3 ASP- 115 - QG2 VAL 99 50.000% * 0.4795% (0.06 1.00 0.02 0.02) = 0.480% Peak 3901 (7.34, 1.57, 42.17 ppm): 14 chemical-shift based assignments, quality = 0.841, support = 2.74, residual support = 19.2: HZ PHE 34 - HB ILE 19 7.143% * 33.6113% (0.94 3.02 22.00) = 33.611% kept QE PHE 34 - HB ILE 19 7.143% * 31.1098% (0.94 2.79 22.00) = 31.110% kept * QD PHE 34 - HB ILE 19 7.143% * 22.1549% (0.55 3.39 22.00) = 22.155% kept HZ2 TRP 51 - HB ILE 19 7.143% * 10.5499% (0.94 0.95 0.48) = 10.550% kept HN VAL 47 - HB ILE 19 7.143% * 2.1202% (0.47 0.38 0.02) = 2.120% kept HN ARG+ 84 - HB ILE 19 7.143% * 0.1035% (0.44 0.02 0.02) = 0.104% HZ2 TRP 51 - HB3 LEU 90 7.143% * 0.0654% (0.28 0.02 0.02) = 0.065% QE PHE 34 - HB3 LEU 90 7.143% * 0.0654% (0.28 0.02 0.02) = 0.065% HZ PHE 34 - HB3 LEU 90 7.143% * 0.0654% (0.28 0.02 0.02) = 0.065% HE22 GLN 102 - HB ILE 19 7.143% * 0.0404% (0.17 0.02 0.02) = 0.040% QD PHE 34 - HB3 LEU 90 7.143% * 0.0384% (0.16 0.02 0.02) = 0.038% HN VAL 47 - HB3 LEU 90 7.143% * 0.0330% (0.14 0.02 0.02) = 0.033% HN ARG+ 84 - HB3 LEU 90 7.143% * 0.0304% (0.13 0.02 0.02) = 0.030% HE22 GLN 102 - HB3 LEU 90 7.143% * 0.0119% (0.05 0.02 0.02) = 0.012% Peak 3902 (3.74, 0.48, 25.58 ppm): 6 chemical-shift based assignments, quality = 0.357, support = 3.75, residual support = 94.7: * HA LEU 43 - QD2 LEU 43 16.667% * 46.5926% (0.56 1.00 5.26 179.96) = 46.593% kept T HB3 SER 69 - QD2 LEU 74 16.667% * 24.7093% (0.08 10.00 3.72 41.97) = 24.709% kept T HB3 SER 69 - QD2 LEU 43 16.667% * 17.8152% (0.08 10.00 1.49 1.67) = 17.815% kept HA LEU 43 - QD2 LEU 74 16.667% * 10.5707% (0.58 1.00 1.16 1.31) = 10.571% kept HD3 PRO 104 - QD2 LEU 74 16.667% * 0.1584% (0.50 1.00 0.02 0.02) = 0.158% HD3 PRO 104 - QD2 LEU 43 16.667% * 0.1537% (0.49 1.00 0.02 0.02) = 0.154% Peak 3903 (7.34, 3.52, 61.26 ppm): 7 chemical-shift based assignments, quality = 0.762, support = 1.81, residual support = 11.2: HZ PHE 34 - HA LYS+ 44 14.286% * 38.2921% (0.92 2.10 8.99) = 38.292% kept * HN VAL 47 - HA LYS+ 44 14.286% * 25.5716% (0.47 2.78 21.28) = 25.572% kept QE PHE 34 - HA LYS+ 44 14.286% * 14.9267% (0.92 0.82 8.99) = 14.927% kept QD PHE 34 - HA LYS+ 44 14.286% * 10.9347% (0.54 1.02 8.99) = 10.935% kept HZ2 TRP 51 - HA LYS+ 44 14.286% * 10.0395% (0.92 0.55 0.10) = 10.040% kept HN ARG+ 84 - HA LYS+ 44 14.286% * 0.1693% (0.43 0.02 0.02) = 0.169% HE22 GLN 102 - HA LYS+ 44 14.286% * 0.0662% (0.17 0.02 0.02) = 0.066% Peak 3904 (7.89, 3.52, 61.26 ppm): 4 chemical-shift based assignments, quality = 0.954, support = 4.94, residual support = 56.2: * O HN LYS+ 44 - HA LYS+ 44 25.000% * 99.8195% (0.96 10.0 4.95 56.31) = 99.820% kept HN LEU 90 - HA LYS+ 44 25.000% * 0.0944% (0.90 1.0 0.02 0.02) = 0.094% HD22 ASN 89 - HA LYS+ 44 25.000% * 0.0486% (0.47 1.0 0.02 0.02) = 0.049% HN THR 38 - HA LYS+ 44 25.000% * 0.0375% (0.36 1.0 0.02 0.02) = 0.037% Peak 3905 (8.22, 3.52, 61.26 ppm): 10 chemical-shift based assignments, quality = 0.621, support = 3.96, residual support = 14.8: * O HN GLU- 45 - HA LYS+ 44 10.000% * 86.9962% (0.62 10.0 4.36 16.90) = 86.996% kept HN LEU 67 - HA LYS+ 44 10.000% * 8.1716% (0.62 1.0 1.88 0.80) = 8.172% kept HN VAL 105 - HA LYS+ 44 10.000% * 1.9118% (0.83 1.0 0.33 0.11) = 1.912% kept HN ALA 11 - HA LYS+ 44 10.000% * 1.4501% (0.69 1.0 0.30 0.02) = 1.450% kept HN LYS+ 81 - HA LYS+ 44 10.000% * 1.0348% (0.62 1.0 0.24 0.02) = 1.035% kept HN SER 49 - HA LYS+ 44 10.000% * 0.1206% (0.86 1.0 0.02 0.02) = 0.121% HN VAL 94 - HA LYS+ 44 10.000% * 0.1206% (0.86 1.0 0.02 0.02) = 0.121% HN GLY 58 - HA LYS+ 44 10.000% * 0.1028% (0.73 1.0 0.02 0.02) = 0.103% HN GLU- 12 - HA LYS+ 44 10.000% * 0.0708% (0.50 1.0 0.02 0.02) = 0.071% HN THR 106 - HA LYS+ 44 10.000% * 0.0207% (0.15 1.0 0.02 0.02) = 0.021% Peak 3906 (1.79, 3.52, 61.29 ppm): 11 chemical-shift based assignments, quality = 0.854, support = 1.15, residual support = 1.02: HG2 PRO 31 - HA LYS+ 44 9.091% * 31.9568% (0.90 1.35 0.98) = 31.957% kept HG3 LYS+ 63 - HA LYS+ 44 9.091% * 29.5721% (0.88 1.27 1.25) = 29.572% kept HB3 LYS+ 63 - HA LYS+ 44 9.091% * 26.5464% (0.86 1.17 1.25) = 26.546% kept HB3 LYS+ 108 - HA LYS+ 44 9.091% * 8.8638% (0.86 0.39 0.02) = 8.864% kept HG3 LYS+ 108 - HA LYS+ 44 9.091% * 0.9633% (0.14 0.25 0.02) = 0.963% HB2 GLU- 109 - HA LYS+ 44 9.091% * 0.6735% (0.32 0.08 0.02) = 0.673% HG3 ARG+ 53 - HA LYS+ 44 9.091% * 0.4096% (0.78 0.02 0.02) = 0.410% HB2 ARG+ 84 - HA LYS+ 44 9.091% * 0.3172% (0.60 0.02 0.02) = 0.317% HG2 ARG+ 84 - HA LYS+ 44 9.091% * 0.2974% (0.57 0.02 0.02) = 0.297% HB3 GLU- 18 - HA LYS+ 44 9.091% * 0.2776% (0.53 0.02 0.02) = 0.278% HD3 LYS+ 72 - HA LYS+ 44 9.091% * 0.1223% (0.23 0.02 0.02) = 0.122% Peak 3907 (1.46, 3.52, 61.29 ppm): 8 chemical-shift based assignments, quality = 0.568, support = 3.47, residual support = 44.7: * O T HB3 LYS+ 44 - HA LYS+ 44 12.500% * 79.2252% (0.49 10.0 10.00 4.05 56.31) = 79.225% kept HB3 LEU 67 - HA LYS+ 44 12.500% * 10.4307% (0.92 1.0 1.00 1.41 0.80) = 10.431% kept HG13 ILE 48 - HA LYS+ 44 12.500% * 8.8955% (0.88 1.0 1.00 1.25 0.51) = 8.895% kept QB ALA 70 - HA LYS+ 44 12.500% * 1.0237% (0.45 1.0 1.00 0.28 0.02) = 1.024% kept HG3 PRO 52 - HA LYS+ 44 12.500% * 0.1502% (0.93 1.0 1.00 0.02 0.02) = 0.150% HG2 PRO 59 - HA LYS+ 44 12.500% * 0.1206% (0.75 1.0 1.00 0.02 0.02) = 0.121% HG3 LYS+ 60 - HA LYS+ 44 12.500% * 0.1206% (0.75 1.0 1.00 0.02 0.02) = 0.121% HG LEU 90 - HA LYS+ 44 12.500% * 0.0335% (0.21 1.0 1.00 0.02 0.02) = 0.034% Peak 3908 (0.93, 3.52, 61.29 ppm): 14 chemical-shift based assignments, quality = 0.656, support = 1.29, residual support = 3.05: HG12 ILE 68 - HA LYS+ 44 7.143% * 19.0043% (0.93 1.17 0.17) = 19.004% kept HG3 LYS+ 110 - HA LYS+ 44 7.143% * 13.6573% (0.93 0.85 0.02) = 13.657% kept * QG1 VAL 47 - HA LYS+ 44 7.143% * 13.3949% (0.23 3.32 21.28) = 13.395% kept QG2 VAL 105 - HA LYS+ 44 7.143% * 12.9838% (0.84 0.89 0.11) = 12.984% kept QD1 LEU 67 - HA LYS+ 44 7.143% * 10.1661% (0.29 2.03 0.80) = 10.166% kept QG1 VAL 105 - HA LYS+ 44 7.143% * 9.1601% (0.78 0.68 0.11) = 9.160% kept QG2 VAL 73 - HA LYS+ 44 7.143% * 6.2008% (0.35 1.02 0.02) = 6.201% kept QG2 VAL 62 - HA LYS+ 44 7.143% * 4.9596% (0.45 0.63 1.08) = 4.960% kept QD1 LEU 17 - HA LYS+ 44 7.143% * 4.0677% (0.81 0.29 0.02) = 4.068% kept QG2 VAL 80 - HA LYS+ 44 7.143% * 3.3876% (0.88 0.22 0.12) = 3.388% kept QG2 ILE 29 - HA LYS+ 44 7.143% * 1.3561% (0.32 0.25 0.02) = 1.356% kept HG3 LYS+ 117 - HA LYS+ 44 7.143% * 0.9792% (0.35 0.16 0.02) = 0.979% QG2 VAL 40 - HA LYS+ 44 7.143% * 0.6185% (0.18 0.19 0.30) = 0.619% QG2 VAL 87 - HA LYS+ 44 7.143% * 0.0641% (0.18 0.02 0.02) = 0.064% Peak 3909 (0.09, 3.52, 61.29 ppm): 1 chemical-shift based assignment, quality = 0.208, support = 3.66, residual support = 21.3: * T QG2 VAL 47 - HA LYS+ 44 100.000% *100.0000% (0.21 10.00 3.66 21.28) = 100.000% kept Peak 3910 (3.65, 3.52, 61.26 ppm): 1 chemical-shift based assignment, quality = 0.238, support = 0.02, residual support = 0.267: HD2 PRO 112 - HA LYS+ 44 100.000% *100.0000% (0.24 0.02 0.27) = 100.000% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 3911 (4.26, 0.90, 24.48 ppm): 21 chemical-shift based assignments, quality = 0.423, support = 1.3, residual support = 1.12: HA GLU- 75 - QG2 VAL 40 4.762% * 33.3560% (0.49 1.73 0.87) = 33.356% kept HA ASN 76 - QG2 VAL 40 4.762% * 26.2601% (0.39 1.70 2.12) = 26.260% kept HA ASN 119 - QG2 VAL 40 4.762% * 17.7980% (0.41 1.10 1.33) = 17.798% kept HA ARG+ 84 - QG2 VAL 40 4.762% * 8.1663% (0.39 0.53 0.02) = 8.166% kept HA GLU- 56 - QG2 VAL 40 4.762% * 5.4724% (0.47 0.29 0.53) = 5.472% kept HA PRO 52 - QG2 VAL 40 4.762% * 4.6629% (0.39 0.30 0.02) = 4.663% kept HA VAL 94 - QG2 VAL 40 4.762% * 1.7315% (0.38 0.12 0.02) = 1.731% kept HA GLU- 64 - QG2 VAL 40 4.762% * 0.3860% (0.49 0.02 0.02) = 0.386% HA GLU- 107 - QG2 VAL 40 4.762% * 0.3224% (0.41 0.02 0.02) = 0.322% HA SER 85 - QG2 VAL 40 4.762% * 0.3091% (0.39 0.02 0.02) = 0.309% HA ALA 11 - QG2 VAL 40 4.762% * 0.2803% (0.36 0.02 0.02) = 0.280% HA VAL 122 - QG2 VAL 40 4.762% * 0.2185% (0.28 0.02 0.02) = 0.219% HA LEU 90 - QG2 VAL 40 4.762% * 0.1879% (0.24 0.02 0.02) = 0.188% HA PRO 59 - QG2 VAL 40 4.762% * 0.1879% (0.24 0.02 0.92) = 0.188% HB3 CYS 121 - QG2 VAL 40 4.762% * 0.1191% (0.15 0.02 0.02) = 0.119% HA GLU- 10 - QG2 VAL 40 4.762% * 0.0963% (0.12 0.02 0.02) = 0.096% HA GLU- 54 - QG2 VAL 40 4.762% * 0.0963% (0.12 0.02 0.02) = 0.096% HA LYS+ 108 - QG2 VAL 40 4.762% * 0.0963% (0.12 0.02 0.02) = 0.096% HB3 SER 49 - QG2 VAL 40 4.762% * 0.0904% (0.12 0.02 0.02) = 0.090% HA THR 106 - QG2 VAL 40 4.762% * 0.0859% (0.11 0.02 0.02) = 0.086% HA CYS 121 - QG2 VAL 40 4.762% * 0.0764% (0.10 0.02 0.02) = 0.076% Peak 3912 (3.45, 3.44, 66.58 ppm): 2 diagonal assignments: HA VAL 62 - HA VAL 62 (0.68) kept * HA VAL 40 - HA VAL 40 (0.58) kept Peak 3913 (4.24, 4.23, 55.11 ppm): 1 diagonal assignment: * HA ALA 42 - HA ALA 42 (0.21) kept Peak 3914 (1.56, 4.23, 55.11 ppm): 10 chemical-shift based assignments, quality = 0.194, support = 2.96, residual support = 18.7: * O T QB ALA 42 - HA ALA 42 10.000% * 99.1953% (0.20 10.0 10.00 2.98 18.89) = 99.195% kept HD3 LYS+ 81 - HA ALA 42 10.000% * 0.1106% (0.22 1.0 1.00 0.02 0.02) = 0.111% HD3 LYS+ 60 - HA ALA 42 10.000% * 0.1096% (0.22 1.0 1.00 0.02 0.02) = 0.110% HG LEU 17 - HA ALA 42 10.000% * 0.1067% (0.21 1.0 1.00 0.02 0.02) = 0.107% HB ILE 19 - HA ALA 42 10.000% * 0.1046% (0.21 1.0 1.00 0.02 0.02) = 0.105% HG12 ILE 29 - HA ALA 42 10.000% * 0.0992% (0.20 1.0 1.00 0.02 0.02) = 0.099% HB3 LEU 90 - HA ALA 42 10.000% * 0.0924% (0.18 1.0 1.00 0.02 0.02) = 0.092% HG13 ILE 29 - HA ALA 42 10.000% * 0.0803% (0.16 1.0 1.00 0.02 0.02) = 0.080% QG2 THR 24 - HA ALA 42 10.000% * 0.0671% (0.13 1.0 1.00 0.02 0.02) = 0.067% HB3 LYS+ 32 - HA ALA 42 10.000% * 0.0341% (0.07 1.0 1.00 0.02 0.02) = 0.034% Peak 3915 (7.97, 3.73, 58.36 ppm): 3 chemical-shift based assignments, quality = 0.78, support = 6.76, residual support = 177.5: * O HN LEU 43 - HA LEU 43 33.333% * 98.6451% (0.79 10.0 6.84 179.96) = 98.645% kept HN MET 126 - HA LEU 43 33.333% * 1.3064% (0.21 1.0 0.99 0.28) = 1.306% kept HN LYS+ 72 - HA LEU 43 33.333% * 0.0486% (0.39 1.0 0.02 0.02) = 0.049% Peak 3916 (7.35, 3.73, 58.36 ppm): 5 chemical-shift based assignments, quality = 0.472, support = 1.75, residual support = 13.4: QE PHE 34 - HA LEU 43 20.000% * 54.7270% (0.53 2.24 14.98) = 54.727% kept HZ PHE 34 - HA LEU 43 20.000% * 18.3537% (0.53 0.75 14.98) = 18.354% kept * QD PHE 34 - HA LEU 43 20.000% * 16.0015% (0.17 2.12 14.98) = 16.002% kept HZ2 TRP 51 - HA LEU 43 20.000% * 10.4296% (0.53 0.43 0.18) = 10.430% kept HE22 GLN 102 - HA LEU 43 20.000% * 0.4882% (0.53 0.02 0.02) = 0.488% Peak 3917 (7.35, 0.48, 25.65 ppm): 10 chemical-shift based assignments, quality = 0.188, support = 1.06, residual support = 11.5: * QE PHE 34 - QD2 LEU 43 10.000% * 38.3351% (0.20 1.39 14.98) = 38.335% kept HZ PHE 34 - QD2 LEU 43 10.000% * 29.9895% (0.20 1.08 14.98) = 29.990% kept HZ2 TRP 51 - QD2 LEU 43 10.000% * 18.3117% (0.20 0.66 0.18) = 18.312% kept QD PHE 34 - QD2 LEU 43 10.000% * 8.1217% (0.06 0.95 14.98) = 8.122% kept HE22 GLN 102 - QD2 LEU 74 10.000% * 2.5965% (0.23 0.08 0.02) = 2.596% kept HZ2 TRP 51 - QD2 LEU 74 10.000% * 0.6322% (0.23 0.02 0.23) = 0.632% QE PHE 34 - QD2 LEU 74 10.000% * 0.6322% (0.23 0.02 0.02) = 0.632% HZ PHE 34 - QD2 LEU 74 10.000% * 0.6322% (0.23 0.02 0.02) = 0.632% HE22 GLN 102 - QD2 LEU 43 10.000% * 0.5534% (0.20 0.02 0.02) = 0.553% QD PHE 34 - QD2 LEU 74 10.000% * 0.1956% (0.07 0.02 0.02) = 0.196% Peak 3918 (7.80, 2.24, 29.25 ppm): 10 chemical-shift based assignments, quality = 0.704, support = 3.71, residual support = 17.7: * HN THR 46 - HB3 GLU- 45 10.000% * 72.0351% (0.72 4.84 24.18) = 72.035% kept HN VAL 87 - HB3 GLU- 45 10.000% * 16.7519% (0.76 1.07 1.57) = 16.752% kept HN THR 46 - HB2 GLU- 50 10.000% * 5.3119% (0.42 0.62 0.02) = 5.312% kept HN LYS+ 55 - HB3 GLU- 45 10.000% * 3.2191% (0.72 0.22 0.02) = 3.219% kept HN ALA 93 - HB2 GLU- 50 10.000% * 1.8395% (0.56 0.16 0.02) = 1.839% kept HN ALA 93 - HB3 GLU- 45 10.000% * 0.4014% (0.98 0.02 0.02) = 0.401% HN VAL 87 - HB2 GLU- 50 10.000% * 0.1813% (0.44 0.02 0.02) = 0.181% HN LYS+ 55 - HB2 GLU- 50 10.000% * 0.1723% (0.42 0.02 0.02) = 0.172% HN LYS+ 63 - HB3 GLU- 45 10.000% * 0.0554% (0.13 0.02 0.02) = 0.055% HN LYS+ 63 - HB2 GLU- 50 10.000% * 0.0321% (0.08 0.02 0.02) = 0.032% Peak 3919 (4.24, 2.24, 29.25 ppm): 32 chemical-shift based assignments, quality = 0.78, support = 1.02, residual support = 3.97: T HA LYS+ 108 - HB3 GLU- 45 3.125% * 27.8820% (0.99 10.00 1.07 0.60) = 27.882% kept * T HA ALA 42 - HB3 GLU- 45 3.125% * 20.4365% (0.94 10.00 0.83 3.50) = 20.436% kept T HA GLU- 10 - HB3 GLU- 45 3.125% * 19.0403% (0.99 10.00 0.73 0.85) = 19.040% kept T HB3 SER 49 - HB3 GLU- 45 3.125% * 14.1588% (0.41 10.00 1.32 4.72) = 14.159% kept T HB3 SER 49 - HB2 GLU- 50 3.125% * 10.2556% (0.24 10.00 1.65 17.78) = 10.256% kept HA SER 49 - HB3 GLU- 45 3.125% * 2.3941% (0.89 1.00 1.02 4.72) = 2.394% kept HA SER 49 - HB2 GLU- 50 3.125% * 1.8141% (0.52 1.00 1.34 17.78) = 1.814% kept HA GLU- 109 - HB3 GLU- 45 3.125% * 1.1384% (0.72 1.00 0.60 0.02) = 1.138% kept HA ALA 11 - HB2 GLU- 50 3.125% * 0.8138% (0.40 1.00 0.78 0.02) = 0.814% T HA GLU- 10 - HB2 GLU- 50 3.125% * 0.3028% (0.58 10.00 0.02 0.02) = 0.303% T HA LYS+ 108 - HB2 GLU- 50 3.125% * 0.3028% (0.58 10.00 0.02 0.02) = 0.303% T HA GLU- 107 - HB3 GLU- 45 3.125% * 0.2959% (0.56 10.00 0.02 0.02) = 0.296% T HA ALA 42 - HB2 GLU- 50 3.125% * 0.2865% (0.55 10.00 0.02 0.02) = 0.286% T HA GLU- 12 - HB3 GLU- 45 3.125% * 0.2149% (0.41 10.00 0.02 0.02) = 0.215% T HA GLU- 107 - HB2 GLU- 50 3.125% * 0.1714% (0.33 10.00 0.02 0.02) = 0.171% T HA GLU- 12 - HB2 GLU- 50 3.125% * 0.1245% (0.24 10.00 0.02 0.02) = 0.124% HA GLU- 54 - HB3 GLU- 45 3.125% * 0.0523% (0.99 1.00 0.02 0.02) = 0.052% HA PRO 59 - HB3 GLU- 45 3.125% * 0.0469% (0.89 1.00 0.02 0.02) = 0.047% HA ALA 11 - HB3 GLU- 45 3.125% * 0.0359% (0.68 1.00 0.02 0.88) = 0.036% HA ASN 76 - HB3 GLU- 45 3.125% * 0.0317% (0.60 1.00 0.02 0.02) = 0.032% HA GLU- 54 - HB2 GLU- 50 3.125% * 0.0303% (0.58 1.00 0.02 0.02) = 0.030% HA ASN 119 - HB3 GLU- 45 3.125% * 0.0296% (0.56 1.00 0.02 0.02) = 0.030% HA PRO 59 - HB2 GLU- 50 3.125% * 0.0272% (0.52 1.00 0.02 0.81) = 0.027% HA GLU- 109 - HB2 GLU- 50 3.125% * 0.0220% (0.42 1.00 0.02 0.02) = 0.022% HA ASN 76 - HB2 GLU- 50 3.125% * 0.0184% (0.35 1.00 0.02 0.02) = 0.018% HA ASN 119 - HB2 GLU- 50 3.125% * 0.0171% (0.33 1.00 0.02 0.02) = 0.017% HA GLU- 75 - HB3 GLU- 45 3.125% * 0.0145% (0.28 1.00 0.02 0.11) = 0.015% HA GLU- 64 - HB3 GLU- 45 3.125% * 0.0130% (0.25 1.00 0.02 0.02) = 0.013% HA GLU- 75 - HB2 GLU- 50 3.125% * 0.0084% (0.16 1.00 0.02 0.72) = 0.008% HA GLU- 56 - HB3 GLU- 45 3.125% * 0.0081% (0.15 1.00 0.02 0.02) = 0.008% HA GLU- 64 - HB2 GLU- 50 3.125% * 0.0076% (0.14 1.00 0.02 0.02) = 0.008% HA GLU- 56 - HB2 GLU- 50 3.125% * 0.0047% (0.09 1.00 0.02 0.47) = 0.005% Peak 3920 (3.86, 2.24, 29.25 ppm): 20 chemical-shift based assignments, quality = 0.907, support = 5.14, residual support = 73.0: * O HA GLU- 45 - HB3 GLU- 45 5.000% * 98.8071% (0.92 10.0 5.20 73.84) = 98.807% kept HB3 SER 77 - HB3 GLU- 45 5.000% * 0.1068% (0.99 1.0 0.02 0.02) = 0.107% HA2 GLY 114 - HB3 GLU- 45 5.000% * 0.1068% (0.99 1.0 0.02 0.02) = 0.107% HB2 SER 85 - HB3 GLU- 45 5.000% * 0.1061% (0.99 1.0 0.02 0.02) = 0.106% HB3 SER 88 - HB3 GLU- 45 5.000% * 0.1049% (0.98 1.0 0.02 0.21) = 0.105% HB3 SER 27 - HB3 GLU- 45 5.000% * 0.1013% (0.94 1.0 0.02 0.02) = 0.101% HA2 GLY 114 - HB2 GLU- 50 5.000% * 0.0619% (0.57 1.0 0.02 0.21) = 0.062% HB3 SER 77 - HB2 GLU- 50 5.000% * 0.0619% (0.57 1.0 0.02 0.02) = 0.062% HB2 SER 85 - HB2 GLU- 50 5.000% * 0.0615% (0.57 1.0 0.02 0.02) = 0.061% HB3 SER 88 - HB2 GLU- 50 5.000% * 0.0608% (0.56 1.0 0.02 0.02) = 0.061% HD3 PRO 35 - HB3 GLU- 45 5.000% * 0.0606% (0.56 1.0 0.02 0.02) = 0.061% HB3 SER 27 - HB2 GLU- 50 5.000% * 0.0587% (0.55 1.0 0.02 0.02) = 0.059% HA GLU- 45 - HB2 GLU- 50 5.000% * 0.0572% (0.53 1.0 0.02 0.02) = 0.057% HD2 PRO 116 - HB3 GLU- 45 5.000% * 0.0521% (0.48 1.0 0.02 0.02) = 0.052% HD2 PRO 86 - HB3 GLU- 45 5.000% * 0.0440% (0.41 1.0 0.02 0.02) = 0.044% HA LYS+ 117 - HB3 GLU- 45 5.000% * 0.0365% (0.34 1.0 0.02 0.02) = 0.037% HD3 PRO 35 - HB2 GLU- 50 5.000% * 0.0351% (0.33 1.0 0.02 0.02) = 0.035% HD2 PRO 116 - HB2 GLU- 50 5.000% * 0.0302% (0.28 1.0 0.02 0.02) = 0.030% HD2 PRO 86 - HB2 GLU- 50 5.000% * 0.0255% (0.24 1.0 0.02 0.02) = 0.025% HA LYS+ 117 - HB2 GLU- 50 5.000% * 0.0212% (0.20 1.0 0.02 0.13) = 0.021% Peak 3921 (2.24, 2.24, 29.25 ppm): 2 diagonal assignments: * HB3 GLU- 45 - HB3 GLU- 45 (0.99) kept HB2 GLU- 50 - HB2 GLU- 50 (0.24) kept Peak 3922 (2.04, 2.04, 29.30 ppm): 2 diagonal assignments: * HB2 GLU- 45 - HB2 GLU- 45 (0.66) kept HB3 GLU- 54 - HB3 GLU- 54 (0.12) kept Peak 3923 (3.44, 1.74, 38.80 ppm): 6 chemical-shift based assignments, quality = 0.893, support = 5.79, residual support = 138.4: * O T HA ILE 48 - HB ILE 48 16.667% * 91.9545% (0.89 10.0 10.00 6.19 149.82) = 91.954% kept HA VAL 62 - HB ILE 48 16.667% * 6.9327% (0.95 1.0 1.00 1.42 9.55) = 6.933% kept HA VAL 40 - HB ILE 48 16.667% * 1.0113% (0.59 1.0 1.00 0.33 0.02) = 1.011% kept HA VAL 80 - HB ILE 48 16.667% * 0.0564% (0.55 1.0 1.00 0.02 0.02) = 0.056% HD3 PRO 31 - HB ILE 48 16.667% * 0.0277% (0.27 1.0 1.00 0.02 0.02) = 0.028% HA1 GLY 71 - HB ILE 48 16.667% * 0.0174% (0.17 1.0 1.00 0.02 0.78) = 0.017% Peak 3924 (3.86, 1.74, 38.80 ppm): 10 chemical-shift based assignments, quality = 0.877, support = 1.64, residual support = 2.98: HB2 SER 85 - HB ILE 48 10.000% * 27.3119% (0.96 2.30 1.67) = 27.312% kept * HA GLU- 45 - HB ILE 48 10.000% * 24.9419% (0.89 2.26 9.33) = 24.942% kept HA2 GLY 114 - HB ILE 48 10.000% * 17.9558% (0.97 1.50 0.80) = 17.956% kept HB3 SER 27 - HB ILE 48 10.000% * 8.9587% (0.92 0.79 0.26) = 8.959% kept HD3 PRO 35 - HB ILE 48 10.000% * 4.9170% (0.55 0.73 0.22) = 4.917% kept HB3 SER 77 - HB ILE 48 10.000% * 4.3849% (0.97 0.37 0.02) = 4.385% kept HB3 SER 88 - HB ILE 48 10.000% * 4.1681% (0.95 0.36 0.02) = 4.168% kept HD2 PRO 86 - HB ILE 48 10.000% * 3.5958% (0.40 0.73 0.49) = 3.596% kept HD2 PRO 116 - HB ILE 48 10.000% * 3.0051% (0.47 0.52 0.02) = 3.005% kept HA LYS+ 117 - HB ILE 48 10.000% * 0.7610% (0.33 0.19 0.02) = 0.761% Peak 3925 (1.74, 1.74, 38.80 ppm): 1 diagonal assignment: * HB ILE 48 - HB ILE 48 (0.97) kept Peak 3926 (1.49, 1.74, 38.80 ppm): 7 chemical-shift based assignments, quality = 0.625, support = 0.286, residual support = 0.265: HB3 LYS+ 44 - HB ILE 48 14.286% * 39.4600% (0.84 0.32 0.51) = 39.460% kept HG3 LYS+ 72 - HB ILE 48 14.286% * 21.8026% (0.43 0.34 0.13) = 21.803% kept HD3 LYS+ 108 - HB ILE 48 14.286% * 16.8725% (0.66 0.17 0.02) = 16.873% kept HB3 LEU 67 - HB ILE 48 14.286% * 16.8607% (0.33 0.34 0.17) = 16.861% kept QB ALA 70 - HB ILE 48 14.286% * 2.5777% (0.87 0.02 0.02) = 2.578% kept HB2 LYS+ 72 - HB ILE 48 14.286% * 1.6273% (0.55 0.02 0.13) = 1.627% kept HG3 PRO 52 - HB ILE 48 14.286% * 0.7991% (0.27 0.02 0.02) = 0.799% Reference assignment not found: HG13 ILE 48 - HB ILE 48 Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 3927 (0.73, 1.74, 38.80 ppm): 10 chemical-shift based assignments, quality = 0.681, support = 6.07, residual support = 129.3: * O QG2 ILE 48 - HB ILE 48 10.000% * 86.3147% (0.69 10.0 6.91 149.82) = 86.315% kept HG3 LYS+ 44 - HB ILE 48 10.000% * 5.2835% (0.66 1.0 1.27 0.51) = 5.283% kept QD1 ILE 68 - HB ILE 48 10.000% * 2.3905% (0.93 1.0 0.41 0.02) = 2.391% kept HG3 LYS+ 66 - HB ILE 48 10.000% * 1.8286% (0.66 1.0 0.44 0.02) = 1.829% kept QG2 THR 96 - HB ILE 48 10.000% * 1.6500% (0.36 1.0 0.72 0.02) = 1.650% kept HG LEU 74 - HB ILE 48 10.000% * 1.4985% (0.84 1.0 0.28 0.02) = 1.498% kept QG2 VAL 65 - HB ILE 48 10.000% * 0.4943% (0.89 1.0 0.09 1.26) = 0.494% QG2 ILE 101 - HB ILE 48 10.000% * 0.3938% (0.60 1.0 0.10 0.14) = 0.394% QG1 VAL 40 - HB ILE 48 10.000% * 0.1191% (0.95 1.0 0.02 0.02) = 0.119% QG1 VAL 65 - HB ILE 48 10.000% * 0.0270% (0.22 1.0 0.02 1.26) = 0.027% Peak 3928 (3.44, 0.39, 29.23 ppm): 6 chemical-shift based assignments, quality = 0.89, support = 3.18, residual support = 80.3: * O T HA ILE 48 - HG12 ILE 48 16.667% * 50.7117% (0.88 10.0 10.00 4.75 149.82) = 50.712% kept T HA VAL 62 - HG12 ILE 48 16.667% * 45.2419% (0.93 1.0 10.00 1.68 9.55) = 45.242% kept T HA VAL 40 - HG12 ILE 48 16.667% * 3.9904% (0.58 1.0 10.00 0.24 0.02) = 3.990% kept HA VAL 80 - HG12 ILE 48 16.667% * 0.0311% (0.54 1.0 1.00 0.02 0.02) = 0.031% HD3 PRO 31 - HG12 ILE 48 16.667% * 0.0153% (0.26 1.0 1.00 0.02 0.02) = 0.015% HA1 GLY 71 - HG12 ILE 48 16.667% * 0.0096% (0.17 1.0 1.00 0.02 0.78) = 0.010% Peak 3929 (3.44, 1.46, 29.22 ppm): 6 chemical-shift based assignments, quality = 0.9, support = 5.08, residual support = 138.6: * O T HA ILE 48 - HG13 ILE 48 16.667% * 92.0888% (0.90 10.0 10.00 5.41 149.82) = 92.089% kept HA VAL 62 - HG13 ILE 48 16.667% * 6.9654% (0.96 1.0 1.00 1.42 9.55) = 6.965% kept HA VAL 40 - HG13 ILE 48 16.667% * 0.8441% (0.59 1.0 1.00 0.28 0.02) = 0.844% HA VAL 80 - HG13 ILE 48 16.667% * 0.0565% (0.55 1.0 1.00 0.02 0.02) = 0.056% HD3 PRO 31 - HG13 ILE 48 16.667% * 0.0277% (0.27 1.0 1.00 0.02 0.02) = 0.028% HA1 GLY 71 - HG13 ILE 48 16.667% * 0.0175% (0.17 1.0 1.00 0.02 0.78) = 0.017% Peak 3930 (4.24, 4.23, 61.72 ppm): 2 diagonal assignments: * HA SER 49 - HA SER 49 (0.50) kept HA PRO 59 - HA PRO 59 (0.23) kept Peak 3931 (4.25, 4.06, 63.54 ppm): 1 diagonal assignment: HB3 SER 49 - HB3 SER 49 (0.06) kept Reference assignment not found: HA SER 49 - HB3 SER 49 Peak 3932 (4.11, 4.06, 63.54 ppm): 1 diagonal assignment: HB3 SER 49 - HB3 SER 49 (0.15) kept Reference assignment not found: HA THR 46 - HB3 SER 49 Peak 3933 (0.91, 4.06, 63.54 ppm): 52 chemical-shift based assignments, quality = 0.184, support = 0.682, residual support = 0.638: HG12 ILE 68 - HB3 SER 49 1.923% * 18.1628% (0.13 1.78 1.95) = 18.163% kept QG1 VAL 47 - HB2 SER 49 1.923% * 16.0855% (0.28 0.73 0.02) = 16.085% kept HG3 LYS+ 117 - HB2 SER 49 1.923% * 15.0396% (0.34 0.56 0.55) = 15.040% kept HG12 ILE 68 - HB2 SER 49 1.923% * 8.9923% (0.29 0.38 1.95) = 8.992% kept QG1 VAL 47 - HB3 SER 49 1.923% * 6.1689% (0.12 0.64 0.02) = 6.169% kept QD1 LEU 67 - HB3 SER 49 1.923% * 5.7007% (0.13 0.53 0.02) = 5.701% kept QG1 VAL 47 - HB3 SER 85 1.923% * 3.6687% (0.15 0.31 0.02) = 3.669% kept HG3 LYS+ 110 - HB3 SER 85 1.923% * 3.3564% (0.17 0.24 0.02) = 3.356% kept HG3 LYS+ 117 - HB3 SER 49 1.923% * 3.0812% (0.15 0.26 0.55) = 3.081% kept QG2 VAL 105 - HB3 SER 49 1.923% * 2.9123% (0.08 0.46 0.02) = 2.912% kept QG1 VAL 105 - HB3 SER 49 1.923% * 2.3411% (0.07 0.44 0.02) = 2.341% kept HG12 ILE 68 - HB3 SER 85 1.923% * 1.3908% (0.16 0.11 0.02) = 1.391% kept QG2 VAL 40 - HB3 SER 85 1.923% * 1.3045% (0.13 0.12 0.02) = 1.304% kept QG1 VAL 80 - HB2 SER 49 1.923% * 0.6964% (0.11 0.08 0.02) = 0.696% QG2 VAL 80 - HB2 SER 49 1.923% * 0.5771% (0.36 0.02 0.02) = 0.577% QG2 VAL 62 - HB2 SER 49 1.923% * 0.5680% (0.05 0.13 0.02) = 0.568% QG2 VAL 80 - HA VAL 125 1.923% * 0.5527% (0.35 0.02 0.02) = 0.553% HG3 LYS+ 110 - HB2 SER 49 1.923% * 0.5153% (0.32 0.02 0.02) = 0.515% HG3 LYS+ 117 - HA VAL 125 1.923% * 0.5148% (0.32 0.02 0.02) = 0.515% HG3 LYS+ 110 - HA VAL 125 1.923% * 0.4935% (0.31 0.02 0.02) = 0.493% QD1 LEU 67 - HB2 SER 49 1.923% * 0.4918% (0.31 0.02 0.02) = 0.492% QD1 LEU 67 - HA VAL 125 1.923% * 0.4710% (0.29 0.02 0.02) = 0.471% HG12 ILE 68 - HA VAL 125 1.923% * 0.4475% (0.28 0.02 0.02) = 0.448% QG1 VAL 47 - HA VAL 125 1.923% * 0.4233% (0.27 0.02 0.02) = 0.423% QG2 VAL 87 - HB2 SER 49 1.923% * 0.3903% (0.24 0.02 0.02) = 0.390% QG2 VAL 40 - HB2 SER 49 1.923% * 0.3903% (0.24 0.02 0.02) = 0.390% QG2 VAL 40 - HA VAL 125 1.923% * 0.3738% (0.23 0.02 0.02) = 0.374% QG2 VAL 87 - HA VAL 125 1.923% * 0.3738% (0.23 0.02 0.02) = 0.374% QG2 VAL 80 - HB3 SER 85 1.923% * 0.3120% (0.20 0.02 0.02) = 0.312% HG3 LYS+ 117 - HB3 SER 85 1.923% * 0.2906% (0.18 0.02 0.02) = 0.291% QG2 VAL 105 - HB2 SER 49 1.923% * 0.2885% (0.18 0.02 0.02) = 0.288% QG2 VAL 105 - HA VAL 125 1.923% * 0.2763% (0.17 0.02 0.02) = 0.276% QD1 LEU 67 - HB3 SER 85 1.923% * 0.2659% (0.17 0.02 0.02) = 0.266% QD1 LEU 17 - HB2 SER 49 1.923% * 0.2645% (0.17 0.02 0.02) = 0.265% QD1 LEU 17 - HA VAL 125 1.923% * 0.2534% (0.16 0.02 0.02) = 0.253% QG2 VAL 80 - HB3 SER 49 1.923% * 0.2527% (0.16 0.02 0.02) = 0.253% QG1 VAL 105 - HB2 SER 49 1.923% * 0.2415% (0.15 0.02 0.02) = 0.242% QG1 VAL 105 - HA VAL 125 1.923% * 0.2313% (0.14 0.02 0.02) = 0.231% HG3 LYS+ 110 - HB3 SER 49 1.923% * 0.2257% (0.14 0.02 0.02) = 0.226% QG2 VAL 87 - HB3 SER 85 1.923% * 0.2110% (0.13 0.02 0.12) = 0.211% QG1 VAL 80 - HA VAL 125 1.923% * 0.1714% (0.11 0.02 0.02) = 0.171% QG2 VAL 87 - HB3 SER 49 1.923% * 0.1709% (0.11 0.02 0.02) = 0.171% QG2 VAL 40 - HB3 SER 49 1.923% * 0.1709% (0.11 0.02 0.02) = 0.171% QG2 VAL 105 - HB3 SER 85 1.923% * 0.1560% (0.10 0.02 0.02) = 0.156% QD1 LEU 17 - HB3 SER 85 1.923% * 0.1430% (0.09 0.02 0.02) = 0.143% QG1 VAL 105 - HB3 SER 85 1.923% * 0.1306% (0.08 0.02 0.02) = 0.131% QD1 LEU 17 - HB3 SER 49 1.923% * 0.1159% (0.07 0.02 0.02) = 0.116% QG1 VAL 80 - HB3 SER 85 1.923% * 0.0967% (0.06 0.02 0.02) = 0.097% QG2 VAL 62 - HA VAL 125 1.923% * 0.0834% (0.05 0.02 0.02) = 0.083% QG1 VAL 80 - HB3 SER 49 1.923% * 0.0784% (0.05 0.02 0.02) = 0.078% QG2 VAL 62 - HB3 SER 85 1.923% * 0.0471% (0.03 0.02 0.02) = 0.047% QG2 VAL 62 - HB3 SER 49 1.923% * 0.0381% (0.02 0.02 0.02) = 0.038% Not enough quality. Peak unassigned. Peak 3934 (8.77, 2.34, 36.71 ppm): 8 chemical-shift based assignments, quality = 0.75, support = 1.03, residual support = 1.63: HN THR 95 - HG3 GLU- 56 12.500% * 41.4590% (0.88 1.26 2.82) = 41.459% kept HN SER 69 - HG3 GLU- 56 12.500% * 26.8189% (0.73 0.98 0.92) = 26.819% kept HN PHE 34 - HG3 GLU- 56 12.500% * 22.0574% (0.66 0.90 0.96) = 22.057% kept HN VAL 62 - HG3 GLU- 56 12.500% * 9.3419% (0.47 0.54 0.02) = 9.342% kept HN THR 95 - HG3 GLU- 50 12.500% * 0.1041% (0.14 0.02 0.02) = 0.104% HN SER 69 - HG3 GLU- 50 12.500% * 0.0862% (0.12 0.02 0.02) = 0.086% HN PHE 34 - HG3 GLU- 50 12.500% * 0.0775% (0.10 0.02 0.02) = 0.077% HN VAL 62 - HG3 GLU- 50 12.500% * 0.0549% (0.07 0.02 0.02) = 0.055% Reference assignment not found: HN GLU- 56 - HG3 GLU- 56 Peak 3935 (3.83, 0.95, 22.15 ppm): 12 chemical-shift based assignments, quality = 0.176, support = 0.636, residual support = 0.238: HD3 PRO 112 - QG2 VAL 73 8.333% * 51.2337% (0.11 1.07 0.41) = 51.234% kept HD3 PRO 112 - QG2 VAL 62 8.333% * 19.8175% (0.11 0.42 0.10) = 19.818% kept HA2 GLY 92 - QG2 VAL 73 8.333% * 3.7689% (0.42 0.02 0.02) = 3.769% kept HA2 GLY 92 - QG2 VAL 62 8.333% * 3.7267% (0.42 0.02 0.02) = 3.727% kept HD3 PRO 116 - QG2 VAL 73 8.333% * 3.3353% (0.37 0.02 0.02) = 3.335% kept HD3 PRO 116 - QG2 VAL 62 8.333% * 3.2980% (0.37 0.02 0.02) = 3.298% kept HD3 PRO 86 - QG2 VAL 73 8.333% * 3.0788% (0.34 0.02 0.02) = 3.079% kept HD3 PRO 86 - QG2 VAL 62 8.333% * 3.0444% (0.34 0.02 0.02) = 3.044% kept HA LYS+ 117 - QG2 VAL 73 8.333% * 2.7921% (0.31 0.02 0.14) = 2.792% kept HA LYS+ 117 - QG2 VAL 62 8.333% * 2.7608% (0.31 0.02 0.02) = 2.761% kept HB3 SER 41 - QG2 VAL 73 8.333% * 1.5807% (0.18 0.02 0.02) = 1.581% kept HB3 SER 41 - QG2 VAL 62 8.333% * 1.5630% (0.17 0.02 0.02) = 1.563% kept Not enough quality. Peak unassigned. Peak 3936 (1.97, 1.97, 31.80 ppm): 3 diagonal assignments: * HB VAL 73 - HB VAL 73 (0.97) kept HB2 PRO 86 - HB2 PRO 86 (0.12) kept HB2 GLU- 75 - HB2 GLU- 75 (0.07) kept Peak 3937 (3.83, 1.97, 31.80 ppm): 27 chemical-shift based assignments, quality = 0.0894, support = 3.23, residual support = 20.1: O HD3 PRO 86 - HB2 PRO 86 3.704% * 88.4580% (0.09 10.0 3.57 22.64) = 88.458% kept HB2 SER 85 - HB2 PRO 86 3.704% * 3.0295% (0.03 1.0 2.10 2.67) = 3.030% kept HA2 GLY 92 - HB2 GLU- 75 3.704% * 1.6088% (0.35 1.0 0.10 0.02) = 1.609% kept HB3 SER 88 - HB2 PRO 86 3.704% * 1.4605% (0.03 1.0 0.90 0.02) = 1.461% kept HA LYS+ 117 - HB VAL 73 3.704% * 0.8306% (0.87 1.0 0.02 0.14) = 0.831% HA2 GLY 92 - HB VAL 73 3.704% * 0.8034% (0.85 1.0 0.02 0.02) = 0.803% HD3 PRO 116 - HB VAL 73 3.704% * 0.6362% (0.67 1.0 0.02 0.02) = 0.636% HD3 PRO 86 - HB VAL 73 3.704% * 0.5617% (0.59 1.0 0.02 0.02) = 0.562% HA LYS+ 117 - HB2 GLU- 75 3.704% * 0.3412% (0.36 1.0 0.02 0.02) = 0.341% HD3 PRO 116 - HB2 GLU- 75 3.704% * 0.2614% (0.28 1.0 0.02 0.02) = 0.261% HB3 SER 41 - HB VAL 73 3.704% * 0.2309% (0.24 1.0 0.02 0.02) = 0.231% HD3 PRO 86 - HB2 GLU- 75 3.704% * 0.2308% (0.24 1.0 0.02 0.02) = 0.231% HB3 SER 88 - HB VAL 73 3.704% * 0.2062% (0.22 1.0 0.02 0.02) = 0.206% HB2 SER 85 - HB VAL 73 3.704% * 0.1833% (0.19 1.0 0.02 0.02) = 0.183% HA2 GLY 114 - HB VAL 73 3.704% * 0.1622% (0.17 1.0 0.02 0.02) = 0.162% HB3 SER 77 - HB VAL 73 3.704% * 0.1622% (0.17 1.0 0.02 0.02) = 0.162% HA LYS+ 117 - HB2 PRO 86 3.704% * 0.1308% (0.14 1.0 0.02 0.02) = 0.131% HA2 GLY 92 - HB2 PRO 86 3.704% * 0.1265% (0.13 1.0 0.02 0.02) = 0.127% HD3 PRO 116 - HB2 PRO 86 3.704% * 0.1002% (0.11 1.0 0.02 0.02) = 0.100% HB3 SER 41 - HB2 GLU- 75 3.704% * 0.0949% (0.10 1.0 0.02 0.02) = 0.095% HB3 SER 88 - HB2 GLU- 75 3.704% * 0.0847% (0.09 1.0 0.02 0.02) = 0.085% HB2 SER 85 - HB2 GLU- 75 3.704% * 0.0753% (0.08 1.0 0.02 0.02) = 0.075% HB3 SER 77 - HB2 GLU- 75 3.704% * 0.0666% (0.07 1.0 0.02 0.02) = 0.067% HA2 GLY 114 - HB2 GLU- 75 3.704% * 0.0666% (0.07 1.0 0.02 0.02) = 0.067% HB3 SER 41 - HB2 PRO 86 3.704% * 0.0364% (0.04 1.0 0.02 0.02) = 0.036% HA2 GLY 114 - HB2 PRO 86 3.704% * 0.0255% (0.03 1.0 0.02 0.02) = 0.026% HB3 SER 77 - HB2 PRO 86 3.704% * 0.0255% (0.03 1.0 0.02 0.02) = 0.026% Peak 3938 (4.19, 1.97, 31.80 ppm): 18 chemical-shift based assignments, quality = 0.823, support = 2.57, residual support = 24.1: * O T HA VAL 73 - HB VAL 73 5.556% * 96.2571% (0.85 10.0 10.00 2.67 25.01) = 96.257% kept T HA VAL 65 - HB VAL 73 5.556% * 1.0244% (0.90 1.0 10.00 0.02 0.02) = 1.024% kept T HB3 SER 49 - HB VAL 73 5.556% * 0.9391% (0.82 1.0 10.00 0.02 0.02) = 0.939% T HA ASP- 82 - HB VAL 73 5.556% * 0.4975% (0.44 1.0 10.00 0.02 0.02) = 0.498% T HA VAL 105 - HB VAL 73 5.556% * 0.3085% (0.27 1.0 10.00 0.02 0.02) = 0.309% T HA ASP- 82 - HB2 GLU- 75 5.556% * 0.2044% (0.18 1.0 10.00 0.02 0.02) = 0.204% T HA VAL 65 - HB2 PRO 86 5.556% * 0.1613% (0.14 1.0 10.00 0.02 0.02) = 0.161% T HA VAL 73 - HB2 PRO 86 5.556% * 0.1516% (0.13 1.0 10.00 0.02 0.02) = 0.152% T HB3 SER 49 - HB2 PRO 86 5.556% * 0.1479% (0.13 1.0 10.00 0.02 0.02) = 0.148% T HA ASP- 82 - HB2 PRO 86 5.556% * 0.0783% (0.07 1.0 10.00 0.02 0.02) = 0.078% T HA VAL 105 - HB2 PRO 86 5.556% * 0.0486% (0.04 1.0 10.00 0.02 0.02) = 0.049% HA VAL 65 - HB2 GLU- 75 5.556% * 0.0421% (0.37 1.0 1.00 0.02 0.02) = 0.042% HA VAL 73 - HB2 GLU- 75 5.556% * 0.0395% (0.35 1.0 1.00 0.02 0.02) = 0.040% HB3 SER 49 - HB2 GLU- 75 5.556% * 0.0386% (0.34 1.0 1.00 0.02 0.02) = 0.039% HB THR 106 - HB VAL 73 5.556% * 0.0309% (0.27 1.0 1.00 0.02 0.11) = 0.031% HB THR 106 - HB2 GLU- 75 5.556% * 0.0127% (0.11 1.0 1.00 0.02 0.02) = 0.013% HA VAL 105 - HB2 GLU- 75 5.556% * 0.0127% (0.11 1.0 1.00 0.02 0.02) = 0.013% HB THR 106 - HB2 PRO 86 5.556% * 0.0049% (0.04 1.0 1.00 0.02 0.02) = 0.005% Peak 3939 (4.45, 1.97, 31.80 ppm): 24 chemical-shift based assignments, quality = 0.185, support = 0.884, residual support = 0.67: HA ILE 100 - HB2 PRO 86 4.167% * 19.5143% (0.07 1.29 1.16) = 19.514% kept HA GLN 102 - HB2 PRO 86 4.167% * 19.5143% (0.07 1.29 1.16) = 19.514% kept HA LYS+ 32 - HB VAL 73 4.167% * 13.2628% (0.15 0.40 0.02) = 13.263% kept HA MET 126 - HB2 PRO 86 4.167% * 10.9515% (0.04 1.17 0.68) = 10.951% kept HA LYS+ 32 - HB2 PRO 86 4.167% * 10.0587% (0.02 1.93 1.25) = 10.059% kept HA MET 118 - HB VAL 73 4.167% * 4.2792% (0.97 0.02 0.02) = 4.279% kept HA GLU- 50 - HB VAL 73 4.167% * 4.0479% (0.92 0.02 0.02) = 4.048% kept HB THR 24 - HB VAL 73 4.167% * 2.0829% (0.47 0.02 0.02) = 2.083% kept HA LYS+ 111 - HB VAL 73 4.167% * 1.9185% (0.44 0.02 0.02) = 1.918% kept HA GLN 102 - HB VAL 73 4.167% * 1.9185% (0.44 0.02 0.02) = 1.918% kept HA ILE 100 - HB VAL 73 4.167% * 1.9185% (0.44 0.02 0.02) = 1.918% kept HA MET 118 - HB2 GLU- 75 4.167% * 1.7581% (0.40 0.02 0.02) = 1.758% kept HA GLU- 50 - HB2 GLU- 75 4.167% * 1.6631% (0.38 0.02 0.72) = 1.663% kept HA MET 126 - HB VAL 73 4.167% * 1.1898% (0.27 0.02 0.02) = 1.190% kept HB THR 24 - HB2 GLU- 75 4.167% * 0.8558% (0.19 0.02 0.02) = 0.856% HA LYS+ 111 - HB2 GLU- 75 4.167% * 0.7882% (0.18 0.02 0.02) = 0.788% HA GLN 102 - HB2 GLU- 75 4.167% * 0.7882% (0.18 0.02 0.55) = 0.788% HA ILE 100 - HB2 GLU- 75 4.167% * 0.7882% (0.18 0.02 0.02) = 0.788% HA MET 118 - HB2 PRO 86 4.167% * 0.6739% (0.15 0.02 0.02) = 0.674% HA GLU- 50 - HB2 PRO 86 4.167% * 0.6374% (0.15 0.02 0.02) = 0.637% HA MET 126 - HB2 GLU- 75 4.167% * 0.4888% (0.11 0.02 0.02) = 0.489% HB THR 24 - HB2 PRO 86 4.167% * 0.3280% (0.07 0.02 0.02) = 0.328% HA LYS+ 111 - HB2 PRO 86 4.167% * 0.3021% (0.07 0.02 0.02) = 0.302% HA LYS+ 32 - HB2 GLU- 75 4.167% * 0.2713% (0.06 0.02 0.02) = 0.271% Not enough quality. Peak unassigned. Peak 3940 (0.48, 0.48, 25.61 ppm): 2 diagonal assignments: * QD2 LEU 43 - QD2 LEU 43 (0.46) kept QD2 LEU 74 - QD2 LEU 74 (0.25) kept Peak 3941 (1.63, 1.62, 25.80 ppm): 1 diagonal assignment: * HG LEU 43 - HG LEU 43 (0.72) kept Peak 3943 (7.05, 0.48, 25.65 ppm): 4 chemical-shift based assignments, quality = 0.324, support = 1.23, residual support = 5.47: * QE PHE 21 - QD2 LEU 43 25.000% * 48.2623% (0.28 1.91 9.69) = 48.262% kept QD TYR 83 - QD2 LEU 74 25.000% * 27.2926% (0.40 0.75 2.78) = 27.293% kept QD TYR 83 - QD2 LEU 43 25.000% * 16.0937% (0.35 0.51 0.11) = 16.094% kept QE PHE 21 - QD2 LEU 74 25.000% * 8.3515% (0.31 0.29 0.17) = 8.351% kept Peak 3944 (6.87, 0.48, 25.65 ppm): 8 chemical-shift based assignments, quality = 0.277, support = 1.87, residual support = 5.95: QD PHE 21 - QD2 LEU 43 12.500% * 41.0482% (0.29 2.68 9.69) = 41.048% kept HD21 ASN 119 - QD2 LEU 43 12.500% * 28.6223% (0.34 1.58 1.98) = 28.622% kept * HZ PHE 21 - QD2 LEU 43 12.500% * 14.2634% (0.16 1.66 9.69) = 14.263% kept QD PHE 21 - QD2 LEU 74 12.500% * 6.9025% (0.33 0.39 0.17) = 6.903% kept HZ PHE 21 - QD2 LEU 74 12.500% * 6.7072% (0.18 0.68 0.17) = 6.707% kept HD22 ASN 15 - QD2 LEU 43 12.500% * 1.8783% (0.14 0.26 0.02) = 1.878% kept HD21 ASN 119 - QD2 LEU 74 12.500% * 0.4139% (0.39 0.02 0.02) = 0.414% HD22 ASN 15 - QD2 LEU 74 12.500% * 0.1642% (0.15 0.02 0.02) = 0.164% Peak 3945 (-0.10, 0.48, 25.61 ppm): 2 chemical-shift based assignments, quality = 0.45, support = 4.05, residual support = 108.4: * O T QD1 LEU 43 - QD2 LEU 43 50.000% * 59.9558% (0.43 10.0 10.00 5.96 179.96) = 59.956% kept T QD1 LEU 43 - QD2 LEU 74 50.000% * 40.0442% (0.48 1.0 10.00 1.18 1.31) = 40.044% kept Peak 3946 (4.53, 1.10, 22.36 ppm): 5 chemical-shift based assignments, quality = 0.162, support = 3.24, residual support = 27.3: * O HB THR 79 - QG2 THR 79 20.000% * 98.2519% (0.16 10.0 3.30 27.82) = 98.252% kept HA ALA 103 - QG2 THR 79 20.000% * 1.1832% (0.42 1.0 0.09 0.02) = 1.183% kept HB THR 46 - QG2 THR 79 20.000% * 0.2761% (0.45 1.0 0.02 0.02) = 0.276% HA LYS+ 55 - QG2 THR 79 20.000% * 0.1802% (0.29 1.0 0.02 0.02) = 0.180% HA LEU 17 - QG2 THR 79 20.000% * 0.1086% (0.18 1.0 0.02 0.02) = 0.109% Peak 3947 (5.36, 1.10, 22.36 ppm): 1 chemical-shift based assignment, quality = 0.479, support = 3.43, residual support = 27.8: * O T HA THR 79 - QG2 THR 79 100.000% *100.0000% (0.48 10.0 10.00 3.43 27.82) = 100.000% kept Peak 3948 (1.10, 1.10, 22.36 ppm): 1 diagonal assignment: * QG2 THR 79 - QG2 THR 79 (0.52) kept Peak 3949 (9.31, 1.73, 41.57 ppm): 2 chemical-shift based assignments, quality = 0.381, support = 5.53, residual support = 87.9: * O HN LEU 23 - HB3 LEU 23 50.000% * 69.4591% (0.27 10.0 6.32 120.22) = 69.459% kept HN ILE 29 - HB3 LEU 23 50.000% * 30.5409% (0.63 1.0 3.74 14.54) = 30.541% kept Peak 3950 (1.93, 1.93, 41.56 ppm): 2 diagonal assignments: * HB2 LEU 23 - HB2 LEU 23 (0.85) kept HB ILE 29 - HB ILE 29 (0.36) kept Peak 3951 (2.65, 2.65, 41.23 ppm): 2 diagonal assignments: * HB3 ASP- 82 - HB3 ASP- 82 (0.98) kept HB3 ASP- 36 - HB3 ASP- 36 (0.25) kept Peak 3952 (3.70, 3.54, 65.47 ppm): 3 chemical-shift based assignments, quality = 0.704, support = 1.95, residual support = 20.4: * O T HB3 SER 69 - HB2 SER 69 33.333% * 95.8847% (0.70 10.0 10.00 2.00 21.26) = 95.885% kept HA LYS+ 81 - HB2 SER 69 33.333% * 4.0093% (0.78 1.0 1.00 0.75 0.43) = 4.009% kept HB2 TRP 51 - HB2 SER 69 33.333% * 0.1060% (0.78 1.0 1.00 0.02 0.02) = 0.106% Peak 3953 (0.46, -0.04, 22.27 ppm): 2 chemical-shift based assignments, quality = 0.875, support = 5.48, residual support = 157.1: * O QD2 LEU 74 - QD1 LEU 74 50.000% * 98.7594% (0.88 10.0 5.54 159.05) = 98.759% kept QD2 LEU 43 - QD1 LEU 74 50.000% * 1.2406% (0.64 1.0 0.35 1.31) = 1.241% kept Peak 3954 (0.73, -0.04, 22.27 ppm): 10 chemical-shift based assignments, quality = 0.807, support = 4.48, residual support = 114.2: * O HG LEU 74 - QD1 LEU 74 10.000% * 70.9238% (0.81 10.0 5.46 159.05) = 70.924% kept QG1 VAL 40 - QD1 LEU 74 10.000% * 10.6699% (0.91 1.0 2.66 11.48) = 10.670% kept QD1 ILE 68 - QD1 LEU 74 10.000% * 10.1450% (0.90 1.0 2.57 1.08) = 10.145% kept HG3 LYS+ 66 - QD1 LEU 74 10.000% * 3.6438% (0.64 1.0 1.30 0.16) = 3.644% kept HG3 LYS+ 44 - QD1 LEU 74 10.000% * 2.3814% (0.64 1.0 0.85 0.61) = 2.381% kept QG2 VAL 65 - QD1 LEU 74 10.000% * 1.0825% (0.86 1.0 0.29 0.02) = 1.082% kept QG2 ILE 101 - QD1 LEU 74 10.000% * 0.8482% (0.57 1.0 0.34 0.02) = 0.848% QG2 ILE 48 - QD1 LEU 74 10.000% * 0.2564% (0.66 1.0 0.09 0.02) = 0.256% QG2 THR 96 - QD1 LEU 74 10.000% * 0.0307% (0.35 1.0 0.02 0.02) = 0.031% QG1 VAL 65 - QD1 LEU 74 10.000% * 0.0182% (0.21 1.0 0.02 0.02) = 0.018% Peak 3955 (1.28, 1.28, 41.97 ppm): 1 diagonal assignment: * HB3 LEU 74 - HB3 LEU 74 (0.64) kept Peak 3956 (0.91, 1.28, 41.97 ppm): 13 chemical-shift based assignments, quality = 0.662, support = 1.89, residual support = 9.46: QD1 LEU 67 - HB3 LEU 74 7.692% * 36.7698% (0.73 2.71 17.19) = 36.770% kept QG2 VAL 40 - HB3 LEU 74 7.692% * 24.8043% (0.63 2.11 11.48) = 24.804% kept HG3 LYS+ 117 - HB3 LEU 74 7.692% * 17.1797% (0.76 1.21 1.02) = 17.180% kept QG1 VAL 47 - HB3 LEU 74 7.692% * 9.1627% (0.68 0.72 0.36) = 9.163% kept HG12 ILE 68 - HB3 LEU 74 7.692% * 7.8284% (0.42 1.01 1.08) = 7.828% kept QG1 VAL 80 - HB3 LEU 74 7.692% * 3.1997% (0.35 0.49 0.02) = 3.200% kept QG2 VAL 87 - HB3 LEU 74 7.692% * 0.2351% (0.63 0.02 0.02) = 0.235% QG2 VAL 80 - HB3 LEU 74 7.692% * 0.2132% (0.57 0.02 0.02) = 0.213% QG2 VAL 125 - HB3 LEU 74 7.692% * 0.2089% (0.14 0.08 0.02) = 0.209% HG3 LYS+ 110 - HB3 LEU 74 7.692% * 0.1781% (0.48 0.02 0.02) = 0.178% QG2 VAL 105 - HB3 LEU 74 7.692% * 0.0816% (0.22 0.02 0.02) = 0.082% QD1 LEU 17 - HB3 LEU 74 7.692% * 0.0732% (0.20 0.02 0.02) = 0.073% QG1 VAL 105 - HB3 LEU 74 7.692% * 0.0654% (0.18 0.02 0.02) = 0.065% Peak 3957 (3.94, 1.28, 41.97 ppm): 3 chemical-shift based assignments, quality = 0.761, support = 5.41, residual support = 158.8: * O HA LEU 74 - HB3 LEU 74 33.333% * 99.8445% (0.76 10.0 5.42 159.05) = 99.844% kept HA1 GLY 114 - HB3 LEU 74 33.333% * 0.0928% (0.71 1.0 0.02 0.02) = 0.093% HB THR 96 - HB3 LEU 74 33.333% * 0.0628% (0.48 1.0 0.02 0.02) = 0.063% Peak 3958 (3.95, 1.17, 41.87 ppm): 6 chemical-shift based assignments, quality = 0.935, support = 5.92, residual support = 157.0: * O T HA LEU 74 - HB2 LEU 74 16.667% * 98.7275% (0.95 10.0 10.00 6.00 159.05) = 98.728% kept T HA LEU 74 - HB2 LEU 43 16.667% * 0.9975% (0.96 1.0 10.00 0.02 1.31) = 0.998% HA1 GLY 114 - HB2 LEU 43 16.667% * 0.1004% (0.96 1.0 1.00 0.02 0.02) = 0.100% HA1 GLY 114 - HB2 LEU 74 16.667% * 0.0994% (0.95 1.0 1.00 0.02 0.02) = 0.099% HB THR 96 - HB2 LEU 43 16.667% * 0.0378% (0.36 1.0 1.00 0.02 0.02) = 0.038% HB THR 96 - HB2 LEU 74 16.667% * 0.0374% (0.36 1.0 1.00 0.02 0.02) = 0.037% Peak 3959 (8.46, 1.28, 41.97 ppm): 7 chemical-shift based assignments, quality = 0.59, support = 4.74, residual support = 139.0: * O HN LEU 74 - HB3 LEU 74 14.286% * 87.3649% (0.57 10.0 5.29 159.05) = 87.365% kept HN GLU- 107 - HB3 LEU 74 14.286% * 6.8194% (0.78 1.0 1.14 0.72) = 6.819% kept HN GLY 92 - HB3 LEU 74 14.286% * 4.5306% (0.68 1.0 0.87 0.25) = 4.531% kept HN LYS+ 113 - HB3 LEU 74 14.286% * 1.1893% (0.42 1.0 0.38 0.02) = 1.189% kept HN GLU- 18 - HB3 LEU 74 14.286% * 0.0495% (0.32 1.0 0.02 0.02) = 0.049% HN GLU- 10 - HB3 LEU 74 14.286% * 0.0300% (0.20 1.0 0.02 0.02) = 0.030% HN ARG+ 53 - HB3 LEU 74 14.286% * 0.0163% (0.11 1.0 0.02 0.02) = 0.016% Peak 3960 (8.46, 1.17, 41.87 ppm): 14 chemical-shift based assignments, quality = 0.711, support = 5.04, residual support = 138.4: * O HN LEU 74 - HB2 LEU 74 7.143% * 86.9519% (0.69 10.0 5.66 159.05) = 86.952% kept HN GLU- 107 - HB2 LEU 74 7.143% * 6.7872% (0.95 1.0 1.14 0.72) = 6.787% kept HN GLY 92 - HB2 LEU 74 7.143% * 4.5092% (0.83 1.0 0.87 0.25) = 4.509% kept HN LYS+ 113 - HB2 LEU 74 7.143% * 1.1837% (0.50 1.0 0.38 0.02) = 1.184% kept HN GLU- 107 - HB2 LEU 43 7.143% * 0.1199% (0.96 1.0 0.02 0.02) = 0.120% HN GLY 92 - HB2 LEU 43 7.143% * 0.1049% (0.84 1.0 0.02 0.02) = 0.105% HN LEU 74 - HB2 LEU 43 7.143% * 0.0879% (0.70 1.0 0.02 1.31) = 0.088% HN LYS+ 113 - HB2 LEU 43 7.143% * 0.0637% (0.51 1.0 0.02 0.02) = 0.064% HN GLU- 18 - HB2 LEU 43 7.143% * 0.0497% (0.40 1.0 0.02 0.02) = 0.050% HN GLU- 18 - HB2 LEU 74 7.143% * 0.0492% (0.39 1.0 0.02 0.02) = 0.049% HN GLU- 10 - HB2 LEU 43 7.143% * 0.0302% (0.24 1.0 0.02 0.02) = 0.030% HN GLU- 10 - HB2 LEU 74 7.143% * 0.0299% (0.24 1.0 0.02 0.02) = 0.030% HN ARG+ 53 - HB2 LEU 43 7.143% * 0.0164% (0.13 1.0 0.02 0.02) = 0.016% HN ARG+ 53 - HB2 LEU 74 7.143% * 0.0162% (0.13 1.0 0.02 0.02) = 0.016% Peak 3961 (1.45, 1.28, 41.97 ppm): 14 chemical-shift based assignments, quality = 0.569, support = 1.22, residual support = 9.94: HB3 LEU 67 - HB3 LEU 74 7.143% * 56.0158% (0.51 1.97 17.19) = 56.016% kept HG3 LYS+ 60 - HB3 LEU 74 7.143% * 14.9626% (0.79 0.34 1.30) = 14.963% kept HG13 ILE 48 - HB3 LEU 74 7.143% * 11.3177% (0.73 0.28 0.02) = 11.318% kept HG3 PRO 52 - HB3 LEU 74 7.143% * 8.4627% (0.57 0.27 0.48) = 8.463% kept HG2 PRO 59 - HB3 LEU 74 7.143% * 3.8150% (0.79 0.09 1.54) = 3.815% kept QB ALA 70 - HB3 LEU 74 7.143% * 2.4040% (0.12 0.35 0.33) = 2.404% kept HB3 LYS+ 44 - HB3 LEU 74 7.143% * 1.0631% (0.14 0.14 0.61) = 1.063% kept HG LEU 90 - HB3 LEU 74 7.143% * 0.5330% (0.48 0.02 0.11) = 0.533% HG3 LYS+ 113 - HB3 LEU 74 7.143% * 0.3298% (0.30 0.02 0.02) = 0.330% HG3 LYS+ 55 - HB3 LEU 74 7.143% * 0.2712% (0.24 0.02 0.02) = 0.271% HG3 ARG+ 22 - HB3 LEU 74 7.143% * 0.2712% (0.24 0.02 0.02) = 0.271% HD3 LYS+ 113 - HB3 LEU 74 7.143% * 0.2443% (0.22 0.02 0.02) = 0.244% QG2 THR 38 - HB3 LEU 74 7.143% * 0.1739% (0.16 0.02 0.02) = 0.174% QB ALA 91 - HB3 LEU 74 7.143% * 0.1356% (0.12 0.02 0.02) = 0.136% Peak 3962 (0.91, 0.91, 25.91 ppm): 1 diagonal assignment: * QD1 LEU 67 - QD1 LEU 67 (0.83) kept Peak 3963 (0.91, 1.47, 46.84 ppm): 13 chemical-shift based assignments, quality = 0.763, support = 5.35, residual support = 104.9: * O QD1 LEU 67 - HB3 LEU 67 7.692% * 88.6616% (0.80 10.0 5.64 115.02) = 88.662% kept HG12 ILE 68 - HB3 LEU 67 7.692% * 8.3538% (0.37 1.0 4.06 34.91) = 8.354% kept QG1 VAL 47 - HB3 LEU 67 7.692% * 2.5029% (0.77 1.0 0.59 0.46) = 2.503% kept HG3 LYS+ 117 - HB3 LEU 67 7.692% * 0.0911% (0.83 1.0 0.02 0.02) = 0.091% QG2 VAL 87 - HB3 LEU 67 7.692% * 0.0797% (0.72 1.0 0.02 0.02) = 0.080% QG2 VAL 40 - HB3 LEU 67 7.692% * 0.0797% (0.72 1.0 0.02 0.02) = 0.080% QG2 VAL 80 - HB3 LEU 67 7.692% * 0.0594% (0.54 1.0 0.02 0.02) = 0.059% HG3 LYS+ 110 - HB3 LEU 67 7.692% * 0.0483% (0.44 1.0 0.02 0.02) = 0.048% QG1 VAL 80 - HB3 LEU 67 7.692% * 0.0483% (0.44 1.0 0.02 0.02) = 0.048% QG2 VAL 125 - HB3 LEU 67 7.692% * 0.0205% (0.19 1.0 0.02 0.02) = 0.020% QG2 VAL 105 - HB3 LEU 67 7.692% * 0.0205% (0.19 1.0 0.02 0.02) = 0.020% QD1 LEU 17 - HB3 LEU 67 7.692% * 0.0182% (0.16 1.0 0.02 0.02) = 0.018% QG1 VAL 105 - HB3 LEU 67 7.692% * 0.0161% (0.15 1.0 0.02 0.02) = 0.016% Peak 3964 (1.87, 1.87, 34.09 ppm): 2 diagonal assignments: HB VAL 94 - HB VAL 94 (0.57) kept * HB3 LYS+ 72 - HB3 LYS+ 72 (0.29) kept Peak 3966 (7.20, 1.28, 27.59 ppm): 2 chemical-shift based assignments, quality = 0.897, support = 1.07, residual support = 3.22: HH2 TRP 51 - HG13 ILE 101 50.000% * 62.7894% (0.98 1.17 3.22) = 62.789% kept HN TRP 51 - HG13 ILE 101 50.000% * 37.2106% (0.75 0.91 3.22) = 37.211% kept Peak 3967 (8.75, 1.28, 27.59 ppm): 4 chemical-shift based assignments, quality = 0.703, support = 4.05, residual support = 79.6: * HN ILE 101 - HG13 ILE 101 25.000% * 61.5189% (0.68 5.87 128.96) = 61.519% kept HN PHE 34 - HG13 ILE 101 25.000% * 13.5927% (0.72 1.23 0.41) = 13.593% kept HN GLU- 56 - HG13 ILE 101 25.000% * 12.4650% (0.64 1.26 1.14) = 12.465% kept HN VAL 62 - HG13 ILE 101 25.000% * 12.4233% (0.88 0.91 0.80) = 12.423% kept Peak 3968 (8.75, 1.63, 27.60 ppm): 8 chemical-shift based assignments, quality = 0.663, support = 4.14, residual support = 84.2: * HN ILE 101 - HG12 ILE 101 12.500% * 65.0506% (0.65 5.87 128.96) = 65.051% kept HN GLU- 56 - HG12 ILE 101 12.500% * 13.4336% (0.61 1.29 1.14) = 13.434% kept HN VAL 62 - HG12 ILE 101 12.500% * 12.0524% (0.85 0.83 0.80) = 12.052% kept HN PHE 34 - HG12 ILE 101 12.500% * 7.4834% (0.69 0.64 0.41) = 7.483% kept HN PHE 34 - HG3 ARG+ 84 12.500% * 1.6582% (0.31 0.32 2.40) = 1.658% kept HN VAL 62 - HG3 ARG+ 84 12.500% * 0.1294% (0.38 0.02 0.02) = 0.129% HN ILE 101 - HG3 ARG+ 84 12.500% * 0.0991% (0.29 0.02 0.02) = 0.099% HN GLU- 56 - HG3 ARG+ 84 12.500% * 0.0933% (0.27 0.02 0.02) = 0.093% Peak 3969 (1.63, 1.63, 27.60 ppm): 1 diagonal assignment: * HG12 ILE 101 - HG12 ILE 101 (0.94) kept Peak 3970 (1.28, 1.28, 27.62 ppm): 1 diagonal assignment: * HG13 ILE 101 - HG13 ILE 101 (0.94) kept Peak 3972 (2.04, 1.63, 27.60 ppm): 26 chemical-shift based assignments, quality = 0.833, support = 0.705, residual support = 0.725: T HB3 LYS+ 110 - HG12 ILE 101 3.846% * 77.7306% (0.91 10.00 0.73 0.77) = 77.731% kept HB3 GLU- 75 - HG12 ILE 101 3.846% * 7.9273% (0.60 1.00 1.13 1.35) = 7.927% kept HG3 PRO 86 - HG12 ILE 101 3.846% * 5.7355% (0.87 1.00 0.56 0.11) = 5.736% kept HG3 GLU- 64 - HG12 ILE 101 3.846% * 2.2059% (0.69 1.00 0.27 0.02) = 2.206% kept HB3 GLU- 64 - HG12 ILE 101 3.846% * 1.8260% (0.53 1.00 0.29 0.02) = 1.826% kept HB VAL 62 - HG12 ILE 101 3.846% * 1.2504% (0.17 1.00 0.64 0.80) = 1.250% kept T HB3 LYS+ 110 - HG3 ARG+ 84 3.846% * 0.9576% (0.41 10.00 0.02 0.02) = 0.958% HG2 PRO 112 - HG12 ILE 101 3.846% * 0.6569% (0.62 1.00 0.09 0.02) = 0.657% HG2 PRO 112 - HG3 ARG+ 84 3.846% * 0.3942% (0.28 1.00 0.12 0.02) = 0.394% HB2 GLU- 45 - HG12 ILE 101 3.846% * 0.1854% (0.79 1.00 0.02 0.02) = 0.185% HB3 GLU- 54 - HG12 ILE 101 3.846% * 0.1525% (0.65 1.00 0.02 0.02) = 0.152% HB3 GLU- 10 - HG12 ILE 101 3.846% * 0.1257% (0.53 1.00 0.02 0.02) = 0.126% HB3 PRO 31 - HG12 ILE 101 3.846% * 0.1080% (0.46 1.00 0.02 0.35) = 0.108% HG3 PRO 86 - HG3 ARG+ 84 3.846% * 0.0916% (0.39 1.00 0.02 0.02) = 0.092% HB2 GLU- 45 - HG3 ARG+ 84 3.846% * 0.0829% (0.35 1.00 0.02 0.02) = 0.083% HG3 GLU- 64 - HG3 ARG+ 84 3.846% * 0.0721% (0.31 1.00 0.02 0.02) = 0.072% HB3 GLU- 107 - HG12 ILE 101 3.846% * 0.0685% (0.29 1.00 0.02 0.02) = 0.069% HB3 GLU- 54 - HG3 ARG+ 84 3.846% * 0.0682% (0.29 1.00 0.02 0.02) = 0.068% HB3 GLU- 75 - HG3 ARG+ 84 3.846% * 0.0628% (0.27 1.00 0.02 0.02) = 0.063% HG2 PRO 116 - HG12 ILE 101 3.846% * 0.0617% (0.26 1.00 0.02 0.02) = 0.062% HB3 GLU- 64 - HG3 ARG+ 84 3.846% * 0.0562% (0.24 1.00 0.02 0.02) = 0.056% HB3 GLU- 10 - HG3 ARG+ 84 3.846% * 0.0562% (0.24 1.00 0.02 0.02) = 0.056% HB3 PRO 31 - HG3 ARG+ 84 3.846% * 0.0483% (0.21 1.00 0.02 0.02) = 0.048% HB3 GLU- 107 - HG3 ARG+ 84 3.846% * 0.0306% (0.13 1.00 0.02 0.02) = 0.031% HG2 PRO 116 - HG3 ARG+ 84 3.846% * 0.0276% (0.12 1.00 0.02 0.02) = 0.028% HB VAL 62 - HG3 ARG+ 84 3.846% * 0.0174% (0.07 1.00 0.02 0.02) = 0.017% Reference assignment not found: HB ILE 101 - HG12 ILE 101 Peak 3973 (0.71, 0.71, 17.86 ppm): 2 diagonal assignments: * QG2 ILE 101 - QG2 ILE 101 (0.82) kept QG2 ILE 68 - QG2 ILE 68 (0.08) kept Peak 3974 (2.04, 1.28, 27.62 ppm): 13 chemical-shift based assignments, quality = 0.754, support = 0.739, residual support = 0.606: HB3 GLU- 75 - HG13 ILE 101 7.692% * 29.1312% (0.63 1.32 1.35) = 29.131% kept HG3 PRO 86 - HG13 ILE 101 7.692% * 21.8093% (0.92 0.68 0.11) = 21.809% kept HB3 LYS+ 110 - HG13 ILE 101 7.692% * 19.7080% (0.96 0.59 0.77) = 19.708% kept HB2 GLU- 45 - HG13 ILE 101 7.692% * 8.9957% (0.83 0.31 0.02) = 8.996% kept HG3 GLU- 64 - HG13 ILE 101 7.692% * 7.3518% (0.73 0.29 0.02) = 7.352% kept HB3 GLU- 64 - HG13 ILE 101 7.692% * 5.3987% (0.57 0.27 0.02) = 5.399% kept HB VAL 62 - HG13 ILE 101 7.692% * 3.9220% (0.17 0.64 0.80) = 3.922% kept HG2 PRO 112 - HG13 ILE 101 7.692% * 2.0621% (0.66 0.09 0.02) = 2.062% kept HB3 GLU- 54 - HG13 ILE 101 7.692% * 0.4786% (0.69 0.02 0.02) = 0.479% HB3 GLU- 10 - HG13 ILE 101 7.692% * 0.3945% (0.57 0.02 0.02) = 0.394% HB3 PRO 31 - HG13 ILE 101 7.692% * 0.3391% (0.49 0.02 0.35) = 0.339% HB3 GLU- 107 - HG13 ILE 101 7.692% * 0.2150% (0.31 0.02 0.02) = 0.215% HG2 PRO 116 - HG13 ILE 101 7.692% * 0.1937% (0.28 0.02 0.02) = 0.194% Reference assignment not found: HB ILE 101 - HG13 ILE 101 Peak 3975 (8.75, 0.71, 17.81 ppm): 8 chemical-shift based assignments, quality = 0.614, support = 4.73, residual support = 77.7: * HN ILE 101 - QG2 ILE 101 12.500% * 60.0483% (0.60 7.02 128.96) = 60.048% kept HN VAL 62 - QG2 ILE 101 12.500% * 15.1596% (0.78 1.36 0.80) = 15.160% kept HN GLU- 56 - QG2 ILE 101 12.500% * 12.5371% (0.56 1.56 1.14) = 12.537% kept HN PHE 34 - QG2 ILE 101 12.500% * 9.3006% (0.63 1.03 0.41) = 9.301% kept HN PHE 34 - QG2 ILE 68 12.500% * 2.7116% (0.28 0.69 0.15) = 2.712% kept HN VAL 62 - QG2 ILE 68 12.500% * 0.0977% (0.34 0.02 0.02) = 0.098% HN ILE 101 - QG2 ILE 68 12.500% * 0.0748% (0.26 0.02 0.10) = 0.075% HN GLU- 56 - QG2 ILE 68 12.500% * 0.0704% (0.25 0.02 0.02) = 0.070% Peak 3977 (3.58, 3.58, 50.95 ppm): 2 diagonal assignments: * HD2 PRO 31 - HD2 PRO 31 (0.93) kept HD2 PRO 104 - HD2 PRO 104 (0.19) kept Peak 3978 (3.47, 1.77, 25.40 ppm): 10 chemical-shift based assignments, quality = 0.522, support = 3.27, residual support = 31.3: * O T HD3 PRO 31 - HG2 PRO 31 10.000% * 87.5111% (0.56 10.0 10.00 3.11 34.96) = 87.511% kept HA1 GLY 30 - HG2 PRO 31 10.000% * 11.0974% (0.29 1.0 1.00 4.94 5.90) = 11.097% kept T HD3 PRO 31 - HG3 LYS+ 63 10.000% * 0.9260% (0.59 1.0 10.00 0.02 0.02) = 0.926% HA1 GLY 71 - HG3 LYS+ 63 10.000% * 0.1068% (0.68 1.0 1.00 0.02 0.02) = 0.107% HA1 GLY 71 - HG2 PRO 31 10.000% * 0.1009% (0.65 1.0 1.00 0.02 0.02) = 0.101% HA VAL 80 - HG3 LYS+ 63 10.000% * 0.0563% (0.36 1.0 1.00 0.02 0.02) = 0.056% HA VAL 80 - HG2 PRO 31 10.000% * 0.0532% (0.34 1.0 1.00 0.02 0.02) = 0.053% HA VAL 40 - HG3 LYS+ 63 10.000% * 0.0518% (0.33 1.0 1.00 0.02 0.02) = 0.052% HA VAL 40 - HG2 PRO 31 10.000% * 0.0490% (0.31 1.0 1.00 0.02 0.02) = 0.049% HA1 GLY 30 - HG3 LYS+ 63 10.000% * 0.0475% (0.30 1.0 1.00 0.02 0.02) = 0.048% Peak 3979 (3.58, 1.77, 25.40 ppm): 4 chemical-shift based assignments, quality = 0.629, support = 2.72, residual support = 33.8: * O T HD2 PRO 31 - HG2 PRO 31 25.000% * 96.7746% (0.63 10.0 10.00 2.81 34.96) = 96.775% kept T HD2 PRO 104 - HG3 LYS+ 63 25.000% * 1.1318% (0.73 1.0 10.00 0.02 0.02) = 1.132% kept T HD2 PRO 104 - HG2 PRO 31 25.000% * 1.0695% (0.69 1.0 10.00 0.02 0.02) = 1.070% kept T HD2 PRO 31 - HG3 LYS+ 63 25.000% * 1.0241% (0.66 1.0 10.00 0.02 0.02) = 1.024% kept Peak 3980 (3.48, 1.94, 25.37 ppm): 5 chemical-shift based assignments, quality = 0.562, support = 3.51, residual support = 28.5: * O T HD3 PRO 31 - HG3 PRO 31 20.000% * 77.8551% (0.55 10.0 10.00 3.11 34.96) = 77.855% kept HA1 GLY 30 - HG3 PRO 31 20.000% * 21.9725% (0.62 1.0 1.00 4.94 5.90) = 21.973% kept HA1 GLY 71 - HG3 PRO 31 20.000% * 0.0999% (0.70 1.0 1.00 0.02 0.02) = 0.100% HA VAL 80 - HG3 PRO 31 20.000% * 0.0382% (0.27 1.0 1.00 0.02 0.02) = 0.038% HA VAL 40 - HG3 PRO 31 20.000% * 0.0343% (0.24 1.0 1.00 0.02 0.02) = 0.034% Peak 3981 (3.58, 1.94, 25.37 ppm): 2 chemical-shift based assignments, quality = 0.865, support = 2.78, residual support = 34.6: * O T HD2 PRO 31 - HG3 PRO 31 50.000% * 98.9069% (0.86 10.0 10.00 2.81 34.96) = 98.907% kept T HD2 PRO 104 - HG3 PRO 31 50.000% * 1.0931% (0.96 1.0 10.00 0.02 0.02) = 1.093% kept Peak 3982 (3.61, 3.61, 50.61 ppm): 2 diagonal assignments: HD2 PRO 112 - HD2 PRO 112 (0.24) kept * HD2 PRO 104 - HD2 PRO 104 (0.08) kept Peak 3983 (8.46, 3.94, 56.35 ppm): 7 chemical-shift based assignments, quality = 0.712, support = 5.24, residual support = 133.9: * O HN LEU 74 - HA LEU 74 14.286% * 84.1307% (0.69 10.0 6.01 159.05) = 84.131% kept HN GLU- 107 - HA LEU 74 14.286% * 8.0385% (0.94 1.0 1.40 0.72) = 8.039% kept HN GLY 92 - HA LEU 74 14.286% * 5.5187% (0.82 1.0 1.10 0.25) = 5.519% kept HN LYS+ 113 - HA LEU 74 14.286% * 2.2198% (0.50 1.0 0.73 0.02) = 2.220% kept HN GLU- 18 - HA LEU 74 14.286% * 0.0476% (0.39 1.0 0.02 0.02) = 0.048% HN GLU- 10 - HA LEU 74 14.286% * 0.0289% (0.24 1.0 0.02 0.02) = 0.029% HN ARG+ 53 - HA LEU 74 14.286% * 0.0157% (0.13 1.0 0.02 0.02) = 0.016% Peak 3985 (0.45, 3.93, 56.31 ppm): 2 chemical-shift based assignments, quality = 0.779, support = 5.56, residual support = 158.6: * T QD2 LEU 74 - HA LEU 74 50.000% * 99.7440% (0.78 10.00 5.58 159.05) = 99.744% kept T QD2 LEU 43 - HA LEU 74 50.000% * 0.2560% (0.20 10.00 0.02 1.31) = 0.256% Peak 3986 (-0.04, 3.93, 56.31 ppm): 1 chemical-shift based assignment, quality = 0.831, support = 6.2, residual support = 159.0: * T QD1 LEU 74 - HA LEU 74 100.000% *100.0000% (0.83 10.00 6.20 159.05) = 100.000% kept Peak 3988 (9.01, 1.57, 26.98 ppm): 2 chemical-shift based assignments, quality = 0.406, support = 2.49, residual support = 2.31: HN GLY 30 - HG LEU 17 50.000% * 92.2564% (0.41 2.68 2.51) = 92.256% kept HN THR 79 - HG LEU 17 50.000% * 7.7436% (0.34 0.27 0.02) = 7.744% kept Reference assignment not found: HN GLY 30 - HG12 ILE 29 Peak 3989 (1.93, 0.99, 26.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HB ILE 29 - HG13 ILE 29 Peak unassigned. Peak 3990 (1.56, 0.99, 26.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HG12 ILE 29 - HG13 ILE 29 Peak unassigned. Peak 3991 (1.93, 1.57, 27.07 ppm): 14 chemical-shift based assignments, quality = 0.661, support = 1.19, residual support = 5.4: T HB2 GLU- 75 - HG LEU 17 7.143% * 58.9895% (0.55 10.00 0.75 0.25) = 58.990% kept HB ILE 29 - HG LEU 17 7.143% * 30.6184% (0.90 1.00 2.38 17.13) = 30.618% kept HB2 LEU 23 - HG LEU 17 7.143% * 4.1628% (0.81 1.00 0.36 0.13) = 4.163% kept T HB2 PRO 116 - HG LEU 17 7.143% * 2.3260% (0.81 10.00 0.02 0.02) = 2.326% kept HG3 PRO 31 - HG LEU 17 7.143% * 1.0711% (0.34 1.00 0.22 0.11) = 1.071% kept T HB3 LYS+ 55 - HG LEU 17 7.143% * 1.0662% (0.37 10.00 0.02 0.02) = 1.066% kept T HB2 PRO 35 - HG LEU 17 7.143% * 0.5133% (0.18 10.00 0.02 0.02) = 0.513% HG2 PRO 112 - HG LEU 17 7.143% * 0.4976% (0.31 1.00 0.11 0.02) = 0.498% HB2 GLU- 10 - HG LEU 17 7.143% * 0.2326% (0.81 1.00 0.02 0.02) = 0.233% HD3 LYS+ 63 - HG LEU 17 7.143% * 0.1678% (0.59 1.00 0.02 0.02) = 0.168% HB2 PRO 112 - HG LEU 17 7.143% * 0.1408% (0.49 1.00 0.02 0.02) = 0.141% HB3 GLN 102 - HG LEU 17 7.143% * 0.1163% (0.41 1.00 0.02 0.02) = 0.116% HB3 ARG+ 53 - HG LEU 17 7.143% * 0.0577% (0.20 1.00 0.02 0.02) = 0.058% HG3 PRO 116 - HG LEU 17 7.143% * 0.0400% (0.14 1.00 0.02 0.02) = 0.040% Peak 3992 (1.58, 1.57, 27.07 ppm): 1 diagonal assignment: HG LEU 17 - HG LEU 17 (0.79) kept Reference assignment not found: HG12 ILE 29 - HG12 ILE 29 Peak 3993 (0.96, 1.57, 27.07 ppm): 6 chemical-shift based assignments, quality = 0.346, support = 3.8, residual support = 49.7: O QD1 LEU 17 - HG LEU 17 16.667% * 47.4648% (0.12 10.0 3.65 88.51) = 47.465% kept QG2 ILE 29 - HG LEU 17 16.667% * 44.9728% (0.51 1.0 4.53 17.13) = 44.973% kept QG2 VAL 99 - HG LEU 17 16.667% * 6.7282% (0.84 1.0 0.42 0.32) = 6.728% kept QG2 VAL 62 - HG LEU 17 16.667% * 0.5955% (0.37 1.0 0.08 0.02) = 0.596% QG2 VAL 73 - HG LEU 17 16.667% * 0.1845% (0.48 1.0 0.02 0.02) = 0.185% QG1 VAL 105 - HG LEU 17 16.667% * 0.0541% (0.14 1.0 0.02 0.02) = 0.054% Reference assignment not found: HG13 ILE 29 - HG12 ILE 29 Peak 3994 (0.99, 0.99, 26.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HG13 ILE 29 - HG13 ILE 29 Peak unassigned. Peak 3995 (0.84, 0.99, 26.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: QD1 ILE 29 - HG13 ILE 29 Peak unassigned. Peak 3996 (0.98, 0.83, 15.61 ppm): 6 chemical-shift based assignments, quality = 0.197, support = 4.56, residual support = 49.4: QG2 ILE 29 - QD1 ILE 29 16.667% * 80.5579% (0.17 5.56 61.33) = 80.558% kept QG2 ILE 29 - QG1 VAL 13 16.667% * 9.8145% (0.17 0.70 0.02) = 9.815% kept QG2 VAL 99 - QG1 VAL 13 16.667% * 5.9569% (0.46 0.15 0.02) = 5.957% kept QG2 VAL 99 - QD1 ILE 29 16.667% * 3.1675% (0.48 0.08 0.02) = 3.168% kept QG2 VAL 73 - QD1 ILE 29 16.667% * 0.2553% (0.15 0.02 0.02) = 0.255% QG2 VAL 73 - QG1 VAL 13 16.667% * 0.2478% (0.15 0.02 0.02) = 0.248% Reference assignment not found: HG13 ILE 29 - QD1 ILE 29 Peak 3997 (0.84, 1.57, 27.07 ppm): 9 chemical-shift based assignments, quality = 0.652, support = 2.65, residual support = 36.7: T QD1 ILE 29 - HG LEU 17 11.111% * 66.0859% (0.79 1.0 10.00 2.02 17.13) = 66.086% kept O T QD2 LEU 17 - HG LEU 17 11.111% * 28.5935% (0.34 10.0 10.00 4.58 88.51) = 28.593% kept T QG1 VAL 13 - HG LEU 17 11.111% * 3.4854% (0.79 1.0 10.00 0.11 0.02) = 3.485% kept QG1 VAL 94 - HG LEU 17 11.111% * 1.1910% (0.55 1.0 1.00 0.52 7.19) = 1.191% kept HG2 LYS+ 117 - HG LEU 17 11.111% * 0.3244% (0.90 1.0 1.00 0.09 0.02) = 0.324% T QD2 LEU 90 - HG LEU 17 11.111% * 0.2118% (0.25 1.0 10.00 0.02 0.17) = 0.212% QG2 VAL 13 - HG LEU 17 11.111% * 0.0721% (0.86 1.0 1.00 0.02 0.02) = 0.072% QD1 LEU 90 - HG LEU 17 11.111% * 0.0190% (0.23 1.0 1.00 0.02 0.17) = 0.019% QG2 ILE 100 - HG LEU 17 11.111% * 0.0170% (0.20 1.0 1.00 0.02 0.02) = 0.017% Reference assignment not found: QD1 ILE 29 - HG12 ILE 29 Peak 3998 (2.64, 2.64, 40.90 ppm): 2 diagonal assignments: * HB3 ASP- 36 - HB3 ASP- 36 (0.50) kept HB3 ASP- 82 - HB3 ASP- 82 (0.17) kept Peak 3999 (2.54, 2.53, 40.90 ppm): 1 diagonal assignment: * HB2 ASP- 36 - HB2 ASP- 36 (0.57) kept Peak 4000 (0.69, 0.68, 21.81 ppm): 2 diagonal assignments: * QG2 VAL 94 - QG2 VAL 94 (0.69) kept QG2 THR 96 - QG2 THR 96 (0.06) kept Peak 4001 (1.79, 1.77, 25.39 ppm): 2 diagonal assignments: HG3 LYS+ 63 - HG3 LYS+ 63 (0.73) kept * HG2 PRO 31 - HG2 PRO 31 (0.71) kept Peak 4002 (1.68, 0.02, 16.87 ppm): 9 chemical-shift based assignments, quality = 0.812, support = 3.47, residual support = 58.1: O HG13 ILE 19 - QG2 ILE 19 11.111% * 56.7235% (0.83 10.0 1.00 5.02 96.68) = 56.723% kept * T HB3 MET 97 - QG2 ILE 19 11.111% * 40.5924% (0.80 1.0 10.00 1.49 8.12) = 40.592% kept HB3 MET 126 - QG2 ILE 19 11.111% * 1.8312% (0.86 1.0 1.00 0.62 0.02) = 1.831% kept T HB3 LYS+ 66 - QG2 ILE 19 11.111% * 0.4393% (0.64 1.0 10.00 0.02 0.02) = 0.439% HG2 PRO 52 - QG2 ILE 19 11.111% * 0.2082% (0.68 1.0 1.00 0.09 0.02) = 0.208% HB3 LYS+ 81 - QG2 ILE 19 11.111% * 0.0655% (0.96 1.0 1.00 0.02 0.02) = 0.066% HD3 LYS+ 55 - QG2 ILE 19 11.111% * 0.0627% (0.92 1.0 1.00 0.02 0.02) = 0.063% HB ILE 100 - QG2 ILE 19 11.111% * 0.0466% (0.68 1.0 1.00 0.02 0.02) = 0.047% HG3 ARG+ 84 - QG2 ILE 19 11.111% * 0.0304% (0.45 1.0 1.00 0.02 0.02) = 0.030% Peak 4003 (1.10, 1.08, 21.52 ppm): 2 diagonal assignments: * QG2 THR 95 - QG2 THR 95 (0.37) kept QG2 THR 61 - QG2 THR 61 (0.10) kept Peak 4004 (8.96, 2.20, 34.06 ppm): 36 chemical-shift based assignments, quality = 0.493, support = 1.84, residual support = 6.96: * HN MET 97 - HG3 MET 97 2.778% * 32.4093% (0.68 2.91 12.71) = 32.409% kept HN ARG+ 22 - HB VAL 99 2.778% * 12.3736% (0.37 2.02 9.56) = 12.374% kept HN MET 97 - HB VAL 99 2.778% * 11.5083% (0.71 0.99 1.69) = 11.508% kept HN THR 96 - HG3 MET 97 2.778% * 11.0031% (0.30 2.20 4.81) = 11.003% kept HN PHE 21 - HB VAL 99 2.778% * 9.0103% (0.24 2.27 5.39) = 9.010% kept HN ILE 19 - HG3 MET 97 2.778% * 5.2030% (0.57 0.56 8.12) = 5.203% kept HN ILE 19 - HG2 MET 126 2.778% * 3.5771% (0.68 0.32 0.02) = 3.577% kept HN ILE 19 - HG3 MET 126 2.778% * 2.6708% (0.54 0.30 0.02) = 2.671% kept HN ARG+ 22 - HG2 GLN 102 2.778% * 2.5170% (0.20 0.78 0.11) = 2.517% kept HN ARG+ 22 - HG3 MET 97 2.778% * 1.9554% (0.36 0.33 0.98) = 1.955% kept HN ARG+ 22 - HG3 GLN 102 2.778% * 1.5791% (0.17 0.55 0.11) = 1.579% kept HN MET 97 - HG2 GLN 102 2.778% * 1.1798% (0.37 0.19 0.02) = 1.180% kept HN MET 97 - HG3 GLN 102 2.778% * 1.0463% (0.33 0.19 0.02) = 1.046% kept HN ARG+ 22 - HG2 MET 126 2.778% * 0.6255% (0.43 0.09 0.02) = 0.625% HN THR 96 - HB VAL 99 2.778% * 0.5006% (0.32 0.10 0.02) = 0.501% HN MET 97 - HG2 MET 126 2.778% * 0.2673% (0.81 0.02 0.02) = 0.267% HN LEU 17 - HG2 MET 126 2.778% * 0.2473% (0.75 0.02 0.02) = 0.247% HN LEU 17 - HB VAL 99 2.778% * 0.2146% (0.65 0.02 0.32) = 0.215% HN MET 97 - HG3 MET 126 2.778% * 0.2116% (0.64 0.02 0.02) = 0.212% HN LEU 17 - HG3 MET 97 2.778% * 0.2059% (0.63 0.02 0.94) = 0.206% HN LEU 17 - HG3 MET 126 2.778% * 0.1958% (0.60 0.02 0.02) = 0.196% HN ILE 19 - HB VAL 99 2.778% * 0.1942% (0.59 0.02 0.02) = 0.194% HN PHE 21 - HG2 GLN 102 2.778% * 0.1921% (0.13 0.09 0.02) = 0.192% HN THR 96 - HG2 MET 126 2.778% * 0.1201% (0.37 0.02 0.02) = 0.120% HN LEU 17 - HG2 GLN 102 2.778% * 0.1127% (0.34 0.02 0.02) = 0.113% HN ARG+ 22 - HG3 MET 126 2.778% * 0.1116% (0.34 0.02 0.02) = 0.112% HN ILE 19 - HG2 GLN 102 2.778% * 0.1020% (0.31 0.02 0.02) = 0.102% HN LEU 17 - HG3 GLN 102 2.778% * 0.1000% (0.30 0.02 0.02) = 0.100% HN THR 96 - HG3 MET 126 2.778% * 0.0951% (0.29 0.02 0.02) = 0.095% HN PHE 21 - HG2 MET 126 2.778% * 0.0914% (0.28 0.02 0.02) = 0.091% HN ILE 19 - HG3 GLN 102 2.778% * 0.0905% (0.28 0.02 0.02) = 0.090% HN PHE 21 - HG3 MET 97 2.778% * 0.0761% (0.23 0.02 1.81) = 0.076% HN PHE 21 - HG3 MET 126 2.778% * 0.0723% (0.22 0.02 0.02) = 0.072% HN THR 96 - HG2 GLN 102 2.778% * 0.0547% (0.17 0.02 0.02) = 0.055% HN THR 96 - HG3 GLN 102 2.778% * 0.0486% (0.15 0.02 0.02) = 0.049% HN PHE 21 - HG3 GLN 102 2.778% * 0.0369% (0.11 0.02 0.02) = 0.037% Peak 4005 (8.96, 1.67, 34.43 ppm): 12 chemical-shift based assignments, quality = 0.911, support = 2.8, residual support = 12.1: * O HN MET 97 - HB3 MET 97 8.333% * 90.8976% (0.95 10.0 2.88 12.71) = 90.898% kept HN THR 96 - HB3 MET 97 8.333% * 5.7246% (0.43 1.0 2.80 4.81) = 5.725% kept HN ILE 19 - HB3 MET 97 8.333% * 2.8535% (0.80 1.0 0.75 8.12) = 2.853% kept HN MET 97 - HB3 LYS+ 66 8.333% * 0.0885% (0.93 1.0 0.02 0.02) = 0.089% HN LEU 17 - HB3 MET 97 8.333% * 0.0841% (0.88 1.0 0.02 0.94) = 0.084% HN LEU 17 - HB3 LYS+ 66 8.333% * 0.0819% (0.86 1.0 0.02 0.02) = 0.082% HN ILE 19 - HB3 LYS+ 66 8.333% * 0.0741% (0.77 1.0 0.02 0.02) = 0.074% HN ARG+ 22 - HB3 MET 97 8.333% * 0.0479% (0.50 1.0 0.02 0.98) = 0.048% HN ARG+ 22 - HB3 LYS+ 66 8.333% * 0.0467% (0.49 1.0 0.02 0.02) = 0.047% HN THR 96 - HB3 LYS+ 66 8.333% * 0.0398% (0.42 1.0 0.02 0.02) = 0.040% HN PHE 21 - HB3 MET 97 8.333% * 0.0311% (0.32 1.0 0.02 1.81) = 0.031% HN PHE 21 - HB3 LYS+ 66 8.333% * 0.0303% (0.32 1.0 0.02 0.02) = 0.030% Peak 4006 (4.96, 1.67, 34.43 ppm): 10 chemical-shift based assignments, quality = 0.828, support = 2.68, residual support = 11.7: * O HA MET 97 - HB3 MET 97 10.000% * 88.1182% (0.85 10.0 2.71 12.71) = 88.118% kept HA HIS+ 98 - HB3 MET 97 10.000% * 10.0898% (0.69 1.0 2.83 3.95) = 10.090% kept HA ILE 101 - HB3 LYS+ 66 10.000% * 1.4752% (0.38 1.0 0.75 9.40) = 1.475% kept HA MET 97 - HB3 LYS+ 66 10.000% * 0.0858% (0.83 1.0 0.02 0.02) = 0.086% HA HIS+ 98 - HB3 LYS+ 66 10.000% * 0.0695% (0.67 1.0 0.02 0.23) = 0.069% HA ILE 101 - HB3 MET 97 10.000% * 0.0404% (0.39 1.0 0.02 0.02) = 0.040% HA SER 69 - HB3 MET 97 10.000% * 0.0369% (0.36 1.0 0.02 0.02) = 0.037% HA SER 69 - HB3 LYS+ 66 10.000% * 0.0359% (0.35 1.0 0.02 0.02) = 0.036% HA ALA 33 - HB3 MET 97 10.000% * 0.0245% (0.24 1.0 0.02 0.02) = 0.025% HA ALA 33 - HB3 LYS+ 66 10.000% * 0.0239% (0.23 1.0 0.02 0.02) = 0.024% Peak 4007 (9.09, 1.66, 34.55 ppm): 4 chemical-shift based assignments, quality = 0.683, support = 4.36, residual support = 30.5: * O HN LYS+ 66 - HB3 LYS+ 66 25.000% * 99.7406% (0.69 10.0 4.37 30.59) = 99.741% kept HN LYS+ 66 - HB3 MET 97 25.000% * 0.0947% (0.65 1.0 0.02 0.02) = 0.095% HN GLU- 54 - HB3 LYS+ 66 25.000% * 0.0844% (0.58 1.0 0.02 0.02) = 0.084% HN GLU- 54 - HB3 MET 97 25.000% * 0.0802% (0.55 1.0 0.02 0.02) = 0.080% Peak 4008 (1.85, 1.85, 34.49 ppm): 3 diagonal assignments: HB3 LYS+ 60 - HB3 LYS+ 60 (0.83) kept * HB2 LYS+ 66 - HB2 LYS+ 66 (0.73) kept HB3 LYS+ 72 - HB3 LYS+ 72 (0.15) kept Peak 4009 (1.85, 1.66, 34.55 ppm): 22 chemical-shift based assignments, quality = 0.679, support = 3.3, residual support = 28.9: * O HB2 LYS+ 66 - HB3 LYS+ 66 4.545% * 94.5280% (0.69 10.0 3.46 30.59) = 94.528% kept HD2 PRO 59 - HB3 LYS+ 66 4.545% * 3.8564% (0.80 1.0 0.70 0.28) = 3.856% kept HB2 PRO 104 - HB3 LYS+ 66 4.545% * 0.1237% (0.90 1.0 0.02 0.02) = 0.124% HB3 LYS+ 72 - HB3 LYS+ 66 4.545% * 0.1234% (0.89 1.0 0.02 0.02) = 0.123% HB3 LYS+ 60 - HB3 LYS+ 66 4.545% * 0.1226% (0.89 1.0 0.02 0.02) = 0.123% HG2 PRO 112 - HB3 LYS+ 66 4.545% * 0.1194% (0.16 1.0 0.11 0.02) = 0.119% HB2 PRO 104 - HB3 MET 97 4.545% * 0.1175% (0.85 1.0 0.02 0.02) = 0.117% HB3 LYS+ 72 - HB3 MET 97 4.545% * 0.1172% (0.85 1.0 0.02 0.02) = 0.117% HB3 LYS+ 60 - HB3 MET 97 4.545% * 0.1164% (0.84 1.0 0.02 0.02) = 0.116% HB VAL 94 - HB3 LYS+ 66 4.545% * 0.1142% (0.83 1.0 0.02 0.02) = 0.114% HB VAL 94 - HB3 MET 97 4.545% * 0.1084% (0.79 1.0 0.02 0.02) = 0.108% HD2 PRO 59 - HB3 MET 97 4.545% * 0.1054% (0.76 1.0 0.02 0.02) = 0.105% HB2 LYS+ 66 - HB3 MET 97 4.545% * 0.0898% (0.65 1.0 0.02 0.02) = 0.090% HB2 PRO 59 - HB3 LYS+ 66 4.545% * 0.0509% (0.37 1.0 0.02 0.28) = 0.051% HB3 ARG+ 84 - HB3 LYS+ 66 4.545% * 0.0509% (0.37 1.0 0.02 0.02) = 0.051% HB3 ARG+ 84 - HB3 MET 97 4.545% * 0.0483% (0.35 1.0 0.02 0.02) = 0.048% HB2 PRO 59 - HB3 MET 97 4.545% * 0.0483% (0.35 1.0 0.02 0.02) = 0.048% HD3 PRO 52 - HB3 LYS+ 66 4.545% * 0.0464% (0.34 1.0 0.02 0.12) = 0.046% HD3 PRO 52 - HB3 MET 97 4.545% * 0.0441% (0.32 1.0 0.02 0.02) = 0.044% HG3 LYS+ 120 - HB3 LYS+ 66 4.545% * 0.0245% (0.18 1.0 0.02 0.02) = 0.024% HG3 LYS+ 120 - HB3 MET 97 4.545% * 0.0232% (0.17 1.0 0.02 0.02) = 0.023% HG2 PRO 112 - HB3 MET 97 4.545% * 0.0211% (0.15 1.0 0.02 0.02) = 0.021% Peak 4011 (1.09, 1.85, 34.49 ppm): 9 chemical-shift based assignments, quality = 0.633, support = 1.16, residual support = 3.06: QG2 THR 95 - HB2 LYS+ 66 11.111% * 54.9565% (0.80 1.23 0.90) = 54.956% kept QG2 THR 61 - HB3 LYS+ 60 11.111% * 16.8962% (0.13 2.32 15.13) = 16.896% kept QG2 THR 79 - HB3 LYS+ 60 11.111% * 13.8686% (0.61 0.40 0.02) = 13.869% kept QG2 THR 95 - HB3 LYS+ 60 11.111% * 12.6366% (0.70 0.32 0.02) = 12.637% kept QG2 THR 79 - HB2 LYS+ 66 11.111% * 0.7781% (0.69 0.02 0.02) = 0.778% QG2 THR 79 - HB3 LYS+ 72 11.111% * 0.5263% (0.11 0.08 0.02) = 0.526% QG2 THR 61 - HB2 LYS+ 66 11.111% * 0.1653% (0.15 0.02 0.02) = 0.165% QG2 THR 95 - HB3 LYS+ 72 11.111% * 0.1455% (0.13 0.02 0.02) = 0.145% QG2 THR 61 - HB3 LYS+ 72 11.111% * 0.0269% (0.02 0.02 0.02) = 0.027% Peak 4012 (2.15, 2.40, 34.10 ppm): 10 chemical-shift based assignments, quality = 0.643, support = 4.11, residual support = 36.3: * O HB3 LYS+ 78 - HB2 LYS+ 78 10.000% * 86.8235% (0.68 10.0 1.00 4.66 41.77) = 86.824% kept T HB2 ASP- 28 - HB2 LYS+ 78 10.000% * 12.4917% (0.40 1.0 10.00 0.49 0.47) = 12.492% kept HG2 PRO 112 - HB2 LYS+ 78 10.000% * 0.3881% (0.67 1.0 1.00 0.09 0.02) = 0.388% HB VAL 47 - HB2 LYS+ 78 10.000% * 0.0900% (0.71 1.0 1.00 0.02 0.02) = 0.090% HG2 PRO 104 - HB2 LYS+ 78 10.000% * 0.0653% (0.51 1.0 1.00 0.02 0.02) = 0.065% HB3 GLU- 75 - HB2 LYS+ 78 10.000% * 0.0550% (0.43 1.0 1.00 0.02 0.02) = 0.055% HG2 GLN 102 - HB2 LYS+ 78 10.000% * 0.0250% (0.20 1.0 1.00 0.02 0.02) = 0.025% HG2 GLU- 45 - HB2 LYS+ 78 10.000% * 0.0250% (0.20 1.0 1.00 0.02 0.02) = 0.025% HB2 ASP- 82 - HB2 LYS+ 78 10.000% * 0.0224% (0.18 1.0 1.00 0.02 0.92) = 0.022% HB VAL 105 - HB2 LYS+ 78 10.000% * 0.0139% (0.11 1.0 1.00 0.02 0.02) = 0.014% Peak 4013 (1.64, 2.40, 34.10 ppm): 12 chemical-shift based assignments, quality = 0.243, support = 3.96, residual support = 40.0: * O HG3 LYS+ 78 - HB2 LYS+ 78 8.333% * 95.8054% (0.24 10.0 4.12 41.77) = 95.805% kept HB ILE 68 - HB2 LYS+ 78 8.333% * 2.7968% (0.43 1.0 0.33 0.02) = 2.797% kept HG2 ARG+ 22 - HB2 LYS+ 78 8.333% * 0.2711% (0.68 1.0 0.02 0.02) = 0.271% HG LEU 23 - HB2 LYS+ 78 8.333% * 0.2040% (0.51 1.0 0.02 0.02) = 0.204% HG12 ILE 101 - HB2 LYS+ 78 8.333% * 0.1817% (0.46 1.0 0.02 0.02) = 0.182% HG LEU 43 - HB2 LYS+ 78 8.333% * 0.1704% (0.43 1.0 0.02 0.02) = 0.170% HB VAL 122 - HB2 LYS+ 78 8.333% * 0.1704% (0.43 1.0 0.02 0.02) = 0.170% HG3 ARG+ 84 - HB2 LYS+ 78 8.333% * 0.1367% (0.34 1.0 0.02 0.02) = 0.137% HB3 LYS+ 66 - HB2 LYS+ 78 8.333% * 0.0867% (0.22 1.0 0.02 0.02) = 0.087% HB ILE 100 - HB2 LYS+ 78 8.333% * 0.0781% (0.20 1.0 0.02 0.02) = 0.078% HB3 MET 97 - HB2 LYS+ 78 8.333% * 0.0556% (0.14 1.0 0.02 0.02) = 0.056% HB3 MET 126 - HB2 LYS+ 78 8.333% * 0.0433% (0.11 1.0 0.02 0.02) = 0.043% Peak 4014 (0.94, 3.45, 67.62 ppm): 10 chemical-shift based assignments, quality = 0.577, support = 2.14, residual support = 18.8: * O QG2 VAL 80 - HA VAL 80 10.000% * 72.9256% (0.47 10.0 2.54 25.63) = 72.926% kept QG2 VAL 62 - HA VAL 80 10.000% * 10.0166% (0.92 1.0 1.41 0.90) = 10.017% kept QG2 VAL 73 - HA VAL 80 10.000% * 8.7068% (0.84 1.0 1.34 0.58) = 8.707% kept QG1 VAL 105 - HA VAL 80 10.000% * 2.7874% (0.94 1.0 0.39 0.02) = 2.787% kept QG2 VAL 105 - HA VAL 80 10.000% * 2.6262% (0.89 1.0 0.38 0.02) = 2.626% kept QD1 LEU 17 - HA VAL 80 10.000% * 2.0057% (0.92 1.0 0.28 0.02) = 2.006% kept QG2 ILE 29 - HA VAL 80 10.000% * 0.6708% (0.81 1.0 0.11 0.02) = 0.671% HG12 ILE 68 - HA VAL 80 10.000% * 0.1029% (0.67 1.0 0.02 0.02) = 0.103% HG3 LYS+ 110 - HA VAL 80 10.000% * 0.0909% (0.59 1.0 0.02 0.02) = 0.091% QG2 VAL 99 - HA VAL 80 10.000% * 0.0672% (0.43 1.0 0.02 0.02) = 0.067% Peak 4015 (0.94, 1.10, 22.36 ppm): 10 chemical-shift based assignments, quality = 0.373, support = 1.26, residual support = 5.7: QG2 VAL 80 - QG2 THR 79 10.000% * 34.2992% (0.34 1.90 16.14) = 34.299% kept QG2 VAL 62 - QG2 THR 79 10.000% * 30.4185% (0.43 1.31 0.44) = 30.418% kept QG2 ILE 29 - QG2 THR 79 10.000% * 16.5736% (0.36 0.87 0.18) = 16.574% kept QG2 VAL 73 - QG2 THR 79 10.000% * 8.8269% (0.38 0.44 0.02) = 8.827% kept HG12 ILE 68 - QG2 THR 79 10.000% * 7.6194% (0.43 0.33 0.02) = 7.619% kept QG1 VAL 105 - QG2 THR 79 10.000% * 0.5570% (0.52 0.02 0.02) = 0.557% QD1 LEU 17 - QG2 THR 79 10.000% * 0.5558% (0.52 0.02 0.02) = 0.556% QG2 VAL 105 - QG2 THR 79 10.000% * 0.5521% (0.51 0.02 0.02) = 0.552% HG3 LYS+ 110 - QG2 THR 79 10.000% * 0.4257% (0.40 0.02 0.02) = 0.426% QG2 VAL 99 - QG2 THR 79 10.000% * 0.1719% (0.16 0.02 0.02) = 0.172% Peak 4016 (0.94, 0.94, 22.36 ppm): 2 diagonal assignments: QG2 VAL 62 - QG2 VAL 62 (0.73) kept QG2 VAL 73 - QG2 VAL 73 (0.59) kept Reference assignment not found: QG2 VAL 80 - QG2 VAL 80 Peak 4017 (8.60, 0.94, 22.36 ppm): 15 chemical-shift based assignments, quality = 0.502, support = 1.9, residual support = 8.42: HN VAL 73 - QG2 VAL 73 6.667% * 31.9997% (0.27 3.79 25.01) = 32.000% kept HN LYS+ 20 - QG2 VAL 62 6.667% * 28.7335% (0.92 1.00 0.66) = 28.734% kept HN VAL 80 - QG2 VAL 62 6.667% * 16.1449% (0.42 1.24 0.90) = 16.145% kept HN VAL 80 - QG2 VAL 73 6.667% * 14.5874% (0.39 1.19 0.58) = 14.587% kept HN VAL 73 - QG2 VAL 62 6.667% * 4.3629% (0.29 0.49 0.02) = 4.363% kept HN THR 39 - QG2 VAL 62 6.667% * 3.0673% (0.45 0.22 0.02) = 3.067% kept HN LYS+ 20 - QG2 VAL 73 6.667% * 0.5427% (0.87 0.02 0.02) = 0.543% HN THR 39 - QG2 VAL 73 6.667% * 0.2665% (0.43 0.02 0.18) = 0.267% HN SER 85 - QG2 VAL 62 6.667% * 0.0894% (0.14 0.02 0.02) = 0.089% HN SER 85 - QG2 VAL 73 6.667% * 0.0845% (0.14 0.02 0.02) = 0.084% HN LYS+ 20 - QG1 VAL 47 6.667% * 0.0502% (0.08 0.02 0.02) = 0.050% HN THR 39 - QG1 VAL 47 6.667% * 0.0247% (0.04 0.02 0.02) = 0.025% HN VAL 80 - QG1 VAL 47 6.667% * 0.0227% (0.04 0.02 0.02) = 0.023% HN VAL 73 - QG1 VAL 47 6.667% * 0.0156% (0.03 0.02 0.02) = 0.016% HN SER 85 - QG1 VAL 47 6.667% * 0.0078% (0.01 0.02 0.02) = 0.008% Reference assignment not found: HN VAL 80 - QG2 VAL 80 Peak 4018 (7.60, 0.90, 24.44 ppm): 4 chemical-shift based assignments, quality = 0.226, support = 0.289, residual support = 0.325: * HN LYS+ 78 - QG2 VAL 40 25.000% * 73.9047% (0.23 0.36 0.43) = 73.905% kept HD21 ASN 57 - QG2 VAL 40 25.000% * 15.4033% (0.16 0.11 0.02) = 15.403% kept HN ASP- 25 - QG2 VAL 40 25.000% * 5.5835% (0.32 0.02 0.02) = 5.583% kept HD21 ASN 15 - QG2 VAL 40 25.000% * 5.1086% (0.29 0.02 0.02) = 5.109% kept Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 4019 (5.39, 0.90, 24.46 ppm): 1 chemical-shift based assignment, quality = 0.188, support = 2.31, residual support = 8.54: * T HA THR 79 - QG2 VAL 40 100.000% *100.0000% (0.19 10.00 2.31 8.54) = 100.000% kept Peak 4020 (1.64, 0.91, 25.91 ppm): 12 chemical-shift based assignments, quality = 0.498, support = 2.88, residual support = 19.5: T HB ILE 68 - QD1 LEU 67 8.333% * 50.0651% (0.52 10.00 4.14 34.91) = 50.065% kept * T HG LEU 43 - QD1 LEU 67 8.333% * 35.3911% (0.52 10.00 1.41 3.85) = 35.391% kept HB3 LYS+ 66 - QD1 LEU 67 8.333% * 5.2375% (0.26 1.00 4.11 9.09) = 5.238% kept HG2 ARG+ 22 - QD1 LEU 67 8.333% * 3.6791% (0.83 1.00 0.92 0.32) = 3.679% kept HB ILE 100 - QD1 LEU 67 8.333% * 2.2971% (0.24 1.00 2.00 8.65) = 2.297% kept HG3 ARG+ 84 - QD1 LEU 67 8.333% * 1.1785% (0.42 1.00 0.59 0.99) = 1.179% kept HG12 ILE 101 - QD1 LEU 67 8.333% * 0.9786% (0.55 1.00 0.37 0.02) = 0.979% HG3 LYS+ 78 - QD1 LEU 67 8.333% * 0.7870% (0.29 1.00 0.56 0.02) = 0.787% HG LEU 23 - QD1 LEU 67 8.333% * 0.3068% (0.62 1.00 0.10 0.02) = 0.307% HB VAL 122 - QD1 LEU 67 8.333% * 0.0501% (0.52 1.00 0.02 0.02) = 0.050% HB3 MET 97 - QD1 LEU 67 8.333% * 0.0163% (0.17 1.00 0.02 0.02) = 0.016% HB3 MET 126 - QD1 LEU 67 8.333% * 0.0127% (0.13 1.00 0.02 0.02) = 0.013% Peak 4021 (1.46, 5.56, 52.82 ppm): 8 chemical-shift based assignments, quality = 0.84, support = 5.97, residual support = 111.1: * O T HB3 LEU 67 - HA LEU 67 12.500% * 96.6007% (0.84 10.0 10.00 6.17 115.02) = 96.601% kept HG3 PRO 52 - HA LEU 67 12.500% * 3.0265% (0.86 1.0 1.00 0.62 0.14) = 3.026% kept HG13 ILE 48 - HA LEU 67 12.500% * 0.0932% (0.81 1.0 1.00 0.02 0.17) = 0.093% HG3 LYS+ 60 - HA LEU 67 12.500% * 0.0789% (0.69 1.0 1.00 0.02 0.02) = 0.079% HG2 PRO 59 - HA LEU 67 12.500% * 0.0789% (0.69 1.0 1.00 0.02 0.80) = 0.079% HB3 LYS+ 44 - HA LEU 67 12.500% * 0.0519% (0.45 1.0 1.00 0.02 0.80) = 0.052% QB ALA 70 - HA LEU 67 12.500% * 0.0480% (0.42 1.0 1.00 0.02 0.02) = 0.048% HG LEU 90 - HA LEU 67 12.500% * 0.0219% (0.19 1.0 1.00 0.02 0.02) = 0.022% Peak 4022 (1.65, 5.56, 52.82 ppm): 12 chemical-shift based assignments, quality = 0.579, support = 3.44, residual support = 11.5: HB3 LYS+ 66 - HA LEU 67 8.333% * 49.7758% (0.66 4.47 9.09) = 49.776% kept HB ILE 100 - HA LEU 67 8.333% * 16.0125% (0.62 1.51 8.65) = 16.012% kept HB ILE 68 - HA LEU 67 8.333% * 15.7362% (0.17 5.45 34.91) = 15.736% kept HG2 ARG+ 22 - HA LEU 67 8.333% * 10.1348% (0.75 0.80 0.32) = 10.135% kept HG3 ARG+ 84 - HA LEU 67 8.333% * 5.9602% (0.79 0.44 0.99) = 5.960% kept HG12 ILE 101 - HA LEU 67 8.333% * 1.4326% (0.19 0.44 0.02) = 1.433% kept HG LEU 43 - HA LEU 67 8.333% * 0.3695% (0.17 0.13 3.85) = 0.369% HB3 MET 97 - HA LEU 67 8.333% * 0.1769% (0.52 0.02 0.02) = 0.177% HB3 MET 126 - HA LEU 67 8.333% * 0.1534% (0.45 0.02 0.02) = 0.153% HB3 LYS+ 81 - HA LEU 67 8.333% * 0.1094% (0.32 0.02 0.02) = 0.109% HG LEU 23 - HA LEU 67 8.333% * 0.0811% (0.24 0.02 0.02) = 0.081% HB VAL 122 - HA LEU 67 8.333% * 0.0577% (0.17 0.02 0.02) = 0.058% Peak 4023 (1.41, 5.56, 52.82 ppm): 14 chemical-shift based assignments, quality = 0.799, support = 5.04, residual support = 103.0: * O HG LEU 67 - HA LEU 67 7.143% * 87.1871% (0.84 10.0 5.31 115.02) = 87.187% kept HG13 ILE 68 - HA LEU 67 7.143% * 6.3572% (0.24 1.0 5.14 34.91) = 6.357% kept HG13 ILE 100 - HA LEU 67 7.143% * 5.9333% (0.83 1.0 1.38 8.65) = 5.933% kept QB ALA 37 - HA LEU 67 7.143% * 0.0882% (0.85 1.0 0.02 0.02) = 0.088% QB ALA 93 - HA LEU 67 7.143% * 0.0858% (0.83 1.0 0.02 0.02) = 0.086% HD3 LYS+ 20 - HA LEU 67 7.143% * 0.0611% (0.59 1.0 0.02 0.02) = 0.061% HD3 LYS+ 44 - HA LEU 67 7.143% * 0.0611% (0.59 1.0 0.02 0.80) = 0.061% QB ALA 91 - HA LEU 67 7.143% * 0.0504% (0.49 1.0 0.02 0.02) = 0.050% QG2 THR 38 - HA LEU 67 7.143% * 0.0433% (0.42 1.0 0.02 0.10) = 0.043% HD3 LYS+ 113 - HA LEU 67 7.143% * 0.0334% (0.32 1.0 0.02 0.02) = 0.033% HG3 ARG+ 22 - HA LEU 67 7.143% * 0.0303% (0.29 1.0 0.02 0.32) = 0.030% HG3 LYS+ 55 - HA LEU 67 7.143% * 0.0303% (0.29 1.0 0.02 0.02) = 0.030% HG3 LYS+ 113 - HA LEU 67 7.143% * 0.0247% (0.24 1.0 0.02 0.02) = 0.025% QG2 THR 39 - HA LEU 67 7.143% * 0.0137% (0.13 1.0 0.02 0.02) = 0.014% Peak 4024 (0.81, 5.57, 52.81 ppm): 8 chemical-shift based assignments, quality = 0.898, support = 5.68, residual support = 108.0: * T QD2 LEU 67 - HA LEU 67 12.500% * 93.4599% (0.93 10.00 5.97 115.02) = 93.460% kept QD1 ILE 100 - HA LEU 67 12.500% * 5.3298% (0.60 1.00 1.76 8.65) = 5.330% kept QG1 VAL 13 - HA LEU 67 12.500% * 0.9554% (0.29 1.00 0.66 0.02) = 0.955% QD2 LEU 90 - HA LEU 67 12.500% * 0.0838% (0.83 1.00 0.02 0.02) = 0.084% QD2 LEU 17 - HA LEU 67 12.500% * 0.0748% (0.74 1.00 0.02 0.02) = 0.075% QG1 VAL 94 - HA LEU 67 12.500% * 0.0529% (0.52 1.00 0.02 0.02) = 0.053% QD1 ILE 29 - HA LEU 67 12.500% * 0.0288% (0.29 1.00 0.02 0.02) = 0.029% HG2 LYS+ 117 - HA LEU 67 12.500% * 0.0144% (0.14 1.00 0.02 0.02) = 0.014% Peak 4025 (0.73, 5.57, 52.81 ppm): 9 chemical-shift based assignments, quality = 0.855, support = 3.42, residual support = 17.8: QD1 ILE 68 - HA LEU 67 11.111% * 43.2093% (0.89 4.92 34.91) = 43.209% kept HG3 LYS+ 66 - HA LEU 67 11.111% * 28.6061% (0.88 3.32 9.09) = 28.606% kept QG2 VAL 65 - HA LEU 67 11.111% * 13.7468% (0.92 1.52 0.72) = 13.747% kept HG3 LYS+ 44 - HA LEU 67 11.111% * 6.6945% (0.88 0.78 0.80) = 6.694% kept QG2 ILE 101 - HA LEU 67 11.111% * 5.3755% (0.40 1.37 0.02) = 5.376% kept QG2 ILE 48 - HA LEU 67 11.111% * 2.0645% (0.57 0.37 0.17) = 2.065% kept QG1 VAL 40 - HA LEU 67 11.111% * 0.1721% (0.88 0.02 0.02) = 0.172% HG LEU 74 - HA LEU 67 11.111% * 0.1030% (0.52 0.02 17.19) = 0.103% QG2 THR 96 - HA LEU 67 11.111% * 0.0281% (0.14 0.02 0.02) = 0.028% Peak 4026 (6.88, 0.81, 27.87 ppm): 4 chemical-shift based assignments, quality = 0.881, support = 1.28, residual support = 3.31: * QD PHE 21 - QD2 LEU 67 25.000% * 67.9684% (0.99 1.61 4.28) = 67.968% kept HD22 ASN 15 - QD2 LEU 67 25.000% * 12.2474% (0.72 0.40 0.14) = 12.247% kept HD21 ASN 119 - QD2 LEU 67 25.000% * 10.8148% (0.96 0.27 0.02) = 10.815% kept HZ PHE 21 - QD2 LEU 67 25.000% * 8.9694% (0.17 1.21 4.28) = 8.969% kept Peak 4027 (0.03, 4.00, 70.67 ppm): 1 chemical-shift based assignment, quality = 0.904, support = 4.21, residual support = 34.0: * T QG2 ILE 19 - HB THR 95 100.000% *100.0000% (0.90 10.00 4.21 34.03) = 100.000% kept Peak 4028 (8.51, 1.89, 37.10 ppm): 1 chemical-shift based assignment, quality = 0.244, support = 0.02, residual support = 0.02: HN GLU- 10 - HG2 GLU- 18 100.000% *100.0000% (0.24 0.02 0.02) = 100.000% kept Reference assignment not found: HN GLU- 18 - HG2 GLU- 18 Not enough support, support cutoff is 0.27 Peak unassigned. Peak 4030 (8.99, 1.72, 31.20 ppm): 2 chemical-shift based assignments, quality = 0.414, support = 0.573, residual support = 1.28: HN ILE 19 - HB2 GLN 16 50.000% * 58.1805% (0.55 0.43 1.50) = 58.180% kept HN MET 97 - HB2 GLN 16 50.000% * 41.8195% (0.22 0.78 0.96) = 41.820% kept Reference assignment not found: HN LEU 17 - HB2 GLN 16 Peak 4031 (1.15, 1.72, 31.21 ppm): 7 chemical-shift based assignments, quality = 0.716, support = 0.717, residual support = 1.36: QB ALA 33 - HB2 GLN 16 14.286% * 46.4418% (0.94 0.89 2.54) = 46.442% kept HG3 PRO 59 - HB2 GLN 16 14.286% * 24.7527% (0.65 0.69 0.55) = 24.753% kept HB2 LEU 43 - HB2 GLN 16 14.286% * 11.1509% (0.43 0.47 0.13) = 11.151% kept QG2 THR 106 - HB2 GLN 16 14.286% * 10.7905% (0.32 0.60 0.23) = 10.790% kept HG3 LYS+ 32 - HB2 GLN 16 14.286% * 6.2528% (0.54 0.21 0.02) = 6.253% kept HD3 LYS+ 111 - HB2 GLN 16 14.286% * 0.4695% (0.43 0.02 0.02) = 0.470% QG2 THR 61 - HB2 GLN 16 14.286% * 0.1417% (0.13 0.02 0.02) = 0.142% Peak 4032 (0.84, 1.36, 45.37 ppm): 9 chemical-shift based assignments, quality = 0.35, support = 4.44, residual support = 71.1: * O T QD2 LEU 17 - HB3 LEU 17 11.111% * 78.9287% (0.30 10.0 10.00 5.09 88.51) = 78.929% kept QG1 VAL 94 - HB3 LEU 17 11.111% * 16.7418% (0.51 1.0 1.00 2.49 7.19) = 16.742% kept QG2 VAL 13 - HB3 LEU 17 11.111% * 1.1299% (0.95 1.0 1.00 0.09 0.02) = 1.130% kept QG1 VAL 13 - HB3 LEU 17 11.111% * 1.0800% (0.77 1.0 1.00 0.11 0.02) = 1.080% kept HG2 LYS+ 117 - HB3 LEU 17 11.111% * 1.0601% (0.93 1.0 1.00 0.09 0.02) = 1.060% kept QD2 LEU 90 - HB3 LEU 17 11.111% * 0.7047% (0.22 1.0 1.00 0.25 0.17) = 0.705% QD1 ILE 29 - HB3 LEU 17 11.111% * 0.2048% (0.77 1.0 1.00 0.02 17.13) = 0.205% QD1 LEU 90 - HB3 LEU 17 11.111% * 0.0789% (0.30 1.0 1.00 0.02 0.17) = 0.079% QG2 ILE 100 - HB3 LEU 17 11.111% * 0.0711% (0.27 1.0 1.00 0.02 0.02) = 0.071% Peak 4033 (0.70, 1.36, 45.37 ppm): 10 chemical-shift based assignments, quality = 0.733, support = 1.85, residual support = 5.99: T QG2 VAL 94 - HB3 LEU 17 10.000% * 57.5430% (0.66 10.00 2.34 7.19) = 57.543% kept T QG2 THR 96 - HB3 LEU 17 10.000% * 29.1119% (0.89 10.00 0.75 0.22) = 29.112% kept QD1 ILE 19 - HB3 LEU 17 10.000% * 7.6688% (0.74 1.00 2.40 13.76) = 7.669% kept HG12 ILE 19 - HB3 LEU 17 10.000% * 5.3176% (0.63 1.00 1.96 13.76) = 5.318% kept QG1 VAL 65 - HB3 LEU 17 10.000% * 0.0836% (0.97 1.00 0.02 0.02) = 0.084% QG2 ILE 101 - HB3 LEU 17 10.000% * 0.0835% (0.96 1.00 0.02 0.02) = 0.084% QG2 ILE 48 - HB3 LEU 17 10.000% * 0.0799% (0.92 1.00 0.02 0.02) = 0.080% QG2 ILE 68 - HB3 LEU 17 10.000% * 0.0575% (0.66 1.00 0.02 0.02) = 0.058% HG LEU 74 - HB3 LEU 17 10.000% * 0.0376% (0.43 1.00 0.02 0.02) = 0.038% QG1 VAL 62 - HB3 LEU 17 10.000% * 0.0166% (0.19 1.00 0.02 0.02) = 0.017% Peak 4034 (0.69, 1.75, 45.37 ppm): 9 chemical-shift based assignments, quality = 0.951, support = 1.96, residual support = 11.0: QD1 ILE 19 - HB2 LEU 17 11.111% * 37.5729% (1.00 1.00 2.51 13.76) = 37.573% kept HG12 ILE 19 - HB2 LEU 17 11.111% * 32.3499% (0.99 1.00 2.17 13.76) = 32.350% kept QG2 VAL 94 - HB2 LEU 17 11.111% * 19.5975% (1.00 1.00 1.31 7.19) = 19.597% kept QG2 THR 96 - HB2 LEU 17 11.111% * 6.5352% (0.49 1.00 0.89 0.22) = 6.535% kept T QG2 ILE 48 - HB2 LEU 17 11.111% * 2.9972% (1.00 10.00 0.02 0.02) = 2.997% kept QG2 ILE 68 - HB2 LEU 17 11.111% * 0.2999% (1.00 1.00 0.02 0.02) = 0.300% QG2 ILE 101 - HB2 LEU 17 11.111% * 0.2586% (0.86 1.00 0.02 0.02) = 0.259% QG1 VAL 65 - HB2 LEU 17 11.111% * 0.2065% (0.69 1.00 0.02 0.02) = 0.206% QG1 VAL 62 - HB2 LEU 17 11.111% * 0.1823% (0.61 1.00 0.02 0.02) = 0.182% Peak 4035 (0.02, 1.08, 21.52 ppm): 2 chemical-shift based assignments, quality = 0.94, support = 3.36, residual support = 32.3: * T QG2 ILE 19 - QG2 THR 95 50.000% * 94.7289% (0.98 10.00 3.52 34.03) = 94.729% kept T QG2 ILE 19 - QG2 THR 61 50.000% * 5.2711% (0.20 10.00 0.56 0.47) = 5.271% kept Peak 4036 (4.96, 2.28, 34.06 ppm): 5 chemical-shift based assignments, quality = 0.0274, support = 0.502, residual support = 2.1: HA ALA 33 - HG3 GLN 16 20.000% * 79.8408% (0.02 0.62 2.54) = 79.841% kept HA MET 97 - HG3 GLN 16 20.000% * 6.9254% (0.06 0.02 0.96) = 6.925% kept HA HIS+ 98 - HG3 GLN 16 20.000% * 6.6391% (0.06 0.02 0.02) = 6.639% kept HA ILE 101 - HG3 GLN 16 20.000% * 4.0358% (0.03 0.02 0.02) = 4.036% kept HA SER 69 - HG3 GLN 16 20.000% * 2.5591% (0.02 0.02 0.02) = 2.559% kept Not enough quality. Peak unassigned. Peak 4037 (2.28, 2.28, 34.06 ppm): 10 chemical-shift based assignments, quality = 0.0456, support = 0.02, residual support = 0.0515: T HG3 GLU- 75 - HG3 GLN 16 10.000% * 30.5167% (0.05 10.00 0.02 0.02) = 30.517% kept T HB VAL 80 - HG3 GLN 16 10.000% * 27.4292% (0.05 10.00 0.02 0.02) = 27.429% kept T HG3 GLU- 54 - HG3 GLN 16 10.000% * 13.6209% (0.02 10.00 0.02 0.02) = 13.621% kept T HG3 GLU- 107 - HG3 GLN 16 10.000% * 11.1024% (0.02 10.00 0.02 0.30) = 11.102% kept HB2 LYS+ 44 - HG3 GLN 16 10.000% * 3.8537% (0.07 1.00 0.02 0.02) = 3.854% kept HG2 PRO 112 - HG3 GLN 16 10.000% * 3.8157% (0.07 1.00 0.02 0.02) = 3.816% kept HB3 PRO 112 - HG3 GLN 16 10.000% * 3.6060% (0.06 1.00 0.02 0.02) = 3.606% kept HB3 LYS+ 117 - HG3 GLN 16 10.000% * 3.0517% (0.05 1.00 0.02 0.02) = 3.052% kept HB3 PRO 116 - HG3 GLN 16 10.000% * 1.6416% (0.03 1.00 0.02 0.02) = 1.642% kept HG2 GLU- 64 - HG3 GLN 16 10.000% * 1.3621% (0.02 1.00 0.02 0.02) = 1.362% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 4038 (0.02, 2.28, 34.06 ppm): 1 chemical-shift based assignment, quality = 0.0638, support = 0.24, residual support = 1.5: T QG2 ILE 19 - HG3 GLN 16 100.000% *100.0000% (0.06 10.00 0.24 1.50) = 100.000% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 4039 (2.19, 2.20, 34.06 ppm): 6 diagonal assignments: HG2 MET 126 - HG2 MET 126 (0.81) kept HB VAL 99 - HB VAL 99 (0.54) kept HG3 MET 126 - HG3 MET 126 (0.29) kept * HG3 MET 97 - HG3 MET 97 (0.23) kept HG2 GLN 102 - HG2 GLN 102 (0.18) kept HG3 GLN 102 - HG3 GLN 102 (0.04) kept Peak 4040 (1.68, 2.28, 34.06 ppm): 9 chemical-shift based assignments, quality = 0.0579, support = 0.328, residual support = 0.513: T HG2 PRO 52 - HG3 GLN 16 11.111% * 61.3469% (0.06 10.00 0.20 0.12) = 61.347% kept HG13 ILE 19 - HG3 GLN 16 11.111% * 26.0614% (0.07 1.00 0.77 1.50) = 26.061% kept T HB3 MET 97 - HG3 GLN 16 11.111% * 4.6456% (0.05 10.00 0.02 0.96) = 4.646% kept T HB3 LYS+ 66 - HG3 GLN 16 11.111% * 3.4955% (0.03 10.00 0.02 0.02) = 3.496% kept T HG3 ARG+ 84 - HG3 GLN 16 11.111% * 2.2165% (0.02 10.00 0.02 0.02) = 2.216% kept HD3 LYS+ 55 - HG3 GLN 16 11.111% * 0.7118% (0.07 1.00 0.02 0.02) = 0.712% HB3 LYS+ 81 - HG3 GLN 16 11.111% * 0.6229% (0.06 1.00 0.02 0.02) = 0.623% HB3 MET 126 - HG3 GLN 16 11.111% * 0.5215% (0.05 1.00 0.02 0.02) = 0.521% HB ILE 100 - HG3 GLN 16 11.111% * 0.3778% (0.04 1.00 0.02 0.02) = 0.378% Not enough quality. Peak unassigned. Peak 4041 (1.68, 2.20, 34.06 ppm): 54 chemical-shift based assignments, quality = 0.469, support = 1.57, residual support = 6.17: * O T HB3 MET 97 - HG3 MET 97 1.852% * 39.1465% (0.44 10.0 10.00 2.38 12.71) = 39.146% kept O HB3 MET 126 - HG2 MET 126 1.852% * 26.3859% (0.59 10.0 1.00 1.00 0.68) = 26.386% kept O HB3 MET 126 - HG3 MET 126 1.852% * 20.8860% (0.47 10.0 1.00 1.00 0.68) = 20.886% kept HB ILE 100 - HB VAL 99 1.852% * 4.9111% (0.37 1.0 1.00 2.96 13.75) = 4.911% kept HG13 ILE 19 - HG3 MET 97 1.852% * 2.4241% (0.64 1.0 1.00 0.85 8.12) = 2.424% kept HG13 ILE 19 - HG2 MET 126 1.852% * 1.0998% (0.77 1.0 1.00 0.32 0.02) = 1.100% kept HG13 ILE 19 - HG3 MET 126 1.852% * 0.8211% (0.61 1.0 1.00 0.30 0.02) = 0.821% T HG2 PRO 52 - HG3 MET 97 1.852% * 0.5055% (0.57 1.0 10.00 0.02 0.02) = 0.505% T HG2 PRO 52 - HG3 MET 126 1.852% * 0.4805% (0.54 1.0 10.00 0.02 0.02) = 0.480% T HB3 MET 97 - HG3 MET 126 1.852% * 0.3721% (0.42 1.0 10.00 0.02 0.02) = 0.372% T HB3 LYS+ 66 - HG3 MET 97 1.852% * 0.2946% (0.33 1.0 10.00 0.02 0.02) = 0.295% T HB3 LYS+ 66 - HG3 MET 126 1.852% * 0.2800% (0.31 1.0 10.00 0.02 0.02) = 0.280% T HG2 PRO 52 - HG3 GLN 102 1.852% * 0.2454% (0.28 1.0 10.00 0.02 0.02) = 0.245% T HB3 MET 97 - HG3 GLN 102 1.852% * 0.1900% (0.21 1.0 10.00 0.02 0.02) = 0.190% T HG3 ARG+ 84 - HG3 MET 97 1.852% * 0.1868% (0.21 1.0 10.00 0.02 0.02) = 0.187% T HG3 ARG+ 84 - HG3 MET 126 1.852% * 0.1776% (0.20 1.0 10.00 0.02 0.02) = 0.178% T HB3 LYS+ 66 - HG3 GLN 102 1.852% * 0.1430% (0.16 1.0 10.00 0.02 0.02) = 0.143% T HG3 ARG+ 84 - HG3 GLN 102 1.852% * 0.0907% (0.10 1.0 10.00 0.02 0.02) = 0.091% HD3 LYS+ 55 - HG2 MET 126 1.852% * 0.0720% (0.81 1.0 1.00 0.02 0.02) = 0.072% HB3 LYS+ 81 - HG2 MET 126 1.852% * 0.0630% (0.71 1.0 1.00 0.02 0.02) = 0.063% HD3 LYS+ 55 - HB VAL 99 1.852% * 0.0625% (0.70 1.0 1.00 0.02 0.02) = 0.063% HG2 PRO 52 - HG2 MET 126 1.852% * 0.0607% (0.68 1.0 1.00 0.02 0.02) = 0.061% HD3 LYS+ 55 - HG3 MET 97 1.852% * 0.0600% (0.67 1.0 1.00 0.02 0.02) = 0.060% HG13 ILE 19 - HB VAL 99 1.852% * 0.0597% (0.67 1.0 1.00 0.02 0.02) = 0.060% HD3 LYS+ 55 - HG3 MET 126 1.852% * 0.0570% (0.64 1.0 1.00 0.02 0.02) = 0.057% HB3 LYS+ 81 - HB VAL 99 1.852% * 0.0547% (0.61 1.0 1.00 0.02 0.36) = 0.055% HG2 PRO 52 - HB VAL 99 1.852% * 0.0527% (0.59 1.0 1.00 0.02 0.52) = 0.053% HB3 LYS+ 81 - HG3 MET 97 1.852% * 0.0525% (0.59 1.0 1.00 0.02 0.02) = 0.052% HB3 LYS+ 81 - HG3 MET 126 1.852% * 0.0499% (0.56 1.0 1.00 0.02 0.02) = 0.050% HB3 MET 97 - HG2 MET 126 1.852% * 0.0470% (0.53 1.0 1.00 0.02 0.02) = 0.047% HB3 MET 126 - HB VAL 99 1.852% * 0.0458% (0.51 1.0 1.00 0.02 0.02) = 0.046% HB3 MET 126 - HG3 MET 97 1.852% * 0.0439% (0.49 1.0 1.00 0.02 0.02) = 0.044% HB3 MET 97 - HB VAL 99 1.852% * 0.0408% (0.46 1.0 1.00 0.02 1.69) = 0.041% HB ILE 100 - HG2 MET 126 1.852% * 0.0382% (0.43 1.0 1.00 0.02 0.02) = 0.038% HB3 LYS+ 66 - HG2 MET 126 1.852% * 0.0354% (0.40 1.0 1.00 0.02 0.02) = 0.035% HD3 LYS+ 55 - HG2 GLN 102 1.852% * 0.0328% (0.37 1.0 1.00 0.02 0.02) = 0.033% HB ILE 100 - HG3 MET 97 1.852% * 0.0318% (0.36 1.0 1.00 0.02 0.02) = 0.032% HG13 ILE 19 - HG2 GLN 102 1.852% * 0.0313% (0.35 1.0 1.00 0.02 0.02) = 0.031% HB3 LYS+ 66 - HB VAL 99 1.852% * 0.0307% (0.34 1.0 1.00 0.02 0.02) = 0.031% HB ILE 100 - HG3 MET 126 1.852% * 0.0303% (0.34 1.0 1.00 0.02 0.02) = 0.030% HD3 LYS+ 55 - HG3 GLN 102 1.852% * 0.0291% (0.33 1.0 1.00 0.02 0.02) = 0.029% HB3 LYS+ 81 - HG2 GLN 102 1.852% * 0.0287% (0.32 1.0 1.00 0.02 0.02) = 0.029% HG13 ILE 19 - HG3 GLN 102 1.852% * 0.0278% (0.31 1.0 1.00 0.02 0.02) = 0.028% HG2 PRO 52 - HG2 GLN 102 1.852% * 0.0277% (0.31 1.0 1.00 0.02 0.02) = 0.028% HB3 LYS+ 81 - HG3 GLN 102 1.852% * 0.0255% (0.29 1.0 1.00 0.02 0.02) = 0.025% HB3 MET 126 - HG2 GLN 102 1.852% * 0.0240% (0.27 1.0 1.00 0.02 0.02) = 0.024% HG3 ARG+ 84 - HG2 MET 126 1.852% * 0.0224% (0.25 1.0 1.00 0.02 0.02) = 0.022% HB3 MET 97 - HG2 GLN 102 1.852% * 0.0214% (0.24 1.0 1.00 0.02 0.02) = 0.021% HB3 MET 126 - HG3 GLN 102 1.852% * 0.0213% (0.24 1.0 1.00 0.02 0.02) = 0.021% HG3 ARG+ 84 - HB VAL 99 1.852% * 0.0195% (0.22 1.0 1.00 0.02 0.02) = 0.019% HB ILE 100 - HG2 GLN 102 1.852% * 0.0174% (0.20 1.0 1.00 0.02 0.14) = 0.017% HB3 LYS+ 66 - HG2 GLN 102 1.852% * 0.0161% (0.18 1.0 1.00 0.02 0.02) = 0.016% HB ILE 100 - HG3 GLN 102 1.852% * 0.0155% (0.17 1.0 1.00 0.02 0.14) = 0.015% HG3 ARG+ 84 - HG2 GLN 102 1.852% * 0.0102% (0.11 1.0 1.00 0.02 0.02) = 0.010% Peak 4042 (8.96, 2.28, 34.06 ppm): 6 chemical-shift based assignments, quality = 0.0649, support = 2.93, residual support = 10.9: HN LEU 17 - HG3 GLN 16 16.667% * 55.0710% (0.07 3.96 18.76) = 55.071% kept HN ILE 19 - HG3 GLN 16 16.667% * 25.3877% (0.06 2.02 1.50) = 25.388% kept HN MET 97 - HG3 GLN 16 16.667% * 19.1446% (0.07 1.27 0.96) = 19.145% kept HN ARG+ 22 - HG3 GLN 16 16.667% * 0.1587% (0.04 0.02 0.02) = 0.159% HN THR 96 - HG3 GLN 16 16.667% * 0.1352% (0.03 0.02 0.02) = 0.135% HN PHE 21 - HG3 GLN 16 16.667% * 0.1029% (0.02 0.02 0.02) = 0.103% Peak 4043 (0.03, 1.66, 34.47 ppm): 2 chemical-shift based assignments, quality = 0.812, support = 1.47, residual support = 8.0: * T QG2 ILE 19 - HB3 MET 97 50.000% * 98.5515% (0.81 10.00 1.49 8.12) = 98.551% kept T QG2 ILE 19 - HB3 LYS+ 66 50.000% * 1.4485% (0.89 10.00 0.02 0.02) = 1.449% kept Peak 4044 (2.29, 0.02, 16.85 ppm): 9 chemical-shift based assignments, quality = 0.723, support = 0.903, residual support = 0.841: HG2 PRO 112 - QG2 ILE 19 11.111% * 43.1031% (0.94 0.91 1.03) = 43.103% kept HB3 PRO 112 - QG2 ILE 19 11.111% * 38.0294% (0.63 1.22 1.03) = 38.029% kept HB VAL 80 - QG2 ILE 19 11.111% * 6.9502% (0.37 0.37 0.02) = 6.950% kept HB3 LYS+ 117 - QG2 ILE 19 11.111% * 6.2108% (0.45 0.28 0.02) = 6.211% kept HB3 PRO 116 - QG2 ILE 19 11.111% * 3.5133% (0.73 0.10 0.02) = 3.513% kept HB2 LYS+ 44 - QG2 ILE 19 11.111% * 0.9640% (0.96 0.02 0.02) = 0.964% HG2 GLU- 64 - QG2 ILE 19 11.111% * 0.6462% (0.65 0.02 0.02) = 0.646% HG3 GLU- 75 - QG2 ILE 19 11.111% * 0.4478% (0.45 0.02 0.02) = 0.448% HG3 GLU- 54 - QG2 ILE 19 11.111% * 0.1352% (0.14 0.02 0.02) = 0.135% Peak 4045 (1.69, 1.66, 34.55 ppm): 2 diagonal assignments: HB3 MET 97 - HB3 MET 97 (0.26) kept * HB3 LYS+ 66 - HB3 LYS+ 66 (0.18) kept Peak 4046 (0.74, 1.66, 34.55 ppm): 16 chemical-shift based assignments, quality = 0.865, support = 3.23, residual support = 26.0: * O HG3 LYS+ 66 - HB3 LYS+ 66 6.250% * 80.6810% (0.90 10.0 3.56 30.59) = 80.681% kept QG2 VAL 65 - HB3 LYS+ 66 6.250% * 10.4762% (0.80 1.0 2.90 12.79) = 10.476% kept QD1 ILE 68 - HB3 LYS+ 66 6.250% * 3.6257% (0.75 1.0 1.08 0.02) = 3.626% kept HG3 LYS+ 44 - HB3 LYS+ 66 6.250% * 2.5119% (0.90 1.0 0.62 0.24) = 2.512% kept QD1 ILE 68 - HB3 MET 97 6.250% * 1.1611% (0.71 1.0 0.36 0.46) = 1.161% kept HG3 LYS+ 66 - HB3 MET 97 6.250% * 0.8569% (0.85 1.0 0.22 0.02) = 0.857% QG2 ILE 48 - HB3 LYS+ 66 6.250% * 0.2623% (0.50 1.0 0.12 0.02) = 0.262% HG3 LYS+ 44 - HB3 MET 97 6.250% * 0.0766% (0.85 1.0 0.02 0.02) = 0.077% QG2 VAL 65 - HB3 MET 97 6.250% * 0.0687% (0.76 1.0 0.02 0.02) = 0.069% QG1 VAL 40 - HB3 LYS+ 66 6.250% * 0.0646% (0.72 1.0 0.02 0.02) = 0.065% QG1 VAL 40 - HB3 MET 97 6.250% * 0.0614% (0.68 1.0 0.02 0.02) = 0.061% QG2 ILE 48 - HB3 MET 97 6.250% * 0.0429% (0.48 1.0 0.02 0.02) = 0.043% HG LEU 74 - HB3 LYS+ 66 6.250% * 0.0303% (0.34 1.0 0.02 0.16) = 0.030% HG LEU 74 - HB3 MET 97 6.250% * 0.0288% (0.32 1.0 0.02 1.03) = 0.029% QG2 ILE 101 - HB3 LYS+ 66 6.250% * 0.0266% (0.30 1.0 0.02 9.40) = 0.027% QG2 ILE 101 - HB3 MET 97 6.250% * 0.0252% (0.28 1.0 0.02 0.02) = 0.025% Peak 4047 (8.99, 1.89, 37.10 ppm): 2 chemical-shift based assignments, quality = 0.492, support = 4.4, residual support = 23.5: * HN ILE 19 - HG2 GLU- 18 50.000% * 93.1033% (0.51 4.66 25.23) = 93.103% kept HN MET 97 - HG2 GLU- 18 50.000% * 6.8967% (0.19 0.92 0.02) = 6.897% kept Peak 4048 (1.14, 2.21, 36.97 ppm): 12 chemical-shift based assignments, quality = 0.723, support = 2.16, residual support = 5.35: * QB ALA 33 - HG3 GLU- 18 8.333% * 54.3884% (0.73 2.89 8.16) = 54.388% kept HG3 LYS+ 32 - HG3 GLU- 18 8.333% * 32.8088% (0.78 1.64 2.77) = 32.809% kept HD3 LYS+ 111 - HG3 GLU- 18 8.333% * 8.6557% (0.70 0.48 0.02) = 8.656% kept QG2 THR 61 - HG3 GLU- 18 8.333% * 3.3884% (0.35 0.38 0.02) = 3.388% kept HG3 LYS+ 32 - HG3 GLU- 109 8.333% * 0.1471% (0.28 0.02 0.02) = 0.147% QB ALA 33 - HG3 GLU- 109 8.333% * 0.1382% (0.27 0.02 0.02) = 0.138% HG3 PRO 59 - HG3 GLU- 18 8.333% * 0.1341% (0.26 0.02 0.02) = 0.134% HD3 LYS+ 111 - HG3 GLU- 109 8.333% * 0.1331% (0.26 0.02 0.02) = 0.133% HB2 LEU 43 - HG3 GLU- 18 8.333% * 0.0670% (0.13 0.02 0.02) = 0.067% QG2 THR 61 - HG3 GLU- 109 8.333% * 0.0655% (0.13 0.02 0.02) = 0.065% HG3 PRO 59 - HG3 GLU- 109 8.333% * 0.0492% (0.10 0.02 0.02) = 0.049% HB2 LEU 43 - HG3 GLU- 109 8.333% * 0.0246% (0.05 0.02 0.02) = 0.025% Peak 4049 (8.19, 1.72, 31.20 ppm): 6 chemical-shift based assignments, quality = 0.47, support = 4.1, residual support = 50.6: * O HN GLN 16 - HB2 GLN 16 16.667% * 78.7344% (0.37 10.0 4.81 63.73) = 78.734% kept HN ALA 33 - HB2 GLN 16 16.667% * 17.9292% (0.98 1.0 1.71 2.54) = 17.929% kept HN VAL 94 - HB2 GLN 16 16.667% * 1.7489% (0.30 1.0 0.54 0.02) = 1.749% kept HN ALA 11 - HB2 GLN 16 16.667% * 0.9719% (0.48 1.0 0.19 0.02) = 0.972% HN GLU- 45 - HB2 GLN 16 16.667% * 0.5440% (0.55 1.0 0.09 0.02) = 0.544% HN VAL 105 - HB2 GLN 16 16.667% * 0.0716% (0.33 1.0 0.02 0.02) = 0.072% Peak 4050 (8.20, 1.89, 31.14 ppm): 6 chemical-shift based assignments, quality = 0.403, support = 3.87, residual support = 50.0: * O HN GLN 16 - HB3 GLN 16 16.667% * 77.7974% (0.29 10.0 4.67 63.73) = 77.797% kept HN ALA 33 - HB3 GLN 16 16.667% * 16.1634% (0.93 1.0 1.31 2.54) = 16.163% kept HN ALA 11 - HB3 GLN 16 16.667% * 2.6336% (0.54 1.0 0.37 0.02) = 2.634% kept HN VAL 94 - HB3 GLN 16 16.667% * 2.5552% (0.36 1.0 0.54 0.02) = 2.555% kept HN GLU- 45 - HB3 GLN 16 16.667% * 0.7468% (0.62 1.0 0.09 0.02) = 0.747% HN VAL 105 - HB3 GLN 16 16.667% * 0.1036% (0.39 1.0 0.02 0.02) = 0.104% Peak 4051 (1.76, 1.76, 31.42 ppm): 1 diagonal assignment: * HB3 GLU- 18 - HB3 GLU- 18 (0.19) kept Peak 4052 (2.02, 2.02, 31.43 ppm): 2 diagonal assignments: * HB2 GLU- 18 - HB2 GLU- 18 (0.38) kept HB3 GLU- 75 - HB3 GLU- 75 (0.17) kept Peak 4053 (8.74, 3.44, 66.51 ppm): 10 chemical-shift based assignments, quality = 0.403, support = 3.86, residual support = 30.4: O HN VAL 62 - HA VAL 62 10.000% * 81.2215% (0.43 10.0 4.21 32.46) = 81.221% kept * O HN VAL 40 - HA VAL 40 10.000% * 9.2844% (0.05 10.0 4.28 43.10) = 9.284% kept HN GLU- 56 - HA VAL 62 10.000% * 3.6137% (0.95 1.0 0.40 0.02) = 3.614% kept HN ILE 101 - HA VAL 40 10.000% * 2.6724% (0.36 1.0 0.78 0.59) = 2.672% kept HN GLU- 56 - HA VAL 40 10.000% * 1.8430% (0.36 1.0 0.54 0.53) = 1.843% kept HN ILE 101 - HA VAL 62 10.000% * 0.8181% (0.95 1.0 0.09 0.80) = 0.818% HN PHE 34 - HA VAL 62 10.000% * 0.4726% (0.27 1.0 0.19 0.02) = 0.473% HN VAL 62 - HA VAL 40 10.000% * 0.0308% (0.16 1.0 0.02 0.02) = 0.031% HN VAL 40 - HA VAL 62 10.000% * 0.0245% (0.13 1.0 0.02 0.02) = 0.025% HN PHE 34 - HA VAL 40 10.000% * 0.0191% (0.10 1.0 0.02 0.02) = 0.019% Peak 4054 (0.89, 0.90, 24.48 ppm): 1 diagonal assignment: * QG2 VAL 40 - QG2 VAL 40 (0.39) kept Peak 4055 (-0.04, 0.90, 24.48 ppm): 1 chemical-shift based assignment, quality = 0.473, support = 3.41, residual support = 11.5: * T QD1 LEU 74 - QG2 VAL 40 100.000% *100.0000% (0.47 10.00 3.41 11.48) = 100.000% kept Peak 4056 (0.90, 5.36, 60.06 ppm): 10 chemical-shift based assignments, quality = 0.747, support = 2.23, residual support = 10.2: QG1 VAL 80 - HA THR 79 10.000% * 31.1226% (0.69 3.03 16.14) = 31.123% kept * QG2 VAL 40 - HA THR 79 10.000% * 30.7813% (0.90 2.31 8.54) = 30.781% kept QG2 VAL 80 - HA THR 79 10.000% * 15.7959% (0.37 2.86 16.14) = 15.796% kept HG3 LYS+ 117 - HA THR 79 10.000% * 10.6889% (0.88 0.82 0.02) = 10.689% kept QG1 VAL 47 - HA THR 79 10.000% * 5.3331% (0.91 0.40 0.02) = 5.333% kept QD1 LEU 67 - HA THR 79 10.000% * 4.9822% (0.90 0.37 0.02) = 4.982% kept QG2 VAL 87 - HA THR 79 10.000% * 1.0356% (0.90 0.08 0.02) = 1.036% kept QG2 VAL 125 - HA THR 79 10.000% * 0.1105% (0.37 0.02 0.02) = 0.111% HG3 LYS+ 110 - HA THR 79 10.000% * 0.0830% (0.28 0.02 0.02) = 0.083% HG12 ILE 68 - HA THR 79 10.000% * 0.0670% (0.23 0.02 0.02) = 0.067% Peak 4057 (4.95, 2.05, 35.94 ppm): 8 chemical-shift based assignments, quality = 0.172, support = 5.05, residual support = 115.0: * O HA ILE 101 - HB ILE 101 12.500% * 89.1599% (0.16 10.0 5.62 128.96) = 89.160% kept HA ALA 33 - HB3 PRO 31 12.500% * 4.0807% (0.27 1.0 0.54 0.02) = 4.081% kept HA ILE 101 - HB3 PRO 31 12.500% * 3.4652% (0.34 1.0 0.37 0.35) = 3.465% kept HA HIS+ 98 - HB ILE 101 12.500% * 1.6296% (0.18 1.0 0.33 0.11) = 1.630% kept HA MET 97 - HB3 PRO 31 12.500% * 1.3457% (0.15 1.0 0.32 0.02) = 1.346% kept HA HIS+ 98 - HB3 PRO 31 12.500% * 0.2058% (0.37 1.0 0.02 0.02) = 0.206% HA ALA 33 - HB ILE 101 12.500% * 0.0722% (0.13 1.0 0.02 0.20) = 0.072% HA MET 97 - HB ILE 101 12.500% * 0.0409% (0.07 1.0 0.02 0.02) = 0.041% Peak 4058 (2.02, 2.01, 33.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HB VAL 65 - HB VAL 65 Peak unassigned. Peak 4059 (4.48, 0.71, 17.82 ppm): 20 chemical-shift based assignments, quality = 0.667, support = 3.58, residual support = 18.5: * HA ILE 100 - QG2 ILE 101 5.000% * 47.3161% (0.66 4.59 19.28) = 47.316% kept HA GLN 102 - QG2 ILE 101 5.000% * 35.8366% (0.66 3.48 25.73) = 35.837% kept HA LYS+ 32 - QG2 ILE 101 5.000% * 14.2249% (0.82 1.11 1.03) = 14.225% kept HA GLU- 50 - QG2 ILE 101 5.000% * 1.3100% (0.23 0.37 0.02) = 1.310% kept HA MET 126 - QG2 ILE 101 5.000% * 0.2434% (0.78 0.02 0.02) = 0.243% HA SER 77 - QG2 ILE 101 5.000% * 0.1767% (0.56 0.02 0.02) = 0.177% HA CYS 123 - QG2 ILE 101 5.000% * 0.1767% (0.56 0.02 0.02) = 0.177% HA LYS+ 32 - QG2 ILE 68 5.000% * 0.0938% (0.30 0.02 0.02) = 0.094% HA MET 126 - QG2 ILE 68 5.000% * 0.0887% (0.28 0.02 0.02) = 0.089% HB THR 79 - QG2 ILE 101 5.000% * 0.0878% (0.28 0.02 0.02) = 0.088% HA GLN 102 - QG2 ILE 68 5.000% * 0.0751% (0.24 0.02 0.02) = 0.075% HA ILE 100 - QG2 ILE 68 5.000% * 0.0751% (0.24 0.02 0.93) = 0.075% HA CYS 123 - QG2 ILE 68 5.000% * 0.0644% (0.21 0.02 0.02) = 0.064% HA SER 77 - QG2 ILE 68 5.000% * 0.0644% (0.21 0.02 0.02) = 0.064% HA LYS+ 55 - QG2 ILE 101 5.000% * 0.0397% (0.13 0.02 0.02) = 0.040% HA MET 118 - QG2 ILE 101 5.000% * 0.0397% (0.13 0.02 0.02) = 0.040% HB THR 79 - QG2 ILE 68 5.000% * 0.0320% (0.10 0.02 0.02) = 0.032% HA GLU- 50 - QG2 ILE 68 5.000% * 0.0261% (0.08 0.02 0.02) = 0.026% HA LYS+ 55 - QG2 ILE 68 5.000% * 0.0145% (0.05 0.02 0.02) = 0.014% HA MET 118 - QG2 ILE 68 5.000% * 0.0145% (0.05 0.02 0.02) = 0.014% Peak 4060 (6.74, 1.01, 23.11 ppm): 2 chemical-shift based assignments, quality = 0.884, support = 0.857, residual support = 1.76: * HZ3 TRP 51 - QG1 VAL 99 50.000% * 97.5710% (0.88 0.88 1.80) = 97.571% kept QE TYR 83 - QG1 VAL 99 50.000% * 2.4290% (0.96 0.02 0.02) = 2.429% kept Peak 4061 (7.21, 1.01, 23.11 ppm): 2 chemical-shift based assignments, quality = 0.816, support = 0.944, residual support = 1.8: HN TRP 51 - QG1 VAL 99 50.000% * 53.2615% (0.97 0.81 1.80) = 53.261% kept HH2 TRP 51 - QG1 VAL 99 50.000% * 46.7385% (0.64 1.09 1.80) = 46.739% kept Peak 4062 (0.84, 0.29, 23.82 ppm): 18 chemical-shift based assignments, quality = 0.806, support = 0.88, residual support = 8.8: * T QD1 ILE 29 - QD2 LEU 23 5.556% * 59.8597% (0.81 10.00 1.25 14.54) = 59.860% kept T QD1 ILE 29 - QG1 VAL 122 5.556% * 21.5796% (0.86 10.00 0.42 0.45) = 21.580% kept T QG1 VAL 13 - QD2 LEU 23 5.556% * 13.2877% (0.81 10.00 0.28 0.02) = 13.288% kept QG2 VAL 13 - QD2 LEU 23 5.556% * 1.7837% (0.89 1.00 0.34 0.02) = 1.784% kept T QG1 VAL 13 - QG1 VAL 122 5.556% * 1.0162% (0.86 10.00 0.02 0.02) = 1.016% kept QG2 VAL 13 - QG1 VAL 122 5.556% * 0.6907% (0.94 1.00 0.12 0.02) = 0.691% QD2 LEU 90 - QD2 LEU 23 5.556% * 0.6163% (0.26 1.00 0.40 0.15) = 0.616% QD2 LEU 17 - QG1 VAL 122 5.556% * 0.3707% (0.37 1.00 0.17 0.02) = 0.371% QG2 ILE 100 - QD2 LEU 23 5.556% * 0.2743% (0.21 1.00 0.22 3.44) = 0.274% HG2 LYS+ 117 - QG1 VAL 122 5.556% * 0.1161% (0.98 1.00 0.02 0.02) = 0.116% HG2 LYS+ 117 - QD2 LEU 23 5.556% * 0.1098% (0.93 1.00 0.02 0.02) = 0.110% QG1 VAL 94 - QG1 VAL 122 5.556% * 0.0711% (0.60 1.00 0.02 0.02) = 0.071% QG1 VAL 94 - QD2 LEU 23 5.556% * 0.0672% (0.57 1.00 0.02 0.02) = 0.067% QD2 LEU 17 - QD2 LEU 23 5.556% * 0.0416% (0.35 1.00 0.02 0.13) = 0.042% QD2 LEU 90 - QG1 VAL 122 5.556% * 0.0326% (0.28 1.00 0.02 0.02) = 0.033% QD1 LEU 90 - QG1 VAL 122 5.556% * 0.0292% (0.25 1.00 0.02 0.02) = 0.029% QD1 LEU 90 - QD2 LEU 23 5.556% * 0.0276% (0.23 1.00 0.02 0.15) = 0.028% QG2 ILE 100 - QG1 VAL 122 5.556% * 0.0261% (0.22 1.00 0.02 0.02) = 0.026% Peak 4063 (4.20, 2.01, 33.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HA VAL 65 - HB VAL 65 Peak unassigned. Peak 4064 (8.30, 5.98, 53.57 ppm): 6 chemical-shift based assignments, quality = 0.625, support = 3.59, residual support = 37.0: * O HN ASP- 28 - HA ASP- 28 16.667% * 97.7949% (0.62 10.0 3.67 37.87) = 97.795% kept HN ALA 91 - HA ASP- 28 16.667% * 1.9793% (0.90 1.0 0.28 0.02) = 1.979% kept HN VAL 99 - HA ASP- 28 16.667% * 0.0978% (0.62 1.0 0.02 0.44) = 0.098% HN ASN 76 - HA ASP- 28 16.667% * 0.0486% (0.31 1.0 0.02 0.02) = 0.049% HN ASN 89 - HA ASP- 28 16.667% * 0.0439% (0.28 1.0 0.02 0.02) = 0.044% HN GLY 114 - HA ASP- 28 16.667% * 0.0355% (0.23 1.0 0.02 0.02) = 0.036% Peak 4065 (8.33, 1.45, 27.27 ppm): 21 chemical-shift based assignments, quality = 0.726, support = 1.26, residual support = 2.12: HN GLY 114 - HG2 PRO 59 4.762% * 34.2229% (0.92 1.34 0.99) = 34.223% kept HN ASN 76 - HG2 PRO 59 4.762% * 24.0302% (0.88 0.99 0.46) = 24.030% kept HN GLU- 50 - HG2 PRO 59 4.762% * 22.7917% (0.75 1.10 0.81) = 22.792% kept HN ALA 91 - HG LEU 90 4.762% * 9.7688% (0.14 2.58 15.11) = 9.769% kept HN GLU- 50 - HG3 PRO 52 4.762% * 3.4194% (0.10 1.18 0.30) = 3.419% kept HN ASN 76 - HG3 PRO 52 4.762% * 2.2953% (0.12 0.67 0.02) = 2.295% kept HN VAL 99 - HG2 PRO 59 4.762% * 1.2741% (0.60 0.08 0.02) = 1.274% kept HN GLY 114 - HG LEU 90 4.762% * 0.4290% (0.78 0.02 0.02) = 0.429% HN ASN 76 - HG LEU 90 4.762% * 0.4095% (0.74 0.02 0.02) = 0.409% HN GLU- 50 - HG LEU 90 4.762% * 0.3466% (0.63 0.02 0.02) = 0.347% HN VAL 99 - HG LEU 90 4.762% * 0.2800% (0.51 0.02 0.02) = 0.280% HN GLU- 109 - HG2 PRO 59 4.762% * 0.1433% (0.26 0.02 0.02) = 0.143% HN GLU- 109 - HG LEU 90 4.762% * 0.1204% (0.22 0.02 0.02) = 0.120% HN ALA 103 - HG2 PRO 59 4.762% * 0.1148% (0.21 0.02 0.02) = 0.115% HN ALA 103 - HG LEU 90 4.762% * 0.0964% (0.17 0.02 0.02) = 0.096% HN ALA 91 - HG2 PRO 59 4.762% * 0.0903% (0.16 0.02 0.02) = 0.090% HN GLY 114 - HG3 PRO 52 4.762% * 0.0717% (0.13 0.02 0.02) = 0.072% HN VAL 99 - HG3 PRO 52 4.762% * 0.0468% (0.08 0.02 0.52) = 0.047% HN GLU- 109 - HG3 PRO 52 4.762% * 0.0201% (0.04 0.02 0.02) = 0.020% HN ALA 103 - HG3 PRO 52 4.762% * 0.0161% (0.03 0.02 0.02) = 0.016% HN ALA 91 - HG3 PRO 52 4.762% * 0.0127% (0.02 0.02 0.50) = 0.013% Peak 4068 (7.89, 1.56, 42.51 ppm): 8 chemical-shift based assignments, quality = 0.749, support = 3.42, residual support = 18.4: * O HN LEU 90 - HB3 LEU 90 12.500% * 94.4238% (0.78 10.0 3.55 19.40) = 94.424% kept HD22 ASN 89 - HB3 LEU 90 12.500% * 2.5909% (0.32 1.0 1.34 4.40) = 2.591% kept HN LEU 90 - HB ILE 19 12.500% * 1.9715% (0.21 1.0 1.57 0.29) = 1.971% kept HN THR 38 - HB3 LEU 90 12.500% * 0.8579% (0.23 1.0 0.61 0.02) = 0.858% HN LYS+ 44 - HB3 LEU 90 12.500% * 0.1091% (0.90 1.0 0.02 0.02) = 0.109% HN LYS+ 44 - HB ILE 19 12.500% * 0.0290% (0.24 1.0 0.02 0.02) = 0.029% HD22 ASN 89 - HB ILE 19 12.500% * 0.0103% (0.08 1.0 0.02 0.02) = 0.010% HN THR 38 - HB ILE 19 12.500% * 0.0075% (0.06 1.0 0.02 0.02) = 0.007% Peak 4069 (1.61, 1.62, 42.50 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 4070 (7.84, 1.38, 19.93 ppm): 9 chemical-shift based assignments, quality = 0.191, support = 0.868, residual support = 1.92: HN THR 38 - QB ALA 37 11.111% * 35.7873% (0.03 2.16 5.32) = 35.787% kept HN LYS+ 63 - QB ALA 93 11.111% * 24.8927% (0.51 0.08 0.02) = 24.893% kept HN LYS+ 63 - QB ALA 37 11.111% * 24.0574% (0.15 0.26 0.02) = 24.057% kept HN LYS+ 55 - QB ALA 93 11.111% * 10.3681% (0.13 0.13 0.02) = 10.368% kept HN LYS+ 63 - QB ALA 11 11.111% * 2.3075% (0.19 0.02 0.02) = 2.307% kept HN THR 38 - QB ALA 93 11.111% * 1.1055% (0.09 0.02 0.02) = 1.105% kept HN LYS+ 55 - QB ALA 11 11.111% * 0.5922% (0.05 0.02 0.02) = 0.592% HN LYS+ 55 - QB ALA 37 11.111% * 0.4787% (0.04 0.02 0.02) = 0.479% HN THR 38 - QB ALA 11 11.111% * 0.4104% (0.03 0.02 0.02) = 0.410% Reference assignment not found: HN ALA 93 - QB ALA 93 Not enough quality. Peak unassigned. Peak 4071 (8.22, 1.38, 19.93 ppm): 30 chemical-shift based assignments, quality = 0.297, support = 2.27, residual support = 7.31: O HN ALA 11 - QB ALA 11 3.333% * 52.8264% (0.16 10.0 1.61 5.61) = 52.826% kept * HN VAL 94 - QB ALA 93 3.333% * 38.2904% (0.52 1.0 3.50 11.08) = 38.290% kept HN GLU- 12 - QB ALA 11 3.333% * 4.1820% (0.11 1.0 1.76 2.35) = 4.182% kept HN VAL 105 - QB ALA 93 3.333% * 1.6890% (0.51 1.0 0.16 0.02) = 1.689% kept HN ALA 11 - QB ALA 93 3.333% * 0.9720% (0.42 1.0 0.11 0.02) = 0.972% HN SER 49 - QB ALA 93 3.333% * 0.2187% (0.52 1.0 0.02 0.28) = 0.219% HN GLY 58 - QB ALA 93 3.333% * 0.1864% (0.45 1.0 0.02 0.02) = 0.186% HN LYS+ 81 - QB ALA 93 3.333% * 0.1578% (0.38 1.0 0.02 0.11) = 0.158% HN GLU- 45 - QB ALA 93 3.333% * 0.1578% (0.38 1.0 0.02 0.02) = 0.158% HN LEU 67 - QB ALA 93 3.333% * 0.1578% (0.38 1.0 0.02 0.02) = 0.158% HN GLU- 12 - QB ALA 93 3.333% * 0.1283% (0.31 1.0 0.02 0.13) = 0.128% HN VAL 94 - QB ALA 11 3.333% * 0.0812% (0.19 1.0 0.02 0.02) = 0.081% HN SER 49 - QB ALA 11 3.333% * 0.0812% (0.19 1.0 0.02 0.24) = 0.081% HN VAL 105 - QB ALA 11 3.333% * 0.0786% (0.19 1.0 0.02 0.02) = 0.079% HN GLY 58 - QB ALA 11 3.333% * 0.0692% (0.17 1.0 0.02 0.02) = 0.069% HN SER 49 - QB ALA 37 3.333% * 0.0656% (0.16 1.0 0.02 0.02) = 0.066% HN VAL 94 - QB ALA 37 3.333% * 0.0656% (0.16 1.0 0.02 0.02) = 0.066% HN VAL 105 - QB ALA 37 3.333% * 0.0635% (0.15 1.0 0.02 0.02) = 0.063% HN LYS+ 81 - QB ALA 11 3.333% * 0.0586% (0.14 1.0 0.02 0.02) = 0.059% HN LEU 67 - QB ALA 11 3.333% * 0.0586% (0.14 1.0 0.02 0.02) = 0.059% HN GLU- 45 - QB ALA 11 3.333% * 0.0586% (0.14 1.0 0.02 0.88) = 0.059% HN GLY 58 - QB ALA 37 3.333% * 0.0559% (0.13 1.0 0.02 0.02) = 0.056% HN ALA 11 - QB ALA 37 3.333% * 0.0532% (0.13 1.0 0.02 0.02) = 0.053% HN GLU- 45 - QB ALA 37 3.333% * 0.0474% (0.11 1.0 0.02 0.02) = 0.047% HN LYS+ 81 - QB ALA 37 3.333% * 0.0474% (0.11 1.0 0.02 0.02) = 0.047% HN LEU 67 - QB ALA 37 3.333% * 0.0474% (0.11 1.0 0.02 0.02) = 0.047% HN GLU- 12 - QB ALA 37 3.333% * 0.0385% (0.09 1.0 0.02 0.02) = 0.039% HN THR 106 - QB ALA 93 3.333% * 0.0376% (0.09 1.0 0.02 0.02) = 0.038% HN THR 106 - QB ALA 11 3.333% * 0.0140% (0.03 1.0 0.02 0.02) = 0.014% HN THR 106 - QB ALA 37 3.333% * 0.0113% (0.03 1.0 0.02 0.02) = 0.011% Peak 4072 (1.39, 1.38, 19.93 ppm): 3 diagonal assignments: * QB ALA 93 - QB ALA 93 (0.35) kept QB ALA 11 - QB ALA 11 (0.07) kept QB ALA 37 - QB ALA 37 (0.07) kept Peak 4073 (8.22, 4.31, 52.81 ppm): 10 chemical-shift based assignments, quality = 0.792, support = 2.9, residual support = 10.9: * O HN VAL 94 - HA ALA 93 10.000% * 98.6869% (0.80 10.0 2.94 11.08) = 98.687% kept HN VAL 105 - HA ALA 93 10.000% * 0.7620% (0.78 1.0 0.16 0.02) = 0.762% HN SER 49 - HA ALA 93 10.000% * 0.0987% (0.80 1.0 0.02 0.28) = 0.099% HN GLY 58 - HA ALA 93 10.000% * 0.0841% (0.68 1.0 0.02 0.02) = 0.084% HN ALA 11 - HA ALA 93 10.000% * 0.0799% (0.65 1.0 0.02 0.02) = 0.080% HN LYS+ 81 - HA ALA 93 10.000% * 0.0712% (0.58 1.0 0.02 0.11) = 0.071% HN GLU- 45 - HA ALA 93 10.000% * 0.0712% (0.58 1.0 0.02 0.02) = 0.071% HN LEU 67 - HA ALA 93 10.000% * 0.0712% (0.58 1.0 0.02 0.02) = 0.071% HN GLU- 12 - HA ALA 93 10.000% * 0.0579% (0.47 1.0 0.02 0.13) = 0.058% HN THR 106 - HA ALA 93 10.000% * 0.0170% (0.14 1.0 0.02 0.02) = 0.017% Peak 4075 (1.78, 3.16, 43.82 ppm): 10 chemical-shift based assignments, quality = 0.766, support = 2.88, residual support = 55.0: O HB2 ARG+ 84 - HD3 ARG+ 84 10.000% * 34.7502% (0.78 10.0 1.00 4.09 78.16) = 34.750% kept * O HG2 ARG+ 84 - HD3 ARG+ 84 10.000% * 34.5193% (0.77 10.0 1.00 2.73 78.16) = 34.519% kept T HB3 GLU- 18 - HD3 ARG+ 84 10.000% * 29.7715% (0.77 1.0 10.00 1.74 3.05) = 29.771% kept HB2 LEU 17 - HD3 ARG+ 84 10.000% * 0.8206% (0.22 1.0 1.00 1.69 1.76) = 0.821% HG3 ARG+ 53 - HD3 ARG+ 84 10.000% * 0.0336% (0.75 1.0 1.00 0.02 0.02) = 0.034% HG3 LYS+ 63 - HD3 ARG+ 84 10.000% * 0.0302% (0.68 1.0 1.00 0.02 0.02) = 0.030% HG2 PRO 31 - HD3 ARG+ 84 10.000% * 0.0291% (0.65 1.0 1.00 0.02 0.02) = 0.029% HB3 LYS+ 108 - HD3 ARG+ 84 10.000% * 0.0156% (0.35 1.0 1.00 0.02 0.02) = 0.016% HB3 LYS+ 63 - HD3 ARG+ 84 10.000% * 0.0156% (0.35 1.0 1.00 0.02 0.02) = 0.016% HD3 PRO 59 - HD3 ARG+ 84 10.000% * 0.0143% (0.32 1.0 1.00 0.02 0.02) = 0.014% Peak 4076 (1.66, 3.16, 43.82 ppm): 9 chemical-shift based assignments, quality = 0.771, support = 3.61, residual support = 75.2: * O T HG3 ARG+ 84 - HD3 ARG+ 84 11.111% * 96.0385% (0.78 10.0 10.00 3.74 78.16) = 96.039% kept HB3 LYS+ 81 - HD3 ARG+ 84 11.111% * 2.1844% (0.47 1.0 1.00 0.75 6.94) = 2.184% kept HB3 LYS+ 66 - HD3 ARG+ 84 11.111% * 1.4319% (0.74 1.0 1.00 0.32 0.02) = 1.432% kept HB ILE 100 - HD3 ARG+ 84 11.111% * 0.0887% (0.72 1.0 1.00 0.02 0.02) = 0.089% HB3 MET 97 - HD3 ARG+ 84 11.111% * 0.0802% (0.65 1.0 1.00 0.02 0.02) = 0.080% HB3 MET 126 - HD3 ARG+ 84 11.111% * 0.0734% (0.60 1.0 1.00 0.02 0.02) = 0.073% HG2 ARG+ 22 - HD3 ARG+ 84 11.111% * 0.0621% (0.51 1.0 1.00 0.02 0.02) = 0.062% HD3 LYS+ 55 - HD3 ARG+ 84 11.111% * 0.0239% (0.19 1.0 1.00 0.02 0.02) = 0.024% HG13 ILE 19 - HD3 ARG+ 84 11.111% * 0.0168% (0.14 1.0 1.00 0.02 0.02) = 0.017% Peak 4077 (4.28, 4.28, 56.51 ppm): 4 diagonal assignments: * HA ARG+ 84 - HA ARG+ 84 (0.44) kept HA ASN 119 - HA ASN 119 (0.13) kept HA ASN 76 - HA ASN 76 (0.10) kept HA GLU- 107 - HA GLU- 107 (0.05) kept Peak 4078 (7.33, 4.28, 56.51 ppm): 36 chemical-shift based assignments, quality = 0.347, support = 4.17, residual support = 60.7: * O HN ARG+ 84 - HA ARG+ 84 2.778% * 77.0846% (0.33 10.0 5.02 78.16) = 77.085% kept QD PHE 34 - HA ARG+ 84 2.778% * 9.1935% (0.38 1.0 2.07 2.40) = 9.193% kept HZ PHE 34 - HA ARG+ 84 2.778% * 6.7227% (0.45 1.0 1.29 2.40) = 6.723% kept QE PHE 34 - HA ARG+ 84 2.778% * 2.6436% (0.45 1.0 0.51 2.40) = 2.644% kept HZ2 TRP 51 - HA ARG+ 84 2.778% * 2.5778% (0.45 1.0 0.50 1.04) = 2.578% kept HN VAL 47 - HA ARG+ 84 2.778% * 0.3837% (0.35 1.0 0.09 0.02) = 0.384% HZ2 TRP 51 - HA ASN 119 2.778% * 0.1081% (0.47 1.0 0.02 0.02) = 0.108% QE PHE 34 - HA ASN 119 2.778% * 0.1081% (0.47 1.0 0.02 0.02) = 0.108% HZ PHE 34 - HA ASN 119 2.778% * 0.1081% (0.47 1.0 0.02 0.02) = 0.108% QE PHE 34 - HA ASN 76 2.778% * 0.0943% (0.41 1.0 0.02 0.02) = 0.094% HZ PHE 34 - HA ASN 76 2.778% * 0.0943% (0.41 1.0 0.02 0.02) = 0.094% HZ2 TRP 51 - HA ASN 76 2.778% * 0.0943% (0.41 1.0 0.02 0.02) = 0.094% QD PHE 34 - HA ASN 119 2.778% * 0.0921% (0.40 1.0 0.02 0.02) = 0.092% HN VAL 47 - HA ASN 119 2.778% * 0.0843% (0.37 1.0 0.02 0.26) = 0.084% QD PHE 34 - HA ASN 76 2.778% * 0.0804% (0.35 1.0 0.02 0.02) = 0.080% HN ARG+ 84 - HA ASN 119 2.778% * 0.0801% (0.35 1.0 0.02 0.02) = 0.080% HN VAL 47 - HA ASN 76 2.778% * 0.0735% (0.32 1.0 0.02 0.02) = 0.074% HN ARG+ 84 - HA ASN 76 2.778% * 0.0699% (0.30 1.0 0.02 0.02) = 0.070% HZ2 TRP 51 - HA GLU- 107 2.778% * 0.0387% (0.17 1.0 0.02 0.02) = 0.039% HZ PHE 34 - HA GLU- 107 2.778% * 0.0387% (0.17 1.0 0.02 0.02) = 0.039% QE PHE 34 - HA GLU- 107 2.778% * 0.0387% (0.17 1.0 0.02 0.02) = 0.039% QD PHE 34 - HA GLU- 107 2.778% * 0.0330% (0.14 1.0 0.02 0.02) = 0.033% HN VAL 47 - HA GLU- 107 2.778% * 0.0302% (0.13 1.0 0.02 0.02) = 0.030% HN ARG+ 84 - HA GLU- 107 2.778% * 0.0287% (0.12 1.0 0.02 0.02) = 0.029% HZ2 TRP 51 - HA GLU- 10 2.778% * 0.0093% (0.04 1.0 0.02 0.02) = 0.009% QE PHE 34 - HA GLU- 10 2.778% * 0.0093% (0.04 1.0 0.02 0.02) = 0.009% HZ PHE 34 - HA GLU- 10 2.778% * 0.0093% (0.04 1.0 0.02 0.02) = 0.009% HZ PHE 34 - HA LYS+ 108 2.778% * 0.0090% (0.04 1.0 0.02 0.02) = 0.009% HZ2 TRP 51 - HA LYS+ 108 2.778% * 0.0090% (0.04 1.0 0.02 0.02) = 0.009% QE PHE 34 - HA LYS+ 108 2.778% * 0.0090% (0.04 1.0 0.02 0.02) = 0.009% QD PHE 34 - HA GLU- 10 2.778% * 0.0080% (0.03 1.0 0.02 0.02) = 0.008% QD PHE 34 - HA LYS+ 108 2.778% * 0.0077% (0.03 1.0 0.02 0.02) = 0.008% HN VAL 47 - HA GLU- 10 2.778% * 0.0073% (0.03 1.0 0.02 0.02) = 0.007% HN VAL 47 - HA LYS+ 108 2.778% * 0.0070% (0.03 1.0 0.02 0.02) = 0.007% HN ARG+ 84 - HA GLU- 10 2.778% * 0.0069% (0.03 1.0 0.02 0.02) = 0.007% HN ARG+ 84 - HA LYS+ 108 2.778% * 0.0067% (0.03 1.0 0.02 0.02) = 0.007% Peak 4079 (7.66, 3.16, 43.82 ppm): 2 chemical-shift based assignments, quality = 0.773, support = 3.64, residual support = 13.8: * HN TYR 83 - HD3 ARG+ 84 50.000% * 99.8463% (0.77 3.64 13.82) = 99.846% kept HD21 ASN 89 - HD3 ARG+ 84 50.000% * 0.1537% (0.22 0.02 0.02) = 0.154% Peak 4080 (4.80, 3.16, 43.82 ppm): 4 chemical-shift based assignments, quality = 0.496, support = 1.32, residual support = 2.16: HA GLU- 18 - HD3 ARG+ 84 25.000% * 67.4393% (0.51 1.60 3.05) = 67.439% kept HB THR 39 - HD3 ARG+ 84 25.000% * 30.7527% (0.47 0.78 0.33) = 30.753% kept HA LEU 23 - HD3 ARG+ 84 25.000% * 1.2738% (0.77 0.02 0.02) = 1.274% kept HA ASN 15 - HD3 ARG+ 84 25.000% * 0.5342% (0.32 0.02 0.02) = 0.534% Peak 4081 (8.25, 1.29, 24.93 ppm): 16 chemical-shift based assignments, quality = 0.44, support = 2.92, residual support = 26.6: * HN LYS+ 81 - HG2 LYS+ 81 6.250% * 50.4729% (0.42 4.98 51.84) = 50.473% kept HN THR 106 - HG2 LYS+ 81 6.250% * 17.7514% (0.53 1.39 2.05) = 17.751% kept HN GLU- 12 - HG2 LYS+ 81 6.250% * 8.6151% (0.48 0.75 0.24) = 8.615% kept HN LYS+ 81 - HG2 LYS+ 32 6.250% * 6.4628% (0.46 0.58 0.02) = 6.463% kept HN LEU 67 - HG2 LYS+ 32 6.250% * 4.8459% (0.46 0.44 0.02) = 4.846% kept HN ASP- 115 - HG2 LYS+ 81 6.250% * 4.3708% (0.51 0.36 0.02) = 4.371% kept HN GLY 58 - HG2 LYS+ 32 6.250% * 3.5244% (0.39 0.37 0.02) = 3.524% kept HN SER 49 - HG2 LYS+ 32 6.250% * 2.3132% (0.29 0.33 0.02) = 2.313% kept HN THR 106 - HG2 LYS+ 32 6.250% * 0.2809% (0.58 0.02 0.02) = 0.281% HN ASN 89 - HG2 LYS+ 81 6.250% * 0.2802% (0.11 0.11 0.02) = 0.280% HN ASP- 115 - HG2 LYS+ 32 6.250% * 0.2687% (0.55 0.02 0.02) = 0.269% HN GLU- 12 - HG2 LYS+ 32 6.250% * 0.2525% (0.52 0.02 0.02) = 0.252% HN LEU 67 - HG2 LYS+ 81 6.250% * 0.2028% (0.42 0.02 0.02) = 0.203% HN GLY 58 - HG2 LYS+ 81 6.250% * 0.1717% (0.35 0.02 0.02) = 0.172% HN SER 49 - HG2 LYS+ 81 6.250% * 0.1292% (0.27 0.02 0.02) = 0.129% HN ASN 89 - HG2 LYS+ 32 6.250% * 0.0576% (0.12 0.02 0.02) = 0.058% Peak 4082 (1.28, 3.69, 59.61 ppm): 6 chemical-shift based assignments, quality = 0.9, support = 3.57, residual support = 43.9: * O T HG2 LYS+ 81 - HA LYS+ 81 16.667% * 84.6129% (0.92 10.0 10.00 4.16 51.84) = 84.613% kept T HG2 LYS+ 32 - HA LYS+ 81 16.667% * 11.9213% (0.84 1.0 10.00 0.31 0.02) = 11.921% kept HB3 LEU 74 - HA LYS+ 81 16.667% * 2.7060% (0.93 1.0 1.00 0.63 0.30) = 2.706% kept HB2 LYS+ 55 - HA LYS+ 81 16.667% * 0.6541% (0.49 1.0 1.00 0.29 0.02) = 0.654% HG13 ILE 101 - HA LYS+ 81 16.667% * 0.0817% (0.88 1.0 1.00 0.02 0.02) = 0.082% QB ALA 103 - HA LYS+ 81 16.667% * 0.0240% (0.26 1.0 1.00 0.02 0.02) = 0.024% Peak 4083 (1.35, 1.34, 25.00 ppm): 1 diagonal assignment: * HG3 LYS+ 81 - HG3 LYS+ 81 (0.22) kept Peak 4084 (1.29, 1.29, 24.93 ppm): 2 diagonal assignments: * HG2 LYS+ 81 - HG2 LYS+ 81 (0.48) kept HG2 LYS+ 32 - HG2 LYS+ 32 (0.29) kept Peak 4085 (4.80, 0.91, 20.50 ppm): 4 chemical-shift based assignments, quality = 0.113, support = 0.02, residual support = 0.02: HA LEU 23 - QG2 VAL 125 25.000% * 37.0621% (0.15 0.02 0.02) = 37.062% kept HA GLU- 18 - QG2 VAL 125 25.000% * 24.4600% (0.10 0.02 0.02) = 24.460% kept HB THR 39 - QG2 VAL 125 25.000% * 22.9334% (0.09 0.02 0.02) = 22.933% kept HA ASN 15 - QG2 VAL 125 25.000% * 15.5445% (0.06 0.02 0.02) = 15.544% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 4086 (4.18, 0.91, 20.50 ppm): 6 chemical-shift based assignments, quality = 0.143, support = 0.189, residual support = 0.02: HB3 SER 49 - QG2 VAL 125 16.667% * 37.3555% (0.14 0.24 0.02) = 37.355% kept HA VAL 73 - QG2 VAL 125 16.667% * 30.1464% (0.15 0.18 0.02) = 30.146% kept HA VAL 65 - QG2 VAL 125 16.667% * 26.3767% (0.14 0.17 0.02) = 26.377% kept HA VAL 105 - QG2 VAL 125 16.667% * 2.4786% (0.11 0.02 0.02) = 2.479% kept HB THR 106 - QG2 VAL 125 16.667% * 2.4786% (0.11 0.02 0.02) = 2.479% kept HA VAL 87 - QG2 VAL 125 16.667% * 1.1643% (0.05 0.02 0.02) = 1.164% kept Reference assignment not found: HA VAL 87 - QG2 VAL 87 Not enough support, support cutoff is 0.27 Peak unassigned. Peak 4087 (2.11, 0.91, 20.50 ppm): 13 chemical-shift based assignments, quality = 0.0998, support = 0.632, residual support = 0.324: O HB VAL 125 - QG2 VAL 125 7.692% * 41.4245% (0.04 10.0 1.00 1.00 0.72) = 41.424% kept T HB3 GLU- 75 - QG2 VAL 125 7.692% * 40.1947% (0.15 1.0 10.00 0.26 0.02) = 40.195% kept HB3 LEU 43 - QG2 VAL 125 7.692% * 13.3968% (0.15 1.0 1.00 0.85 0.14) = 13.397% kept T HB2 GLU- 56 - QG2 VAL 125 7.692% * 3.2932% (0.15 1.0 10.00 0.02 0.02) = 3.293% kept HB VAL 87 - QG2 VAL 125 7.692% * 0.3315% (0.16 1.0 1.00 0.02 0.02) = 0.332% HG2 PRO 112 - QG2 VAL 125 7.692% * 0.2883% (0.14 1.0 1.00 0.02 0.02) = 0.288% HB VAL 105 - QG2 VAL 125 7.692% * 0.2882% (0.14 1.0 1.00 0.02 0.02) = 0.288% HG2 GLU- 45 - QG2 VAL 125 7.692% * 0.2282% (0.11 1.0 1.00 0.02 0.02) = 0.228% HB VAL 65 - QG2 VAL 125 7.692% * 0.1881% (0.09 1.0 1.00 0.02 0.02) = 0.188% HB2 MET 118 - QG2 VAL 125 7.692% * 0.1247% (0.06 1.0 1.00 0.02 0.02) = 0.125% HB2 ASP- 28 - QG2 VAL 125 7.692% * 0.1247% (0.06 1.0 1.00 0.02 0.02) = 0.125% HB2 LYS+ 110 - QG2 VAL 125 7.692% * 0.0658% (0.03 1.0 1.00 0.02 0.02) = 0.066% HD3 LYS+ 110 - QG2 VAL 125 7.692% * 0.0513% (0.02 1.0 1.00 0.02 0.02) = 0.051% Reference assignment not found: HB VAL 87 - QG2 VAL 87 Not enough quality. Peak unassigned. Peak 4088 (4.18, 4.16, 62.61 ppm): 5 diagonal assignments: HA VAL 105 - HA VAL 105 (0.70) kept HB3 SER 49 - HB3 SER 49 (0.51) kept HA VAL 65 - HA VAL 65 (0.47) kept HA VAL 73 - HA VAL 73 (0.23) kept * HA VAL 87 - HA VAL 87 (0.11) kept Peak 4089 (2.11, 4.16, 62.61 ppm): 78 chemical-shift based assignments, quality = 0.474, support = 1.94, residual support = 11.4: O HB VAL 105 - HA VAL 105 1.282% * 32.1582% (0.84 10.0 1.00 1.50 5.92) = 32.158% kept T HG2 GLU- 45 - HB3 SER 49 1.282% * 19.2601% (0.38 1.0 10.00 2.46 4.72) = 19.260% kept * O T HB VAL 87 - HA VAL 87 1.282% * 16.9898% (0.33 10.0 10.00 2.21 20.87) = 16.990% kept O HB VAL 65 - HA VAL 65 1.282% * 14.7132% (0.29 10.0 1.00 3.19 29.62) = 14.713% kept T HB3 GLU- 75 - HA VAL 73 1.282% * 4.3146% (0.22 1.0 10.00 0.76 0.02) = 4.315% kept O HB2 LYS+ 110 - HA LYS+ 110 1.282% * 4.2994% (0.08 10.0 1.00 2.25 15.91) = 4.299% kept T HB3 GLU- 75 - HB3 SER 49 1.282% * 3.4564% (0.52 1.0 10.00 0.26 0.02) = 3.456% kept T HB3 GLU- 75 - HA VAL 65 1.282% * 0.9515% (0.48 1.0 10.00 0.08 0.02) = 0.951% T HB VAL 87 - HA VAL 105 1.282% * 0.4932% (0.97 1.0 10.00 0.02 0.02) = 0.493% T HB3 GLU- 75 - HA VAL 105 1.282% * 0.4653% (0.91 1.0 10.00 0.02 0.02) = 0.465% T HB VAL 87 - HB3 SER 49 1.282% * 0.2798% (0.55 1.0 10.00 0.02 0.02) = 0.280% T HB2 GLU- 56 - HB3 SER 49 1.282% * 0.2779% (0.55 1.0 10.00 0.02 0.02) = 0.278% T HB VAL 87 - HA VAL 65 1.282% * 0.2593% (0.51 1.0 10.00 0.02 0.02) = 0.259% T HB VAL 87 - HA LYS+ 110 1.282% * 0.2168% (0.43 1.0 10.00 0.02 0.02) = 0.217% T HB3 GLU- 75 - HA LYS+ 110 1.282% * 0.2045% (0.40 1.0 10.00 0.02 0.02) = 0.204% T HB2 MET 118 - HA VAL 105 1.282% * 0.1855% (0.36 1.0 10.00 0.02 0.02) = 0.186% T HB3 GLU- 75 - HA VAL 87 1.282% * 0.1603% (0.31 1.0 10.00 0.02 0.02) = 0.160% T HB VAL 87 - HA VAL 73 1.282% * 0.1198% (0.24 1.0 10.00 0.02 0.02) = 0.120% T HB2 MET 118 - HB3 SER 49 1.282% * 0.1052% (0.21 1.0 10.00 0.02 0.02) = 0.105% T HB2 MET 118 - HA VAL 65 1.282% * 0.0975% (0.19 1.0 10.00 0.02 0.02) = 0.098% T HB2 MET 118 - HA LYS+ 110 1.282% * 0.0815% (0.16 1.0 10.00 0.02 0.02) = 0.082% T HB2 MET 118 - HA VAL 87 1.282% * 0.0639% (0.13 1.0 10.00 0.02 0.02) = 0.064% HB2 GLU- 56 - HA VAL 105 1.282% * 0.0490% (0.96 1.0 1.00 0.02 0.02) = 0.049% HB3 LEU 43 - HA VAL 105 1.282% * 0.0468% (0.92 1.0 1.00 0.02 0.02) = 0.047% T HB2 MET 118 - HA VAL 73 1.282% * 0.0451% (0.09 1.0 10.00 0.02 0.02) = 0.045% HG2 PRO 112 - HA VAL 105 1.282% * 0.0429% (0.84 1.0 1.00 0.02 0.02) = 0.043% HG2 GLU- 45 - HA VAL 105 1.282% * 0.0340% (0.67 1.0 1.00 0.02 0.32) = 0.034% HB VAL 65 - HA VAL 105 1.282% * 0.0280% (0.55 1.0 1.00 0.02 0.02) = 0.028% HB3 LEU 43 - HB3 SER 49 1.282% * 0.0265% (0.52 1.0 1.00 0.02 0.02) = 0.027% HB2 GLU- 56 - HA VAL 65 1.282% * 0.0258% (0.51 1.0 1.00 0.02 0.02) = 0.026% HB3 LEU 43 - HA VAL 65 1.282% * 0.0246% (0.48 1.0 1.00 0.02 0.02) = 0.025% HG2 PRO 112 - HB3 SER 49 1.282% * 0.0243% (0.48 1.0 1.00 0.02 0.02) = 0.024% HB VAL 105 - HB3 SER 49 1.282% * 0.0243% (0.48 1.0 1.00 0.02 0.02) = 0.024% HG2 PRO 112 - HA VAL 65 1.282% * 0.0226% (0.44 1.0 1.00 0.02 0.02) = 0.023% HB VAL 105 - HA VAL 65 1.282% * 0.0225% (0.44 1.0 1.00 0.02 0.02) = 0.023% HB2 GLU- 56 - HA LYS+ 110 1.282% * 0.0215% (0.42 1.0 1.00 0.02 0.02) = 0.022% HB3 LEU 43 - HA LYS+ 110 1.282% * 0.0206% (0.40 1.0 1.00 0.02 0.11) = 0.021% HG2 PRO 112 - HA LYS+ 110 1.282% * 0.0189% (0.37 1.0 1.00 0.02 0.02) = 0.019% HB VAL 105 - HA LYS+ 110 1.282% * 0.0188% (0.37 1.0 1.00 0.02 0.02) = 0.019% HB2 ASP- 28 - HA VAL 105 1.282% * 0.0186% (0.36 1.0 1.00 0.02 0.02) = 0.019% HG2 GLU- 45 - HA VAL 65 1.282% * 0.0179% (0.35 1.0 1.00 0.02 0.02) = 0.018% HB2 GLU- 56 - HA VAL 87 1.282% * 0.0169% (0.33 1.0 1.00 0.02 0.02) = 0.017% HB3 LEU 43 - HA VAL 87 1.282% * 0.0161% (0.32 1.0 1.00 0.02 0.02) = 0.016% HB VAL 65 - HB3 SER 49 1.282% * 0.0159% (0.31 1.0 1.00 0.02 0.10) = 0.016% HG2 GLU- 45 - HA LYS+ 110 1.282% * 0.0149% (0.29 1.0 1.00 0.02 0.11) = 0.015% HG2 PRO 112 - HA VAL 87 1.282% * 0.0148% (0.29 1.0 1.00 0.02 0.02) = 0.015% HB VAL 105 - HA VAL 87 1.282% * 0.0148% (0.29 1.0 1.00 0.02 0.02) = 0.015% HB VAL 125 - HA VAL 105 1.282% * 0.0123% (0.24 1.0 1.00 0.02 0.02) = 0.012% HB VAL 65 - HA LYS+ 110 1.282% * 0.0123% (0.24 1.0 1.00 0.02 0.02) = 0.012% HB2 GLU- 56 - HA VAL 73 1.282% * 0.0119% (0.23 1.0 1.00 0.02 0.02) = 0.012% HG2 GLU- 45 - HA VAL 87 1.282% * 0.0117% (0.23 1.0 1.00 0.02 1.57) = 0.012% HB3 LEU 43 - HA VAL 73 1.282% * 0.0114% (0.22 1.0 1.00 0.02 0.02) = 0.011% HB2 ASP- 28 - HB3 SER 49 1.282% * 0.0105% (0.21 1.0 1.00 0.02 0.02) = 0.011% HG2 PRO 112 - HA VAL 73 1.282% * 0.0104% (0.20 1.0 1.00 0.02 0.41) = 0.010% HB VAL 105 - HA VAL 73 1.282% * 0.0104% (0.20 1.0 1.00 0.02 0.02) = 0.010% HB2 LYS+ 110 - HA VAL 105 1.282% * 0.0098% (0.19 1.0 1.00 0.02 0.02) = 0.010% HB2 ASP- 28 - HA VAL 65 1.282% * 0.0098% (0.19 1.0 1.00 0.02 0.02) = 0.010% HB VAL 65 - HA VAL 87 1.282% * 0.0096% (0.19 1.0 1.00 0.02 0.02) = 0.010% HG2 GLU- 45 - HA VAL 73 1.282% * 0.0083% (0.16 1.0 1.00 0.02 1.63) = 0.008% HB2 ASP- 28 - HA LYS+ 110 1.282% * 0.0082% (0.16 1.0 1.00 0.02 0.02) = 0.008% HD3 LYS+ 110 - HA VAL 105 1.282% * 0.0076% (0.15 1.0 1.00 0.02 0.02) = 0.008% HB VAL 125 - HB3 SER 49 1.282% * 0.0070% (0.14 1.0 1.00 0.02 0.02) = 0.007% HB VAL 65 - HA VAL 73 1.282% * 0.0068% (0.13 1.0 1.00 0.02 0.02) = 0.007% HB VAL 125 - HA VAL 65 1.282% * 0.0065% (0.13 1.0 1.00 0.02 0.02) = 0.006% HB2 ASP- 28 - HA VAL 87 1.282% * 0.0064% (0.13 1.0 1.00 0.02 0.02) = 0.006% HB2 LYS+ 110 - HB3 SER 49 1.282% * 0.0055% (0.11 1.0 1.00 0.02 0.02) = 0.006% HB VAL 125 - HA LYS+ 110 1.282% * 0.0054% (0.11 1.0 1.00 0.02 0.02) = 0.005% HB2 LYS+ 110 - HA VAL 65 1.282% * 0.0051% (0.10 1.0 1.00 0.02 0.02) = 0.005% HB2 ASP- 28 - HA VAL 73 1.282% * 0.0045% (0.09 1.0 1.00 0.02 0.02) = 0.005% HD3 LYS+ 110 - HB3 SER 49 1.282% * 0.0043% (0.08 1.0 1.00 0.02 0.02) = 0.004% HB VAL 125 - HA VAL 87 1.282% * 0.0042% (0.08 1.0 1.00 0.02 0.02) = 0.004% HD3 LYS+ 110 - HA VAL 65 1.282% * 0.0040% (0.08 1.0 1.00 0.02 0.02) = 0.004% HB2 LYS+ 110 - HA VAL 87 1.282% * 0.0034% (0.07 1.0 1.00 0.02 0.02) = 0.003% HD3 LYS+ 110 - HA LYS+ 110 1.282% * 0.0034% (0.07 1.0 1.00 0.02 15.91) = 0.003% HB VAL 125 - HA VAL 73 1.282% * 0.0030% (0.06 1.0 1.00 0.02 0.02) = 0.003% HD3 LYS+ 110 - HA VAL 87 1.282% * 0.0026% (0.05 1.0 1.00 0.02 0.02) = 0.003% HB2 LYS+ 110 - HA VAL 73 1.282% * 0.0024% (0.05 1.0 1.00 0.02 0.02) = 0.002% HD3 LYS+ 110 - HA VAL 73 1.282% * 0.0019% (0.04 1.0 1.00 0.02 0.02) = 0.002% Peak 4090 (2.14, 2.13, 32.58 ppm): 2 diagonal assignments: HB3 GLU- 75 - HB3 GLU- 75 (0.18) kept * HB VAL 87 - HB VAL 87 (0.07) kept Peak 4091 (0.93, 4.16, 62.61 ppm): 84 chemical-shift based assignments, quality = 0.679, support = 2.25, residual support = 8.04: O QG2 VAL 105 - HA VAL 105 1.190% * 34.4730% (0.87 10.0 2.47 5.92) = 34.473% kept O QG1 VAL 105 - HA VAL 105 1.190% * 32.1068% (0.81 10.0 2.42 5.92) = 32.107% kept O HG3 LYS+ 110 - HA LYS+ 110 1.190% * 16.1838% (0.42 10.0 1.93 15.91) = 16.184% kept O QG2 VAL 73 - HA VAL 73 1.190% * 3.5053% (0.09 10.0 2.97 25.01) = 3.505% kept * O QG2 VAL 87 - HA VAL 87 1.190% * 2.6204% (0.07 10.0 3.15 20.87) = 2.620% kept HG12 ILE 68 - HA VAL 105 1.190% * 2.4175% (0.97 1.0 1.26 0.60) = 2.417% kept HG12 ILE 68 - HB3 SER 49 1.190% * 1.9352% (0.55 1.0 1.78 1.95) = 1.935% kept HG12 ILE 68 - HA VAL 65 1.190% * 1.7755% (0.51 1.0 1.76 1.17) = 1.775% kept HG12 ILE 68 - HA VAL 73 1.190% * 1.0899% (0.24 1.0 2.33 1.95) = 1.090% kept QD1 LEU 67 - HA VAL 105 1.190% * 0.5312% (0.30 1.0 0.90 0.02) = 0.531% QG2 VAL 105 - HB3 SER 49 1.190% * 0.4507% (0.49 1.0 0.46 0.02) = 0.451% QG1 VAL 105 - HB3 SER 49 1.190% * 0.4031% (0.46 1.0 0.44 0.02) = 0.403% QD1 LEU 67 - HA VAL 65 1.190% * 0.3278% (0.16 1.0 1.05 0.72) = 0.328% HG3 LYS+ 117 - HA VAL 73 1.190% * 0.2926% (0.09 1.0 1.67 0.14) = 0.293% QD1 LEU 67 - HA VAL 73 1.190% * 0.2826% (0.07 1.0 1.96 0.02) = 0.283% QG2 ILE 29 - HB3 SER 49 1.190% * 0.1928% (0.19 1.0 0.52 0.02) = 0.193% QD1 LEU 67 - HB3 SER 49 1.190% * 0.1781% (0.17 1.0 0.53 0.02) = 0.178% QG1 VAL 47 - HB3 SER 49 1.190% * 0.1733% (0.14 1.0 0.64 0.02) = 0.173% HG3 LYS+ 117 - HB3 SER 49 1.190% * 0.1071% (0.21 1.0 0.26 0.55) = 0.107% QG2 VAL 62 - HA VAL 73 1.190% * 0.1015% (0.11 1.0 0.45 0.02) = 0.102% QG1 VAL 47 - HA VAL 73 1.190% * 0.0615% (0.06 1.0 0.53 0.02) = 0.062% QG2 VAL 73 - HB3 SER 49 1.190% * 0.0537% (0.21 1.0 0.13 0.02) = 0.054% QG2 VAL 80 - HA VAL 73 1.190% * 0.0388% (0.22 1.0 0.09 0.58) = 0.039% HG3 LYS+ 110 - HA VAL 105 1.190% * 0.0381% (0.96 1.0 0.02 0.02) = 0.038% QG2 VAL 80 - HA VAL 105 1.190% * 0.0364% (0.92 1.0 0.02 0.02) = 0.036% QD1 LEU 17 - HA VAL 105 1.190% * 0.0333% (0.84 1.0 0.02 0.02) = 0.033% QG2 VAL 105 - HA VAL 73 1.190% * 0.0316% (0.21 1.0 0.08 0.02) = 0.032% HG3 LYS+ 110 - HB3 SER 49 1.190% * 0.0216% (0.55 1.0 0.02 0.02) = 0.022% QG2 VAL 80 - HB3 SER 49 1.190% * 0.0206% (0.52 1.0 0.02 0.02) = 0.021% HG3 LYS+ 110 - HA VAL 65 1.190% * 0.0200% (0.51 1.0 0.02 0.02) = 0.020% QG2 VAL 80 - HA VAL 65 1.190% * 0.0191% (0.48 1.0 0.02 0.02) = 0.019% QD1 LEU 17 - HB3 SER 49 1.190% * 0.0189% (0.48 1.0 0.02 0.02) = 0.019% QG2 VAL 62 - HA VAL 105 1.190% * 0.0187% (0.47 1.0 0.02 0.02) = 0.019% QG2 VAL 105 - HA VAL 65 1.190% * 0.0181% (0.46 1.0 0.02 0.02) = 0.018% QD1 LEU 17 - HA VAL 65 1.190% * 0.0175% (0.44 1.0 0.02 0.02) = 0.018% HG12 ILE 68 - HA LYS+ 110 1.190% * 0.0169% (0.43 1.0 0.02 0.02) = 0.017% QG1 VAL 105 - HA VAL 65 1.190% * 0.0169% (0.43 1.0 0.02 0.02) = 0.017% QG2 VAL 80 - HA LYS+ 110 1.190% * 0.0160% (0.40 1.0 0.02 0.02) = 0.016% QG2 VAL 105 - HA LYS+ 110 1.190% * 0.0152% (0.38 1.0 0.02 0.02) = 0.015% QD1 LEU 17 - HA LYS+ 110 1.190% * 0.0147% (0.37 1.0 0.02 0.02) = 0.015% QG2 VAL 73 - HA VAL 105 1.190% * 0.0144% (0.36 1.0 0.02 0.02) = 0.014% HG3 LYS+ 117 - HA VAL 105 1.190% * 0.0144% (0.36 1.0 0.02 0.02) = 0.014% QG1 VAL 105 - HA LYS+ 110 1.190% * 0.0141% (0.36 1.0 0.02 0.02) = 0.014% HG12 ILE 68 - HA VAL 87 1.190% * 0.0132% (0.33 1.0 0.02 0.02) = 0.013% HG3 LYS+ 110 - HA VAL 87 1.190% * 0.0131% (0.33 1.0 0.02 0.02) = 0.013% QG2 ILE 29 - HA VAL 105 1.190% * 0.0131% (0.33 1.0 0.02 0.38) = 0.013% QG2 VAL 80 - HA VAL 87 1.190% * 0.0125% (0.32 1.0 0.02 0.02) = 0.013% QG2 VAL 105 - HA VAL 87 1.190% * 0.0119% (0.30 1.0 0.02 0.02) = 0.012% QD1 LEU 17 - HA VAL 87 1.190% * 0.0115% (0.29 1.0 0.02 0.02) = 0.011% QG1 VAL 105 - HA VAL 87 1.190% * 0.0111% (0.28 1.0 0.02 0.02) = 0.011% QG2 VAL 62 - HB3 SER 49 1.190% * 0.0106% (0.27 1.0 0.02 0.02) = 0.011% QG2 VAL 62 - HA VAL 65 1.190% * 0.0098% (0.25 1.0 0.02 0.02) = 0.010% QG1 VAL 47 - HA VAL 105 1.190% * 0.0096% (0.24 1.0 0.02 0.02) = 0.010% HG3 LYS+ 110 - HA VAL 73 1.190% * 0.0093% (0.23 1.0 0.02 0.02) = 0.009% QG2 VAL 62 - HA LYS+ 110 1.190% * 0.0082% (0.21 1.0 0.02 0.02) = 0.008% QD1 LEU 17 - HA VAL 73 1.190% * 0.0081% (0.20 1.0 0.02 0.02) = 0.008% QG1 VAL 105 - HA VAL 73 1.190% * 0.0078% (0.20 1.0 0.02 0.02) = 0.008% QG2 VAL 87 - HA VAL 105 1.190% * 0.0076% (0.19 1.0 0.02 0.02) = 0.008% QG2 VAL 40 - HA VAL 105 1.190% * 0.0076% (0.19 1.0 0.02 0.02) = 0.008% QG2 VAL 73 - HA VAL 65 1.190% * 0.0076% (0.19 1.0 0.02 0.02) = 0.008% HG3 LYS+ 117 - HA VAL 65 1.190% * 0.0076% (0.19 1.0 0.02 0.02) = 0.008% QG2 ILE 29 - HA VAL 65 1.190% * 0.0069% (0.17 1.0 0.02 0.02) = 0.007% QG2 VAL 62 - HA VAL 87 1.190% * 0.0064% (0.16 1.0 0.02 0.02) = 0.006% QG2 VAL 73 - HA LYS+ 110 1.190% * 0.0063% (0.16 1.0 0.02 0.02) = 0.006% HG3 LYS+ 117 - HA LYS+ 110 1.190% * 0.0063% (0.16 1.0 0.02 0.02) = 0.006% QG2 ILE 29 - HA LYS+ 110 1.190% * 0.0058% (0.15 1.0 0.02 0.02) = 0.006% QD1 LEU 67 - HA LYS+ 110 1.190% * 0.0052% (0.13 1.0 0.02 0.02) = 0.005% QG1 VAL 47 - HA VAL 65 1.190% * 0.0050% (0.13 1.0 0.02 0.02) = 0.005% QG2 VAL 73 - HA VAL 87 1.190% * 0.0050% (0.13 1.0 0.02 0.02) = 0.005% HG3 LYS+ 117 - HA VAL 87 1.190% * 0.0050% (0.13 1.0 0.02 0.02) = 0.005% QG2 ILE 29 - HA VAL 87 1.190% * 0.0045% (0.11 1.0 0.02 0.02) = 0.005% QG2 VAL 87 - HB3 SER 49 1.190% * 0.0043% (0.11 1.0 0.02 0.02) = 0.004% QG2 VAL 40 - HB3 SER 49 1.190% * 0.0043% (0.11 1.0 0.02 0.02) = 0.004% QG1 VAL 47 - HA LYS+ 110 1.190% * 0.0042% (0.11 1.0 0.02 0.02) = 0.004% QD1 LEU 67 - HA VAL 87 1.190% * 0.0041% (0.10 1.0 0.02 0.02) = 0.004% QG2 VAL 40 - HA VAL 65 1.190% * 0.0040% (0.10 1.0 0.02 0.02) = 0.004% QG2 VAL 87 - HA VAL 65 1.190% * 0.0040% (0.10 1.0 0.02 0.02) = 0.004% QG2 VAL 87 - HA LYS+ 110 1.190% * 0.0033% (0.08 1.0 0.02 0.02) = 0.003% QG2 VAL 40 - HA LYS+ 110 1.190% * 0.0033% (0.08 1.0 0.02 0.02) = 0.003% QG1 VAL 47 - HA VAL 87 1.190% * 0.0033% (0.08 1.0 0.02 0.02) = 0.003% QG2 ILE 29 - HA VAL 73 1.190% * 0.0032% (0.08 1.0 0.02 0.02) = 0.003% QG2 VAL 40 - HA VAL 87 1.190% * 0.0026% (0.07 1.0 0.02 0.02) = 0.003% QG2 VAL 40 - HA VAL 73 1.190% * 0.0018% (0.05 1.0 0.02 0.02) = 0.002% QG2 VAL 87 - HA VAL 73 1.190% * 0.0018% (0.05 1.0 0.02 0.02) = 0.002% Peak 4092 (0.91, 0.91, 20.50 ppm): 13 chemical-shift based assignments, quality = 0.105, support = 0.113, residual support = 0.0198: QG1 VAL 47 - QG2 VAL 125 7.692% * 50.5851% (0.11 0.21 0.02) = 50.585% kept QG2 VAL 80 - QG2 VAL 125 7.692% * 6.4373% (0.14 0.02 0.02) = 6.437% kept HG3 LYS+ 117 - QG2 VAL 125 7.692% * 5.9954% (0.13 0.02 0.02) = 5.995% kept HG3 LYS+ 110 - QG2 VAL 125 7.692% * 5.7475% (0.12 0.02 0.02) = 5.748% kept QD1 LEU 67 - QG2 VAL 125 7.692% * 5.4855% (0.12 0.02 0.02) = 5.485% kept HG12 ILE 68 - QG2 VAL 125 7.692% * 5.2122% (0.11 0.02 0.02) = 5.212% kept QG2 VAL 87 - QG2 VAL 125 7.692% * 4.3536% (0.09 0.02 0.02) = 4.354% kept QG2 VAL 40 - QG2 VAL 125 7.692% * 4.3536% (0.09 0.02 0.02) = 4.354% kept QG2 VAL 105 - QG2 VAL 125 7.692% * 3.2180% (0.07 0.02 0.02) = 3.218% kept QD1 LEU 17 - QG2 VAL 125 7.692% * 2.9509% (0.06 0.02 0.02) = 2.951% kept QG1 VAL 105 - QG2 VAL 125 7.692% * 2.6939% (0.06 0.02 0.02) = 2.694% kept QG1 VAL 80 - QG2 VAL 125 7.692% * 1.9957% (0.04 0.02 0.02) = 1.996% kept QG2 VAL 62 - QG2 VAL 125 7.692% * 0.9714% (0.02 0.02 0.02) = 0.971% Reference assignment not found: QG2 VAL 87 - QG2 VAL 87 Not enough support, support cutoff is 0.27 Peak unassigned. Peak 4093 (3.53, 0.45, 25.58 ppm): 6 chemical-shift based assignments, quality = 0.378, support = 3.27, residual support = 32.1: * T HB2 SER 69 - QD2 LEU 74 16.667% * 68.9562% (0.35 10.00 3.82 41.97) = 68.956% kept HA LYS+ 44 - QD2 LEU 74 16.667% * 11.7094% (0.82 1.00 1.45 0.61) = 11.709% kept HA LYS+ 44 - QD2 LEU 43 16.667% * 10.6797% (0.29 1.00 3.80 27.85) = 10.680% kept T HB2 SER 69 - QD2 LEU 43 16.667% * 8.4288% (0.12 10.00 0.70 1.67) = 8.429% kept HA1 GLY 26 - QD2 LEU 74 16.667% * 0.1677% (0.85 1.00 0.02 0.02) = 0.168% HA1 GLY 26 - QD2 LEU 43 16.667% * 0.0583% (0.30 1.00 0.02 0.02) = 0.058% Peak 4094 (3.72, -0.03, 22.30 ppm): 5 chemical-shift based assignments, quality = 0.834, support = 3.58, residual support = 39.4: * T HB3 SER 69 - QD1 LEU 74 20.000% * 93.9070% (0.85 10.00 3.76 41.97) = 93.907% kept HA LYS+ 81 - QD1 LEU 74 20.000% * 3.3808% (0.60 1.00 1.03 0.30) = 3.381% kept HA LEU 43 - QD1 LEU 74 20.000% * 1.4091% (0.34 1.00 0.76 1.31) = 1.409% kept HB2 TRP 51 - QD1 LEU 74 20.000% * 1.2884% (0.52 1.00 0.45 0.23) = 1.288% kept HD3 PRO 104 - QD1 LEU 74 20.000% * 0.0147% (0.13 1.00 0.02 0.02) = 0.015% Peak 4095 (4.20, -0.03, 22.35 ppm): 5 chemical-shift based assignments, quality = 0.592, support = 3.58, residual support = 8.51: * HA VAL 73 - QD1 LEU 74 20.000% * 81.8483% (0.57 4.24 10.37) = 81.848% kept HA ASP- 82 - QD1 LEU 74 20.000% * 16.9646% (0.76 0.65 0.12) = 16.965% kept HB3 SER 49 - QD1 LEU 74 20.000% * 0.5353% (0.78 0.02 0.71) = 0.535% HA VAL 65 - QD1 LEU 74 20.000% * 0.4413% (0.65 0.02 0.02) = 0.441% HA GLU- 12 - QD1 LEU 74 20.000% * 0.2105% (0.31 0.02 0.02) = 0.211% Peak 4096 (0.92, 4.19, 62.90 ppm): 70 chemical-shift based assignments, quality = 0.341, support = 2.21, residual support = 9.44: O QG2 VAL 73 - HA VAL 73 1.429% * 22.3970% (0.21 10.0 2.97 25.01) = 22.397% kept O QG2 VAL 105 - HA VAL 105 1.429% * 11.7277% (0.11 10.0 2.47 5.92) = 11.728% kept * HG12 ILE 68 - HA VAL 73 1.429% * 11.1056% (0.90 1.0 2.33 1.95) = 11.106% kept O QG1 VAL 105 - HA VAL 105 1.429% * 10.4478% (0.10 10.0 2.42 5.92) = 10.448% kept O QG2 VAL 87 - HA VAL 87 1.429% * 10.0082% (0.09 10.0 3.15 20.87) = 10.008% kept HG12 ILE 68 - HB3 SER 49 1.429% * 7.2345% (0.77 1.0 1.78 1.95) = 7.235% kept QD1 LEU 67 - HA VAL 73 1.429% * 4.8012% (0.46 1.0 1.96 0.02) = 4.801% kept HG12 ILE 68 - HA VAL 65 1.429% * 4.7977% (0.52 1.0 1.76 1.17) = 4.798% kept HG3 LYS+ 117 - HA VAL 73 1.429% * 4.7550% (0.54 1.0 1.67 0.14) = 4.755% kept QD1 LEU 67 - HA VAL 65 1.429% * 1.4765% (0.27 1.0 1.05 0.72) = 1.477% kept QG2 VAL 105 - HB3 SER 49 1.429% * 1.4423% (0.59 1.0 0.46 0.02) = 1.442% kept QG1 VAL 105 - HB3 SER 49 1.429% * 1.2338% (0.53 1.0 0.44 0.02) = 1.234% kept QG1 VAL 47 - HB3 SER 49 1.429% * 1.1289% (0.34 1.0 0.64 0.02) = 1.129% kept QD1 LEU 67 - HB3 SER 49 1.429% * 1.1102% (0.40 1.0 0.53 0.02) = 1.110% kept QG1 VAL 47 - HA VAL 73 1.429% * 1.0930% (0.39 1.0 0.53 0.02) = 1.093% kept HG12 ILE 68 - HA VAL 105 1.429% * 0.9608% (0.14 1.0 1.26 0.60) = 0.961% QG2 VAL 62 - HA VAL 73 1.429% * 0.6935% (0.29 1.0 0.45 0.02) = 0.694% HG3 LYS+ 117 - HB3 SER 49 1.429% * 0.6386% (0.46 1.0 0.26 0.55) = 0.639% QG2 ILE 29 - HB3 SER 49 1.429% * 0.4421% (0.16 1.0 0.52 0.02) = 0.442% QG2 VAL 80 - HA VAL 73 1.429% * 0.4419% (0.95 1.0 0.09 0.58) = 0.442% QD1 LEU 67 - HA VAL 105 1.429% * 0.3520% (0.07 1.0 0.90 0.02) = 0.352% QG2 VAL 105 - HA VAL 73 1.429% * 0.2756% (0.69 1.0 0.08 0.02) = 0.276% QG2 VAL 73 - HB3 SER 49 1.429% * 0.1259% (0.18 1.0 0.13 0.02) = 0.126% HG3 LYS+ 110 - HA VAL 73 1.429% * 0.0986% (0.93 1.0 0.02 0.02) = 0.099% QG2 VAL 80 - HB3 SER 49 1.429% * 0.0862% (0.82 1.0 0.02 0.02) = 0.086% HG3 LYS+ 110 - HB3 SER 49 1.429% * 0.0845% (0.80 1.0 0.02 0.02) = 0.084% QD1 LEU 17 - HA VAL 73 1.429% * 0.0691% (0.65 1.0 0.02 0.02) = 0.069% QG1 VAL 105 - HA VAL 73 1.429% * 0.0651% (0.62 1.0 0.02 0.02) = 0.065% QD1 LEU 17 - HB3 SER 49 1.429% * 0.0592% (0.56 1.0 0.02 0.02) = 0.059% QG2 VAL 80 - HA VAL 65 1.429% * 0.0577% (0.55 1.0 0.02 0.02) = 0.058% HG3 LYS+ 110 - HA VAL 65 1.429% * 0.0566% (0.54 1.0 0.02 0.02) = 0.057% QG2 VAL 105 - HA VAL 65 1.429% * 0.0419% (0.40 1.0 0.02 0.02) = 0.042% QD1 LEU 17 - HA VAL 65 1.429% * 0.0397% (0.38 1.0 0.02 0.02) = 0.040% QG1 VAL 105 - HA VAL 65 1.429% * 0.0373% (0.35 1.0 0.02 0.02) = 0.037% QG2 VAL 40 - HA VAL 73 1.429% * 0.0343% (0.33 1.0 0.02 0.02) = 0.034% QG2 VAL 87 - HA VAL 73 1.429% * 0.0343% (0.33 1.0 0.02 0.02) = 0.034% HG3 LYS+ 117 - HA VAL 65 1.429% * 0.0327% (0.31 1.0 0.02 0.02) = 0.033% QG2 VAL 87 - HB3 SER 49 1.429% * 0.0294% (0.28 1.0 0.02 0.02) = 0.029% QG2 VAL 40 - HB3 SER 49 1.429% * 0.0294% (0.28 1.0 0.02 0.02) = 0.029% QG2 VAL 80 - HA VAL 87 1.429% * 0.0293% (0.28 1.0 0.02 0.02) = 0.029% HG3 LYS+ 110 - HA VAL 87 1.429% * 0.0288% (0.27 1.0 0.02 0.02) = 0.029% HG12 ILE 68 - HA VAL 87 1.429% * 0.0278% (0.26 1.0 0.02 0.02) = 0.028% QG2 VAL 62 - HB3 SER 49 1.429% * 0.0266% (0.25 1.0 0.02 0.02) = 0.027% QG1 VAL 47 - HA VAL 65 1.429% * 0.0237% (0.22 1.0 0.02 0.02) = 0.024% QG2 VAL 105 - HA VAL 87 1.429% * 0.0213% (0.20 1.0 0.02 0.02) = 0.021% QD1 LEU 17 - HA VAL 87 1.429% * 0.0202% (0.19 1.0 0.02 0.02) = 0.020% QG2 ILE 29 - HA VAL 73 1.429% * 0.0199% (0.19 1.0 0.02 0.02) = 0.020% QG2 VAL 40 - HA VAL 65 1.429% * 0.0197% (0.19 1.0 0.02 0.02) = 0.020% QG2 VAL 87 - HA VAL 65 1.429% * 0.0197% (0.19 1.0 0.02 0.02) = 0.020% QG1 VAL 105 - HA VAL 87 1.429% * 0.0190% (0.18 1.0 0.02 0.02) = 0.019% QG2 VAL 62 - HA VAL 65 1.429% * 0.0178% (0.17 1.0 0.02 0.02) = 0.018% HG3 LYS+ 117 - HA VAL 87 1.429% * 0.0166% (0.16 1.0 0.02 0.02) = 0.017% QG2 VAL 80 - HA VAL 105 1.429% * 0.0162% (0.15 1.0 0.02 0.02) = 0.016% HG3 LYS+ 110 - HA VAL 105 1.429% * 0.0158% (0.15 1.0 0.02 0.02) = 0.016% QD1 LEU 67 - HA VAL 87 1.429% * 0.0143% (0.14 1.0 0.02 0.02) = 0.014% QG2 VAL 73 - HA VAL 65 1.429% * 0.0129% (0.12 1.0 0.02 0.02) = 0.013% QG1 VAL 47 - HA VAL 87 1.429% * 0.0121% (0.11 1.0 0.02 0.02) = 0.012% QG2 ILE 29 - HA VAL 65 1.429% * 0.0114% (0.11 1.0 0.02 0.02) = 0.011% QD1 LEU 17 - HA VAL 105 1.429% * 0.0111% (0.11 1.0 0.02 0.02) = 0.011% QG2 VAL 40 - HA VAL 87 1.429% * 0.0100% (0.09 1.0 0.02 0.02) = 0.010% HG3 LYS+ 117 - HA VAL 105 1.429% * 0.0091% (0.09 1.0 0.02 0.02) = 0.009% QG2 VAL 62 - HA VAL 87 1.429% * 0.0091% (0.09 1.0 0.02 0.02) = 0.009% QG1 VAL 47 - HA VAL 105 1.429% * 0.0066% (0.06 1.0 0.02 0.02) = 0.007% QG2 VAL 73 - HA VAL 87 1.429% * 0.0065% (0.06 1.0 0.02 0.02) = 0.007% QG2 ILE 29 - HA VAL 87 1.429% * 0.0058% (0.06 1.0 0.02 0.02) = 0.006% QG2 VAL 40 - HA VAL 105 1.429% * 0.0055% (0.05 1.0 0.02 0.02) = 0.006% QG2 VAL 87 - HA VAL 105 1.429% * 0.0055% (0.05 1.0 0.02 0.02) = 0.006% QG2 VAL 62 - HA VAL 105 1.429% * 0.0050% (0.05 1.0 0.02 0.02) = 0.005% QG2 VAL 73 - HA VAL 105 1.429% * 0.0036% (0.03 1.0 0.02 0.02) = 0.004% QG2 ILE 29 - HA VAL 105 1.429% * 0.0032% (0.03 1.0 0.02 0.38) = 0.003% Peak 4097 (0.94, 4.18, 62.90 ppm): 50 chemical-shift based assignments, quality = 0.714, support = 2.6, residual support = 17.6: * O QG2 VAL 73 - HA VAL 73 2.000% * 65.4047% (0.93 10.0 2.97 25.01) = 65.405% kept O QG1 VAL 105 - HA VAL 105 2.000% * 9.8230% (0.14 10.0 2.42 5.92) = 9.823% kept O QG2 VAL 105 - HA VAL 105 2.000% * 9.0678% (0.13 10.0 2.47 5.92) = 9.068% kept HG12 ILE 68 - HA VAL 73 2.000% * 4.1611% (0.51 1.0 2.33 1.95) = 4.161% kept HG12 ILE 68 - HB3 SER 49 2.000% * 2.6952% (0.43 1.0 1.78 1.95) = 2.695% kept HG12 ILE 68 - HA VAL 65 2.000% * 1.7887% (0.29 1.0 1.76 1.17) = 1.789% kept QG2 VAL 62 - HA VAL 73 2.000% * 1.5104% (0.96 1.0 0.45 0.02) = 1.510% kept QG2 ILE 29 - HB3 SER 49 2.000% * 1.4155% (0.78 1.0 0.52 0.02) = 1.415% kept QG1 VAL 105 - HB3 SER 49 2.000% * 1.1082% (0.71 1.0 0.44 0.02) = 1.108% kept QG2 VAL 105 - HB3 SER 49 2.000% * 1.0653% (0.66 1.0 0.46 0.02) = 1.065% kept HG12 ILE 68 - HA VAL 105 2.000% * 0.3747% (0.08 1.0 1.26 0.60) = 0.375% QG2 VAL 73 - HB3 SER 49 2.000% * 0.3655% (0.79 1.0 0.13 0.02) = 0.366% QG2 VAL 105 - HA VAL 73 2.000% * 0.2048% (0.77 1.0 0.08 0.02) = 0.205% QG2 VAL 80 - HA VAL 73 2.000% * 0.1016% (0.33 1.0 0.09 0.58) = 0.102% QG2 ILE 29 - HA VAL 73 2.000% * 0.0641% (0.91 1.0 0.02 0.02) = 0.064% QG1 VAL 105 - HA VAL 73 2.000% * 0.0588% (0.84 1.0 0.02 0.02) = 0.059% QG2 VAL 62 - HB3 SER 49 2.000% * 0.0576% (0.82 1.0 0.02 0.02) = 0.058% QD1 LEU 17 - HA VAL 73 2.000% * 0.0566% (0.81 1.0 0.02 0.02) = 0.057% QD1 LEU 17 - HB3 SER 49 2.000% * 0.0482% (0.69 1.0 0.02 0.02) = 0.048% QG2 VAL 99 - HA VAL 73 2.000% * 0.0411% (0.59 1.0 0.02 0.02) = 0.041% QG2 VAL 62 - HA VAL 65 2.000% * 0.0386% (0.55 1.0 0.02 0.02) = 0.039% QG2 VAL 73 - HA VAL 65 2.000% * 0.0373% (0.53 1.0 0.02 0.02) = 0.037% QG2 ILE 29 - HA VAL 65 2.000% * 0.0366% (0.52 1.0 0.02 0.02) = 0.037% QG2 VAL 99 - HB3 SER 49 2.000% * 0.0350% (0.50 1.0 0.02 0.02) = 0.035% QG1 VAL 105 - HA VAL 65 2.000% * 0.0336% (0.48 1.0 0.02 0.02) = 0.034% QD1 LEU 17 - HA VAL 65 2.000% * 0.0323% (0.46 1.0 0.02 0.02) = 0.032% QG2 VAL 105 - HA VAL 65 2.000% * 0.0310% (0.44 1.0 0.02 0.02) = 0.031% HG3 LYS+ 110 - HA VAL 73 2.000% * 0.0304% (0.43 1.0 0.02 0.02) = 0.030% HG3 LYS+ 110 - HB3 SER 49 2.000% * 0.0259% (0.37 1.0 0.02 0.02) = 0.026% QG2 VAL 99 - HA VAL 65 2.000% * 0.0235% (0.33 1.0 0.02 0.02) = 0.023% QG2 VAL 62 - HA VAL 87 2.000% * 0.0210% (0.30 1.0 0.02 0.02) = 0.021% QG2 VAL 73 - HA VAL 87 2.000% * 0.0204% (0.29 1.0 0.02 0.02) = 0.020% QG2 ILE 29 - HA VAL 87 2.000% * 0.0200% (0.28 1.0 0.02 0.02) = 0.020% QG2 VAL 80 - HB3 SER 49 2.000% * 0.0197% (0.28 1.0 0.02 0.02) = 0.020% QG1 VAL 105 - HA VAL 87 2.000% * 0.0183% (0.26 1.0 0.02 0.02) = 0.018% QD1 LEU 17 - HA VAL 87 2.000% * 0.0176% (0.25 1.0 0.02 0.02) = 0.018% HG3 LYS+ 110 - HA VAL 65 2.000% * 0.0173% (0.25 1.0 0.02 0.02) = 0.017% QG2 VAL 105 - HA VAL 87 2.000% * 0.0169% (0.24 1.0 0.02 0.02) = 0.017% QG2 VAL 80 - HA VAL 65 2.000% * 0.0132% (0.19 1.0 0.02 0.02) = 0.013% QG2 VAL 99 - HA VAL 87 2.000% * 0.0128% (0.18 1.0 0.02 0.02) = 0.013% QG2 VAL 62 - HA VAL 105 2.000% * 0.0113% (0.16 1.0 0.02 0.02) = 0.011% HG12 ILE 68 - HA VAL 87 2.000% * 0.0111% (0.16 1.0 0.02 0.02) = 0.011% QG2 VAL 73 - HA VAL 105 2.000% * 0.0109% (0.16 1.0 0.02 0.02) = 0.011% QG2 ILE 29 - HA VAL 105 2.000% * 0.0107% (0.15 1.0 0.02 0.38) = 0.011% QD1 LEU 17 - HA VAL 105 2.000% * 0.0095% (0.13 1.0 0.02 0.02) = 0.009% HG3 LYS+ 110 - HA VAL 87 2.000% * 0.0095% (0.13 1.0 0.02 0.02) = 0.009% QG2 VAL 80 - HA VAL 87 2.000% * 0.0072% (0.10 1.0 0.02 0.02) = 0.007% QG2 VAL 99 - HA VAL 105 2.000% * 0.0069% (0.10 1.0 0.02 0.02) = 0.007% HG3 LYS+ 110 - HA VAL 105 2.000% * 0.0051% (0.07 1.0 0.02 0.02) = 0.005% QG2 VAL 80 - HA VAL 105 2.000% * 0.0039% (0.06 1.0 0.02 0.02) = 0.004% Peak 4098 (8.81, 0.68, 17.95 ppm): 10 chemical-shift based assignments, quality = 0.319, support = 2.12, residual support = 5.99: * HN SER 69 - QG2 ILE 68 10.000% * 53.1291% (0.24 3.55 10.87) = 53.129% kept HN LYS+ 32 - QG2 ILE 101 10.000% * 20.2004% (0.44 0.72 1.03) = 20.200% kept HN LYS+ 60 - QG2 ILE 68 10.000% * 13.7420% (0.48 0.45 0.02) = 13.742% kept HN LYS+ 60 - QG2 ILE 101 10.000% * 6.9966% (0.31 0.35 0.02) = 6.997% kept HN ASN 57 - QG2 ILE 101 10.000% * 2.9517% (0.50 0.09 0.02) = 2.952% kept HN ASN 57 - QG2 ILE 68 10.000% * 0.9652% (0.77 0.02 0.02) = 0.965% HN SER 69 - QG2 ILE 101 10.000% * 0.8794% (0.15 0.09 0.02) = 0.879% HN LYS+ 32 - QG2 ILE 68 10.000% * 0.8617% (0.68 0.02 0.02) = 0.862% HN THR 95 - QG2 ILE 68 10.000% * 0.1661% (0.13 0.02 0.02) = 0.166% HN THR 95 - QG2 ILE 101 10.000% * 0.1078% (0.09 0.02 0.02) = 0.108% Peak 4099 (2.23, 1.15, 19.91 ppm): 14 chemical-shift based assignments, quality = 0.327, support = 2.66, residual support = 7.25: * T HG3 GLU- 18 - QB ALA 33 7.143% * 85.7082% (0.34 10.00 2.89 8.16) = 85.708% kept HG3 GLN 16 - QB ALA 33 7.143% * 6.0353% (0.25 1.00 1.89 2.54) = 6.035% kept HG3 GLN 102 - QB ALA 33 7.143% * 5.3607% (0.36 1.00 1.18 1.77) = 5.361% kept HB3 ASN 15 - QB ALA 33 7.143% * 1.0344% (0.18 1.00 0.46 0.02) = 1.034% kept T HG3 GLU- 109 - QB ALA 33 7.143% * 0.9285% (0.37 10.00 0.02 0.02) = 0.928% HG2 PRO 112 - QB ALA 33 7.143% * 0.4140% (0.37 1.00 0.09 0.02) = 0.414% HB2 PRO 52 - QB ALA 33 7.143% * 0.0928% (0.37 1.00 0.02 0.02) = 0.093% HB2 GLU- 50 - QB ALA 33 7.143% * 0.0805% (0.32 1.00 0.02 0.02) = 0.081% HB3 GLU- 45 - QB ALA 33 7.143% * 0.0710% (0.28 1.00 0.02 0.02) = 0.071% HA1 GLY 58 - QB ALA 33 7.143% * 0.0710% (0.28 1.00 0.02 0.02) = 0.071% HG3 MET 97 - QB ALA 33 7.143% * 0.0710% (0.28 1.00 0.02 0.02) = 0.071% HG3 MET 126 - QB ALA 33 7.143% * 0.0601% (0.24 1.00 0.02 0.02) = 0.060% HG3 GLU- 10 - QB ALA 33 7.143% * 0.0601% (0.24 1.00 0.02 0.02) = 0.060% HG3 GLU- 107 - QB ALA 33 7.143% * 0.0126% (0.05 1.00 0.02 0.02) = 0.013% Peak 4100 (1.73, 1.72, 31.21 ppm): 1 diagonal assignment: * HB2 GLN 16 - HB2 GLN 16 (0.76) kept Peak 4102 (5.08, 3.17, 42.79 ppm): 2 chemical-shift based assignments, quality = 0.388, support = 2.31, residual support = 23.7: * O HA PHE 34 - HB3 PHE 34 50.000% * 99.9937% (0.39 10.0 2.31 23.73) = 99.994% kept HA PHE 34 - HE3 LYS+ 108 50.000% * 0.0063% (0.02 1.0 0.02 0.02) = 0.006% Peak 4103 (3.18, 3.17, 42.79 ppm): 1 diagonal assignment: * HB3 PHE 34 - HB3 PHE 34 (0.69) kept Peak 4104 (2.60, 2.60, 42.79 ppm): 1 diagonal assignment: * HB2 PHE 34 - HB2 PHE 34 (0.76) kept Peak 4105 (0.90, 2.60, 42.79 ppm): 10 chemical-shift based assignments, quality = 0.705, support = 0.662, residual support = 1.25: QG1 VAL 47 - HB2 PHE 34 10.000% * 41.4705% (0.80 0.78 2.97) = 41.470% kept QG1 VAL 80 - HB2 PHE 34 10.000% * 33.5088% (0.61 0.82 0.02) = 33.509% kept QD1 LEU 67 - HB2 PHE 34 10.000% * 16.8154% (0.80 0.32 0.02) = 16.815% kept HG12 ILE 68 - HB2 PHE 34 10.000% * 3.8479% (0.20 0.29 0.15) = 3.848% kept QG2 VAL 87 - HB2 PHE 34 10.000% * 1.0590% (0.80 0.02 0.02) = 1.059% kept QG2 VAL 40 - HB2 PHE 34 10.000% * 1.0590% (0.80 0.02 0.02) = 1.059% kept HG3 LYS+ 117 - HB2 PHE 34 10.000% * 1.0311% (0.77 0.02 0.02) = 1.031% kept QG2 VAL 125 - HB2 PHE 34 10.000% * 0.4393% (0.33 0.02 0.02) = 0.439% QG2 VAL 80 - HB2 PHE 34 10.000% * 0.4393% (0.33 0.02 0.02) = 0.439% HG3 LYS+ 110 - HB2 PHE 34 10.000% * 0.3298% (0.25 0.02 0.02) = 0.330% Peak 4106 (-0.11, 2.60, 42.79 ppm): 1 chemical-shift based assignment, quality = 0.696, support = 2.66, residual support = 15.0: * T QD1 LEU 43 - HB2 PHE 34 100.000% *100.0000% (0.70 10.00 2.66 14.98) = 100.000% kept Peak 4107 (0.91, 3.17, 42.79 ppm): 26 chemical-shift based assignments, quality = 0.608, support = 0.65, residual support = 0.888: QG2 VAL 80 - HB3 PHE 34 3.846% * 34.5136% (0.72 0.82 0.02) = 34.514% kept QG1 VAL 47 - HB3 PHE 34 3.846% * 28.8014% (0.55 0.89 2.97) = 28.801% kept HG12 ILE 68 - HB3 PHE 34 3.846% * 14.0685% (0.58 0.41 0.15) = 14.069% kept HG3 LYS+ 117 - HB3 PHE 34 3.846% * 12.6775% (0.67 0.32 0.02) = 12.678% kept QD1 LEU 67 - HB3 PHE 34 3.846% * 6.0589% (0.61 0.17 0.02) = 6.059% kept HG3 LYS+ 110 - HB3 PHE 34 3.846% * 0.7509% (0.64 0.02 0.02) = 0.751% QG2 VAL 87 - HB3 PHE 34 3.846% * 0.5688% (0.48 0.02 0.02) = 0.569% QG2 VAL 40 - HB3 PHE 34 3.846% * 0.5688% (0.48 0.02 0.02) = 0.569% QG2 VAL 105 - HB3 PHE 34 3.846% * 0.4204% (0.36 0.02 0.02) = 0.420% QD1 LEU 17 - HB3 PHE 34 3.846% * 0.3855% (0.33 0.02 0.02) = 0.386% QG1 VAL 105 - HB3 PHE 34 3.846% * 0.3520% (0.30 0.02 0.02) = 0.352% QG1 VAL 80 - HB3 PHE 34 3.846% * 0.2607% (0.22 0.02 0.02) = 0.261% QG2 VAL 62 - HB3 PHE 34 3.846% * 0.1269% (0.11 0.02 0.02) = 0.127% QG2 VAL 80 - HE3 LYS+ 108 3.846% * 0.0528% (0.04 0.02 0.02) = 0.053% HG3 LYS+ 117 - HE3 LYS+ 108 3.846% * 0.0492% (0.04 0.02 0.02) = 0.049% HG3 LYS+ 110 - HE3 LYS+ 108 3.846% * 0.0472% (0.04 0.02 0.39) = 0.047% QD1 LEU 67 - HE3 LYS+ 108 3.846% * 0.0450% (0.04 0.02 0.02) = 0.045% HG12 ILE 68 - HE3 LYS+ 108 3.846% * 0.0428% (0.04 0.02 0.02) = 0.043% QG1 VAL 47 - HE3 LYS+ 108 3.846% * 0.0405% (0.03 0.02 0.02) = 0.040% QG2 VAL 40 - HE3 LYS+ 108 3.846% * 0.0357% (0.03 0.02 0.02) = 0.036% QG2 VAL 87 - HE3 LYS+ 108 3.846% * 0.0357% (0.03 0.02 0.02) = 0.036% QG2 VAL 105 - HE3 LYS+ 108 3.846% * 0.0264% (0.02 0.02 0.02) = 0.026% QD1 LEU 17 - HE3 LYS+ 108 3.846% * 0.0242% (0.02 0.02 0.02) = 0.024% QG1 VAL 105 - HE3 LYS+ 108 3.846% * 0.0221% (0.02 0.02 0.02) = 0.022% QG1 VAL 80 - HE3 LYS+ 108 3.846% * 0.0164% (0.01 0.02 0.02) = 0.016% QG2 VAL 62 - HE3 LYS+ 108 3.846% * 0.0080% (0.01 0.02 0.02) = 0.008% Peak 4108 (-0.11, 3.17, 42.79 ppm): 2 chemical-shift based assignments, quality = 0.692, support = 2.78, residual support = 15.0: * T QD1 LEU 43 - HB3 PHE 34 50.000% * 99.9937% (0.69 10.00 2.78 14.98) = 99.994% kept QD1 LEU 43 - HE3 LYS+ 108 50.000% * 0.0063% (0.04 1.00 0.02 0.02) = 0.006% Peak 4109 (1.42, 1.42, 21.49 ppm): 2 diagonal assignments: HD3 LYS+ 44 - HD3 LYS+ 44 (0.98) kept * QG2 THR 38 - QG2 THR 38 (0.85) kept Peak 4110 (1.43, 1.56, 18.48 ppm): 14 chemical-shift based assignments, quality = 0.938, support = 3.48, residual support = 3.92: * QG2 THR 38 - QB ALA 42 7.143% * 56.9205% (0.99 4.42 5.57) = 56.920% kept HD3 LYS+ 44 - QB ALA 42 7.143% * 33.8353% (0.94 2.78 2.23) = 33.835% kept HG3 ARG+ 22 - QB ALA 42 7.143% * 3.6300% (0.96 0.29 0.02) = 3.630% kept QB ALA 37 - QB ALA 42 7.143% * 3.4907% (0.56 0.48 0.02) = 3.491% kept HG LEU 90 - QB ALA 42 7.143% * 0.7663% (0.72 0.08 0.02) = 0.766% QB ALA 91 - QB ALA 42 7.143% * 0.2554% (0.99 0.02 0.02) = 0.255% HD3 LYS+ 113 - QB ALA 42 7.143% * 0.2526% (0.97 0.02 0.02) = 0.253% HG3 LYS+ 55 - QB ALA 42 7.143% * 0.2487% (0.96 0.02 0.02) = 0.249% HG3 LYS+ 113 - QB ALA 42 7.143% * 0.2379% (0.92 0.02 0.02) = 0.238% HG LEU 67 - QB ALA 42 7.143% * 0.0967% (0.37 0.02 0.02) = 0.097% HG13 ILE 100 - QB ALA 42 7.143% * 0.0879% (0.34 0.02 0.02) = 0.088% QB ALA 93 - QB ALA 42 7.143% * 0.0879% (0.34 0.02 0.02) = 0.088% HG2 PRO 59 - QB ALA 42 7.143% * 0.0451% (0.17 0.02 0.02) = 0.045% HG3 LYS+ 60 - QB ALA 42 7.143% * 0.0451% (0.17 0.02 0.02) = 0.045% Peak 4111 (1.56, 1.42, 21.49 ppm): 20 chemical-shift based assignments, quality = 0.825, support = 3.38, residual support = 3.62: T QB ALA 42 - HD3 LYS+ 44 5.000% * 49.2033% (0.88 10.00 2.78 2.23) = 49.203% kept * T QB ALA 42 - QG2 THR 38 5.000% * 45.4198% (0.81 10.00 4.42 5.57) = 45.420% kept T HD3 LYS+ 60 - QG2 THR 38 5.000% * 2.7654% (0.90 10.00 0.11 0.02) = 2.765% kept T HD3 LYS+ 60 - HD3 LYS+ 44 5.000% * 0.5438% (0.97 10.00 0.02 0.02) = 0.544% HB3 LEU 90 - QG2 THR 38 5.000% * 0.4874% (0.75 1.00 0.23 0.02) = 0.487% HB ILE 19 - QG2 THR 38 5.000% * 0.4361% (0.85 1.00 0.18 0.02) = 0.436% QG2 THR 24 - QG2 THR 38 5.000% * 0.4176% (0.55 1.00 0.27 0.02) = 0.418% HD3 LYS+ 81 - QG2 THR 38 5.000% * 0.2351% (0.90 1.00 0.09 0.02) = 0.235% HD3 LYS+ 81 - HD3 LYS+ 44 5.000% * 0.0549% (0.98 1.00 0.02 0.02) = 0.055% HG LEU 17 - HD3 LYS+ 44 5.000% * 0.0529% (0.94 1.00 0.02 0.02) = 0.053% HB ILE 19 - HD3 LYS+ 44 5.000% * 0.0519% (0.93 1.00 0.02 0.02) = 0.052% HG12 ILE 29 - HD3 LYS+ 44 5.000% * 0.0492% (0.88 1.00 0.02 0.02) = 0.049% HG LEU 17 - QG2 THR 38 5.000% * 0.0489% (0.87 1.00 0.02 0.02) = 0.049% HB3 LEU 90 - HD3 LYS+ 44 5.000% * 0.0458% (0.82 1.00 0.02 0.02) = 0.046% HG12 ILE 29 - QG2 THR 38 5.000% * 0.0454% (0.81 1.00 0.02 0.02) = 0.045% HG13 ILE 29 - HD3 LYS+ 44 5.000% * 0.0398% (0.71 1.00 0.02 0.02) = 0.040% HG13 ILE 29 - QG2 THR 38 5.000% * 0.0368% (0.66 1.00 0.02 0.02) = 0.037% QG2 THR 24 - HD3 LYS+ 44 5.000% * 0.0333% (0.59 1.00 0.02 0.02) = 0.033% HB3 LYS+ 32 - HD3 LYS+ 44 5.000% * 0.0169% (0.30 1.00 0.02 0.02) = 0.017% HB3 LYS+ 32 - QG2 THR 38 5.000% * 0.0156% (0.28 1.00 0.02 0.02) = 0.016% Peak 4112 (-0.10, 1.56, 18.48 ppm): 1 chemical-shift based assignment, quality = 0.94, support = 4.6, residual support = 21.6: * QD1 LEU 43 - QB ALA 42 100.000% *100.0000% (0.94 4.60 21.64) = 100.000% kept Peak 4113 (1.41, 2.60, 42.79 ppm): 13 chemical-shift based assignments, quality = 0.674, support = 2.51, residual support = 8.14: HD3 LYS+ 44 - HB2 PHE 34 7.692% * 90.4693% (0.72 2.77 8.99) = 90.469% kept * QG2 THR 38 - HB2 PHE 34 7.692% * 2.4367% (0.58 0.09 0.02) = 2.437% kept HD3 LYS+ 20 - HB2 PHE 34 7.692% * 2.2158% (0.36 0.14 0.26) = 2.216% kept QB ALA 37 - HB2 PHE 34 7.692% * 0.7020% (0.77 0.02 0.10) = 0.702% HG LEU 67 - HB2 PHE 34 7.692% * 0.6076% (0.67 0.02 0.02) = 0.608% QB ALA 91 - HB2 PHE 34 7.692% * 0.5825% (0.64 0.02 0.02) = 0.582% QB ALA 93 - HB2 PHE 34 7.692% * 0.5825% (0.64 0.02 0.02) = 0.582% HG13 ILE 100 - HB2 PHE 34 7.692% * 0.5825% (0.64 0.02 0.02) = 0.582% HD3 LYS+ 113 - HB2 PHE 34 7.692% * 0.4412% (0.49 0.02 0.02) = 0.441% HG3 LYS+ 55 - HB2 PHE 34 7.692% * 0.4118% (0.45 0.02 0.02) = 0.412% HG3 ARG+ 22 - HB2 PHE 34 7.692% * 0.4118% (0.45 0.02 0.19) = 0.412% HG3 LYS+ 113 - HB2 PHE 34 7.692% * 0.3541% (0.39 0.02 0.02) = 0.354% HG LEU 90 - HB2 PHE 34 7.692% * 0.2023% (0.22 0.02 0.02) = 0.202% Peak 4114 (3.46, 2.27, 32.00 ppm): 12 chemical-shift based assignments, quality = 0.789, support = 3.27, residual support = 25.4: * O T HA VAL 80 - HB VAL 80 8.333% * 99.2280% (0.80 10.0 10.00 3.30 25.63) = 99.228% kept T HA VAL 80 - HB3 PRO 112 8.333% * 0.2752% (0.22 1.0 10.00 0.02 0.02) = 0.275% HD3 PRO 31 - HB VAL 80 8.333% * 0.1185% (0.95 1.0 1.00 0.02 0.02) = 0.119% HA1 GLY 71 - HB VAL 80 8.333% * 0.1164% (0.93 1.0 1.00 0.02 0.02) = 0.116% HA VAL 40 - HB VAL 80 8.333% * 0.0951% (0.76 1.0 1.00 0.02 0.12) = 0.095% HA VAL 62 - HB VAL 80 8.333% * 0.0405% (0.32 1.0 1.00 0.02 0.90) = 0.041% HD3 PRO 31 - HB3 PRO 112 8.333% * 0.0329% (0.26 1.0 1.00 0.02 0.02) = 0.033% HA1 GLY 71 - HB3 PRO 112 8.333% * 0.0323% (0.26 1.0 1.00 0.02 0.02) = 0.032% HA VAL 40 - HB3 PRO 112 8.333% * 0.0264% (0.21 1.0 1.00 0.02 0.02) = 0.026% HA1 GLY 30 - HB VAL 80 8.333% * 0.0183% (0.15 1.0 1.00 0.02 0.02) = 0.018% HA VAL 62 - HB3 PRO 112 8.333% * 0.0112% (0.09 1.0 1.00 0.02 0.10) = 0.011% HA1 GLY 30 - HB3 PRO 112 8.333% * 0.0051% (0.04 1.0 1.00 0.02 0.02) = 0.005% Peak 4115 (3.44, 0.94, 22.36 ppm): 18 chemical-shift based assignments, quality = 0.797, support = 2.08, residual support = 15.8: O T HA VAL 62 - QG2 VAL 62 5.556% * 47.4925% (0.92 10.0 10.00 2.95 32.46) = 47.493% kept T HA VAL 80 - QG2 VAL 62 5.556% * 25.8812% (0.71 1.0 10.00 1.41 0.90) = 25.881% kept T HA VAL 80 - QG2 VAL 73 5.556% * 23.1916% (0.67 1.0 10.00 1.34 0.58) = 23.192% kept T HA VAL 62 - QG2 VAL 73 5.556% * 2.5006% (0.87 1.0 10.00 0.11 0.02) = 2.501% kept T HA VAL 40 - QG2 VAL 62 5.556% * 0.3837% (0.74 1.0 10.00 0.02 0.02) = 0.384% T HA VAL 40 - QG2 VAL 73 5.556% * 0.3627% (0.70 1.0 10.00 0.02 0.02) = 0.363% HA ILE 48 - QG2 VAL 62 5.556% * 0.0366% (0.71 1.0 1.00 0.02 9.55) = 0.037% HA ILE 48 - QG2 VAL 73 5.556% * 0.0346% (0.67 1.0 1.00 0.02 0.02) = 0.035% T HA ILE 48 - QG1 VAL 47 5.556% * 0.0320% (0.06 1.0 10.00 0.02 34.45) = 0.032% HD3 PRO 31 - QG2 VAL 62 5.556% * 0.0215% (0.42 1.0 1.00 0.02 0.02) = 0.021% HD3 PRO 31 - QG2 VAL 73 5.556% * 0.0203% (0.39 1.0 1.00 0.02 0.02) = 0.020% HA1 GLY 71 - QG2 VAL 62 5.556% * 0.0148% (0.29 1.0 1.00 0.02 0.24) = 0.015% HA1 GLY 71 - QG2 VAL 73 5.556% * 0.0140% (0.27 1.0 1.00 0.02 0.02) = 0.014% HA VAL 62 - QG1 VAL 47 5.556% * 0.0042% (0.08 1.0 1.00 0.02 0.02) = 0.004% HA VAL 40 - QG1 VAL 47 5.556% * 0.0034% (0.06 1.0 1.00 0.02 0.02) = 0.003% HA VAL 80 - QG1 VAL 47 5.556% * 0.0032% (0.06 1.0 1.00 0.02 0.02) = 0.003% HD3 PRO 31 - QG1 VAL 47 5.556% * 0.0019% (0.04 1.0 1.00 0.02 0.02) = 0.002% HA1 GLY 71 - QG1 VAL 47 5.556% * 0.0013% (0.03 1.0 1.00 0.02 0.02) = 0.001% Reference assignment not found: HA VAL 80 - QG2 VAL 80 Peak 4116 (1.42, 3.17, 42.79 ppm): 26 chemical-shift based assignments, quality = 0.688, support = 2.15, residual support = 7.23: HD3 LYS+ 44 - HB3 PHE 34 3.846% * 80.3215% (0.75 2.59 8.99) = 80.322% kept HG LEU 67 - HB3 PHE 34 3.846% * 12.1900% (0.61 0.49 0.02) = 12.190% kept HD3 LYS+ 20 - HB3 PHE 34 3.846% * 2.5733% (0.30 0.21 0.26) = 2.573% kept QB ALA 37 - HB3 PHE 34 3.846% * 0.6051% (0.74 0.02 0.10) = 0.605% QB ALA 91 - HB3 PHE 34 3.846% * 0.5686% (0.69 0.02 0.02) = 0.569% QG2 THR 38 - HB3 PHE 34 3.846% * 0.5249% (0.64 0.02 0.02) = 0.525% HG13 ILE 100 - HB3 PHE 34 3.846% * 0.4760% (0.58 0.02 0.02) = 0.476% QB ALA 93 - HB3 PHE 34 3.846% * 0.4760% (0.58 0.02 0.02) = 0.476% HD3 LYS+ 113 - HB3 PHE 34 3.846% * 0.4503% (0.55 0.02 0.02) = 0.450% HG3 LYS+ 55 - HB3 PHE 34 3.846% * 0.4241% (0.52 0.02 0.02) = 0.424% HG3 ARG+ 22 - HB3 PHE 34 3.846% * 0.4241% (0.52 0.02 0.19) = 0.424% HG3 LYS+ 113 - HB3 PHE 34 3.846% * 0.3711% (0.45 0.02 0.02) = 0.371% HG LEU 90 - HB3 PHE 34 3.846% * 0.2236% (0.27 0.02 0.02) = 0.224% HD3 LYS+ 44 - HE3 LYS+ 108 3.846% * 0.0390% (0.05 0.02 0.02) = 0.039% QB ALA 37 - HE3 LYS+ 108 3.846% * 0.0380% (0.05 0.02 0.02) = 0.038% QB ALA 91 - HE3 LYS+ 108 3.846% * 0.0357% (0.04 0.02 0.02) = 0.036% QG2 THR 38 - HE3 LYS+ 108 3.846% * 0.0330% (0.04 0.02 0.02) = 0.033% HG LEU 67 - HE3 LYS+ 108 3.846% * 0.0315% (0.04 0.02 0.02) = 0.031% HG13 ILE 100 - HE3 LYS+ 108 3.846% * 0.0299% (0.04 0.02 0.02) = 0.030% QB ALA 93 - HE3 LYS+ 108 3.846% * 0.0299% (0.04 0.02 0.02) = 0.030% HD3 LYS+ 113 - HE3 LYS+ 108 3.846% * 0.0283% (0.03 0.02 0.02) = 0.028% HG3 ARG+ 22 - HE3 LYS+ 108 3.846% * 0.0266% (0.03 0.02 0.02) = 0.027% HG3 LYS+ 55 - HE3 LYS+ 108 3.846% * 0.0266% (0.03 0.02 0.02) = 0.027% HG3 LYS+ 113 - HE3 LYS+ 108 3.846% * 0.0233% (0.03 0.02 0.02) = 0.023% HD3 LYS+ 20 - HE3 LYS+ 108 3.846% * 0.0155% (0.02 0.02 0.02) = 0.015% HG LEU 90 - HE3 LYS+ 108 3.846% * 0.0140% (0.02 0.02 0.02) = 0.014% Peak 4117 (3.17, -0.11, 21.88 ppm): 3 chemical-shift based assignments, quality = 0.892, support = 2.76, residual support = 14.9: * T HB3 PHE 34 - QD1 LEU 43 33.333% * 99.3323% (0.90 10.00 2.78 14.98) = 99.332% kept HD3 ARG+ 84 - QD1 LEU 43 33.333% * 0.6511% (0.96 1.00 0.12 0.02) = 0.651% HB3 HIS+ 98 - QD1 LEU 43 33.333% * 0.0166% (0.15 1.00 0.02 0.02) = 0.017% Peak 4118 (1.39, 5.98, 53.56 ppm): 11 chemical-shift based assignments, quality = 0.808, support = 0.976, residual support = 2.02: HD3 LYS+ 20 - HA ASP- 28 9.091% * 34.0310% (0.88 1.33 4.62) = 34.031% kept HG13 ILE 68 - HA ASP- 28 9.091% * 23.6318% (0.95 0.86 0.54) = 23.632% kept QG2 THR 39 - HA ASP- 28 9.091% * 20.3246% (0.82 0.85 0.43) = 20.325% kept HG2 LYS+ 78 - HA ASP- 28 9.091% * 15.7583% (0.63 0.85 0.47) = 15.758% kept HB3 LYS+ 20 - HA ASP- 28 9.091% * 3.2599% (0.30 0.37 4.62) = 3.260% kept HG LEU 67 - HA ASP- 28 9.091% * 1.8566% (0.52 0.12 0.02) = 1.857% kept QB ALA 93 - HA ASP- 28 9.091% * 0.3238% (0.55 0.02 0.02) = 0.324% HG13 ILE 100 - HA ASP- 28 9.091% * 0.3238% (0.55 0.02 0.02) = 0.324% QB ALA 11 - HA ASP- 28 9.091% * 0.1951% (0.33 0.02 0.02) = 0.195% QB ALA 37 - HA ASP- 28 9.091% * 0.1951% (0.33 0.02 0.02) = 0.195% HB3 LEU 17 - HA ASP- 28 9.091% * 0.1001% (0.17 0.02 0.02) = 0.100% Peak 4119 (8.26, 0.90, 26.07 ppm): 8 chemical-shift based assignments, quality = 0.455, support = 3.3, residual support = 64.3: * HN LEU 67 - QD1 LEU 67 12.500% * 55.8847% (0.27 5.43 115.02) = 55.885% kept HN ASN 89 - QD1 LEU 67 12.500% * 21.8926% (0.62 0.91 0.13) = 21.893% kept HN ASP- 115 - QD1 LEU 67 12.500% * 10.5360% (0.86 0.32 0.02) = 10.536% kept HN THR 106 - QD1 LEU 67 12.500% * 9.1799% (0.80 0.30 0.02) = 9.180% kept HN LYS+ 81 - QD1 LEU 67 12.500% * 1.8769% (0.27 0.18 0.02) = 1.877% kept HN GLU- 12 - QD1 LEU 67 12.500% * 0.2777% (0.36 0.02 0.02) = 0.278% HN ASP- 28 - QD1 LEU 67 12.500% * 0.2058% (0.27 0.02 0.02) = 0.206% HN GLY 58 - QD1 LEU 67 12.500% * 0.1465% (0.19 0.02 0.02) = 0.146% Peak 4120 (9.50, 2.79, 42.86 ppm): 2 chemical-shift based assignments, quality = 0.763, support = 1.83, residual support = 4.12: HE1 TRP 51 - HA2 GLY 58 50.000% * 62.2899% (0.79 2.10 5.39) = 62.290% kept HN ALA 70 - HA2 GLY 58 50.000% * 37.7101% (0.72 1.39 2.01) = 37.710% kept Reference assignment not found: HE1 TRP 51 - HA1 GLY 58 Peak 4121 (9.50, 2.22, 42.86 ppm): 2 chemical-shift based assignments, quality = 0.907, support = 2.14, residual support = 3.91: * HE1 TRP 51 - HA1 GLY 58 50.000% * 56.2880% (0.94 2.29 5.39) = 56.288% kept HN ALA 70 - HA1 GLY 58 50.000% * 43.7120% (0.86 1.94 2.01) = 43.712% kept Peak 4122 (7.15, 1.78, 32.81 ppm): 2 chemical-shift based assignments, quality = 0.2, support = 0.82, residual support = 0.763: HD1 TRP 51 - HB2 LYS+ 117 50.000% * 95.8706% (0.19 0.85 0.80) = 95.871% kept HD1 TRP 51 - HB3 LYS+ 63 50.000% * 4.1294% (0.36 0.02 0.02) = 4.129% kept Reference assignment not found: HD1 TRP 51 - HB2 PRO 59 Not enough quality. Peak unassigned. Peak 4123 (7.16, 1.94, 32.81 ppm): 5 chemical-shift based assignments, quality = 0.598, support = 0.02, residual support = 1.44: HD1 TRP 51 - HB3 LYS+ 55 20.000% * 37.7571% (0.83 0.02 0.24) = 37.757% kept HD1 TRP 51 - HB2 PRO 35 20.000% * 29.8124% (0.66 0.02 0.02) = 29.812% kept HD1 TRP 51 - HB VAL 13 20.000% * 15.8969% (0.35 0.02 8.37) = 15.897% kept HD1 TRP 51 - HB2 PRO 116 20.000% * 9.1493% (0.20 0.02 0.02) = 9.149% kept HD1 TRP 51 - HB2 GLU- 75 20.000% * 7.3844% (0.16 0.02 0.12) = 7.384% kept Reference assignment not found: HD1 TRP 51 - HB3 PRO 59 Not enough support, support cutoff is 0.27 Peak unassigned. Peak 4124 (8.74, 1.78, 32.81 ppm): 8 chemical-shift based assignments, quality = 0.239, support = 2.61, residual support = 12.7: HN VAL 62 - HB3 LYS+ 63 12.500% * 62.7678% (0.19 3.55 20.04) = 62.768% kept HN GLU- 56 - HB3 LYS+ 63 12.500% * 35.3170% (0.34 1.09 0.36) = 35.317% kept HN ILE 101 - HB3 LYS+ 63 12.500% * 0.6589% (0.35 0.02 0.02) = 0.659% HN ILE 101 - HB2 LYS+ 117 12.500% * 0.3580% (0.19 0.02 0.02) = 0.358% HN GLU- 56 - HB2 LYS+ 117 12.500% * 0.3524% (0.19 0.02 0.02) = 0.352% HN PHE 34 - HB3 LYS+ 63 12.500% * 0.2293% (0.12 0.02 0.02) = 0.229% HN VAL 62 - HB2 LYS+ 117 12.500% * 0.1921% (0.10 0.02 0.02) = 0.192% HN PHE 34 - HB2 LYS+ 117 12.500% * 0.1246% (0.07 0.02 0.02) = 0.125% Peak 4125 (8.74, 1.94, 32.81 ppm): 20 chemical-shift based assignments, quality = 0.745, support = 3.25, residual support = 12.8: HN GLU- 56 - HB3 LYS+ 55 5.000% * 76.1157% (0.85 3.95 16.74) = 76.116% kept HN PHE 34 - HB2 PRO 35 5.000% * 10.3625% (0.24 1.93 0.35) = 10.363% kept HN ILE 101 - HB3 LYS+ 55 5.000% * 5.6014% (0.87 0.29 0.02) = 5.601% kept HN VAL 62 - HB3 LYS+ 55 5.000% * 3.1618% (0.46 0.30 0.02) = 3.162% kept HN PHE 34 - HB3 LYS+ 55 5.000% * 3.0165% (0.30 0.44 0.02) = 3.017% kept HN ILE 101 - HB2 PRO 35 5.000% * 0.3087% (0.68 0.02 0.02) = 0.309% HN GLU- 56 - HB2 PRO 35 5.000% * 0.3040% (0.67 0.02 0.02) = 0.304% HN VAL 62 - HB2 PRO 35 5.000% * 0.1657% (0.37 0.02 0.02) = 0.166% HN ILE 101 - HB VAL 13 5.000% * 0.1646% (0.36 0.02 0.02) = 0.165% HN GLU- 56 - HB VAL 13 5.000% * 0.1621% (0.36 0.02 0.02) = 0.162% HN ILE 101 - HB2 PRO 116 5.000% * 0.0947% (0.21 0.02 0.02) = 0.095% HN GLU- 56 - HB2 PRO 116 5.000% * 0.0933% (0.21 0.02 0.02) = 0.093% HN VAL 62 - HB VAL 13 5.000% * 0.0884% (0.20 0.02 0.02) = 0.088% HN ILE 101 - HB2 GLU- 75 5.000% * 0.0765% (0.17 0.02 1.35) = 0.076% HN GLU- 56 - HB2 GLU- 75 5.000% * 0.0753% (0.17 0.02 0.02) = 0.075% HN PHE 34 - HB VAL 13 5.000% * 0.0573% (0.13 0.02 0.02) = 0.057% HN VAL 62 - HB2 PRO 116 5.000% * 0.0509% (0.11 0.02 0.02) = 0.051% HN VAL 62 - HB2 GLU- 75 5.000% * 0.0410% (0.09 0.02 0.02) = 0.041% HN PHE 34 - HB2 PRO 116 5.000% * 0.0330% (0.07 0.02 0.02) = 0.033% HN PHE 34 - HB2 GLU- 75 5.000% * 0.0266% (0.06 0.02 0.02) = 0.027% Peak 4126 (1.79, 1.78, 32.81 ppm): 1 diagonal assignment: HB3 LYS+ 63 - HB3 LYS+ 63 (0.33) kept Reference assignment not found: HB2 PRO 59 - HB2 PRO 59 Peak 4127 (1.94, 1.94, 32.81 ppm): 5 diagonal assignments: HB3 LYS+ 55 - HB3 LYS+ 55 (0.79) kept HB2 PRO 35 - HB2 PRO 35 (0.45) kept HB2 PRO 116 - HB2 PRO 116 (0.20) kept HB VAL 13 - HB VAL 13 (0.20) kept HB2 GLU- 75 - HB2 GLU- 75 (0.17) kept Reference assignment not found: HB3 PRO 59 - HB3 PRO 59 Peak 4128 (8.32, 1.16, 27.45 ppm): 7 chemical-shift based assignments, quality = 0.668, support = 0.863, residual support = 0.705: HN GLY 114 - HG3 PRO 59 14.286% * 39.7019% (0.75 1.08 0.99) = 39.702% kept HN GLU- 50 - HG3 PRO 59 14.286% * 25.5643% (0.55 0.96 0.81) = 25.564% kept HN ASN 76 - HG3 PRO 59 14.286% * 22.1721% (0.74 0.61 0.46) = 22.172% kept HN VAL 99 - HG3 PRO 59 14.286% * 12.1044% (0.55 0.45 0.02) = 12.104% kept HN ALA 91 - HG3 PRO 59 14.286% * 0.1641% (0.17 0.02 0.02) = 0.164% HN GLU- 109 - HG3 PRO 59 14.286% * 0.1641% (0.17 0.02 0.02) = 0.164% HN ALA 103 - HG3 PRO 59 14.286% * 0.1291% (0.13 0.02 0.02) = 0.129% Peak 4129 (1.85, 1.85, 34.50 ppm): 2 diagonal assignments: * HB3 LYS+ 60 - HB3 LYS+ 60 (0.86) kept HB2 LYS+ 66 - HB2 LYS+ 66 (0.73) kept Peak 4130 (1.45, 1.45, 25.03 ppm): 2 diagonal assignments: * HG3 LYS+ 60 - HG3 LYS+ 60 (0.95) kept HG3 LYS+ 113 - HG3 LYS+ 113 (0.31) kept Peak 4131 (1.56, 4.36, 56.28 ppm): 20 chemical-shift based assignments, quality = 0.606, support = 3.47, residual support = 43.7: T HD3 LYS+ 60 - HA LYS+ 60 5.000% * 96.5972% (0.62 10.00 3.59 45.24) = 96.597% kept HB ILE 19 - HA LYS+ 60 5.000% * 1.6092% (0.59 1.00 0.35 0.42) = 1.609% kept T HD3 LYS+ 60 - HA TRP 51 5.000% * 0.6876% (0.44 10.00 0.02 0.02) = 0.688% HD3 LYS+ 81 - HA LYS+ 60 5.000% * 0.0975% (0.62 1.00 0.02 0.13) = 0.097% HG LEU 17 - HA LYS+ 60 5.000% * 0.0941% (0.60 1.00 0.02 0.02) = 0.094% QB ALA 42 - HA LYS+ 60 5.000% * 0.0874% (0.56 1.00 0.02 0.02) = 0.087% HG12 ILE 29 - HA LYS+ 60 5.000% * 0.0874% (0.56 1.00 0.02 0.02) = 0.087% HB3 LEU 90 - HA LYS+ 60 5.000% * 0.0814% (0.52 1.00 0.02 0.02) = 0.081% HG13 ILE 29 - HA LYS+ 60 5.000% * 0.0708% (0.45 1.00 0.02 0.02) = 0.071% HD3 LYS+ 81 - HA TRP 51 5.000% * 0.0694% (0.44 1.00 0.02 0.02) = 0.069% HG LEU 17 - HA TRP 51 5.000% * 0.0670% (0.43 1.00 0.02 0.16) = 0.067% HB ILE 19 - HA TRP 51 5.000% * 0.0656% (0.42 1.00 0.02 0.48) = 0.066% HG12 ILE 29 - HA TRP 51 5.000% * 0.0622% (0.40 1.00 0.02 7.56) = 0.062% QB ALA 42 - HA TRP 51 5.000% * 0.0622% (0.40 1.00 0.02 0.02) = 0.062% QG2 THR 24 - HA LYS+ 60 5.000% * 0.0591% (0.38 1.00 0.02 0.02) = 0.059% HB3 LEU 90 - HA TRP 51 5.000% * 0.0579% (0.37 1.00 0.02 0.02) = 0.058% HG13 ILE 29 - HA TRP 51 5.000% * 0.0504% (0.32 1.00 0.02 7.56) = 0.050% QG2 THR 24 - HA TRP 51 5.000% * 0.0421% (0.27 1.00 0.02 0.02) = 0.042% HB3 LYS+ 32 - HA LYS+ 60 5.000% * 0.0301% (0.19 1.00 0.02 0.16) = 0.030% HB3 LYS+ 32 - HA TRP 51 5.000% * 0.0214% (0.14 1.00 0.02 1.46) = 0.021% Peak 4132 (8.84, 1.57, 28.87 ppm): 8 chemical-shift based assignments, quality = 0.578, support = 4.48, residual support = 41.3: * HN LYS+ 60 - HD3 LYS+ 60 12.500% * 85.6708% (0.63 4.98 45.24) = 85.671% kept HN LYS+ 32 - HD3 LYS+ 60 12.500% * 7.3495% (0.43 0.62 0.16) = 7.349% kept HN LYS+ 32 - HD3 LYS+ 32 12.500% * 6.5803% (0.10 2.49 38.07) = 6.580% kept HN ASN 57 - HD3 LYS+ 60 12.500% * 0.1850% (0.34 0.02 0.02) = 0.185% HN ILE 68 - HD3 LYS+ 60 12.500% * 0.0788% (0.14 0.02 0.02) = 0.079% HN LYS+ 60 - HD3 LYS+ 32 12.500% * 0.0767% (0.14 0.02 0.16) = 0.077% HN ASN 57 - HD3 LYS+ 32 12.500% * 0.0413% (0.08 0.02 0.02) = 0.041% HN ILE 68 - HD3 LYS+ 32 12.500% * 0.0176% (0.03 0.02 0.02) = 0.018% Peak 4133 (4.36, 1.57, 28.87 ppm): 16 chemical-shift based assignments, quality = 0.67, support = 3.3, residual support = 39.5: * T HA LYS+ 60 - HD3 LYS+ 60 6.250% * 83.0584% (0.66 10.00 3.59 45.24) = 83.058% kept HB THR 61 - HD3 LYS+ 60 6.250% * 12.5995% (0.81 1.00 2.48 15.13) = 12.600% kept HA ALA 37 - HD3 LYS+ 60 6.250% * 1.5200% (0.57 1.00 0.43 0.02) = 1.520% kept HA2 GLY 26 - HD3 LYS+ 60 6.250% * 1.4526% (0.82 1.00 0.28 0.02) = 1.453% kept T HA TRP 51 - HD3 LYS+ 60 6.250% * 0.8664% (0.69 10.00 0.02 0.02) = 0.866% HA SER 27 - HD3 LYS+ 60 6.250% * 0.2972% (0.53 1.00 0.09 0.02) = 0.297% HA ALA 91 - HD3 LYS+ 60 6.250% * 0.0426% (0.34 1.00 0.02 0.02) = 0.043% HA SER 88 - HD3 LYS+ 60 6.250% * 0.0320% (0.25 1.00 0.02 0.02) = 0.032% HA2 GLY 26 - HD3 LYS+ 32 6.250% * 0.0231% (0.18 1.00 0.02 0.02) = 0.023% HB THR 61 - HD3 LYS+ 32 6.250% * 0.0227% (0.18 1.00 0.02 0.40) = 0.023% HA TRP 51 - HD3 LYS+ 32 6.250% * 0.0193% (0.15 1.00 0.02 1.46) = 0.019% HA LYS+ 60 - HD3 LYS+ 32 6.250% * 0.0185% (0.15 1.00 0.02 0.16) = 0.019% HA ALA 37 - HD3 LYS+ 32 6.250% * 0.0159% (0.13 1.00 0.02 0.02) = 0.016% HA SER 27 - HD3 LYS+ 32 6.250% * 0.0150% (0.12 1.00 0.02 0.02) = 0.015% HA ALA 91 - HD3 LYS+ 32 6.250% * 0.0095% (0.08 1.00 0.02 0.02) = 0.010% HA SER 88 - HD3 LYS+ 32 6.250% * 0.0071% (0.06 1.00 0.02 0.02) = 0.007% Peak 4134 (2.36, 2.36, 31.85 ppm): 1 diagonal assignment: * HB2 GLU- 64 - HB2 GLU- 64 (0.99) kept Peak 4135 (7.42, 2.36, 31.85 ppm): 4 chemical-shift based assignments, quality = 0.404, support = 4.28, residual support = 49.9: O HN GLU- 64 - HB2 GLU- 64 25.000% * 87.0643% (0.34 10.0 4.74 57.10) = 87.064% kept HN THR 61 - HB2 GLU- 64 25.000% * 12.9147% (0.83 1.0 1.21 1.68) = 12.915% kept HN THR 61 - HB3 PRO 86 25.000% * 0.0149% (0.06 1.0 0.02 0.02) = 0.015% HN GLU- 64 - HB3 PRO 86 25.000% * 0.0061% (0.02 1.0 0.02 0.02) = 0.006% Reference assignment not found: HN GLU- 64 - HB3 GLU- 64 Peak 4136 (4.25, 2.03, 31.82 ppm): 42 chemical-shift based assignments, quality = 0.583, support = 4.24, residual support = 43.6: * O HA GLU- 64 - HB3 GLU- 64 2.381% * 64.2359% (0.72 10.0 5.23 57.10) = 64.236% kept O HA GLU- 75 - HB3 GLU- 75 2.381% * 28.7297% (0.32 10.0 2.97 24.21) = 28.730% kept HA PRO 59 - HB3 GLU- 64 2.381% * 1.8725% (0.91 1.0 0.46 0.02) = 1.873% kept HA ASN 76 - HB3 GLU- 75 2.381% * 1.7810% (0.42 1.0 0.96 0.02) = 1.781% kept HA ALA 11 - HB3 GLU- 75 2.381% * 1.0123% (0.42 1.0 0.54 0.02) = 1.012% kept HA GLU- 56 - HB3 GLU- 75 2.381% * 0.5201% (0.24 1.0 0.49 0.02) = 0.520% HA GLU- 10 - HB3 GLU- 75 2.381% * 0.3175% (0.29 1.0 0.25 0.02) = 0.318% HA LEU 90 - HB3 GLU- 75 2.381% * 0.1662% (0.06 1.0 0.65 0.39) = 0.166% HB3 SER 49 - HB3 GLU- 75 2.381% * 0.1537% (0.13 1.0 0.26 0.02) = 0.154% HA ALA 11 - HB3 GLU- 64 2.381% * 0.0885% (0.99 1.0 0.02 0.02) = 0.088% HA ASN 76 - HB3 GLU- 64 2.381% * 0.0877% (0.98 1.0 0.02 0.02) = 0.088% HA GLU- 107 - HB3 GLU- 64 2.381% * 0.0867% (0.97 1.0 0.02 0.02) = 0.087% HA ASN 119 - HB3 GLU- 64 2.381% * 0.0867% (0.97 1.0 0.02 0.02) = 0.087% HA GLU- 75 - HB3 GLU- 64 2.381% * 0.0676% (0.76 1.0 0.02 0.02) = 0.068% HA GLU- 54 - HB3 GLU- 64 2.381% * 0.0608% (0.68 1.0 0.02 0.02) = 0.061% HA GLU- 10 - HB3 GLU- 64 2.381% * 0.0608% (0.68 1.0 0.02 0.02) = 0.061% HA LYS+ 108 - HB3 GLU- 64 2.381% * 0.0608% (0.68 1.0 0.02 0.02) = 0.061% HA GLU- 56 - HB3 GLU- 64 2.381% * 0.0501% (0.56 1.0 0.02 0.02) = 0.050% HA ALA 42 - HB3 GLU- 64 2.381% * 0.0431% (0.48 1.0 0.02 0.02) = 0.043% HA ASN 119 - HB3 GLU- 75 2.381% * 0.0368% (0.41 1.0 0.02 0.02) = 0.037% HA GLU- 107 - HB3 GLU- 75 2.381% * 0.0368% (0.41 1.0 0.02 0.02) = 0.037% HA SER 49 - HB3 GLU- 64 2.381% * 0.0364% (0.41 1.0 0.02 0.80) = 0.036% HA PRO 59 - HB3 GLU- 75 2.381% * 0.0347% (0.39 1.0 0.02 0.22) = 0.035% HA SER 85 - HB3 GLU- 64 2.381% * 0.0302% (0.34 1.0 0.02 0.02) = 0.030% HA ARG+ 84 - HB3 GLU- 64 2.381% * 0.0302% (0.34 1.0 0.02 0.02) = 0.030% HA PRO 52 - HB3 GLU- 64 2.381% * 0.0302% (0.34 1.0 0.02 0.02) = 0.030% HB3 SER 49 - HB3 GLU- 64 2.381% * 0.0276% (0.31 1.0 0.02 0.80) = 0.028% HA VAL 94 - HB3 GLU- 64 2.381% * 0.0273% (0.31 1.0 0.02 0.02) = 0.027% HA GLU- 64 - HB3 GLU- 75 2.381% * 0.0273% (0.31 1.0 0.02 0.02) = 0.027% HA GLU- 54 - HB3 GLU- 75 2.381% * 0.0258% (0.29 1.0 0.02 0.02) = 0.026% HA LYS+ 108 - HB3 GLU- 75 2.381% * 0.0258% (0.29 1.0 0.02 0.02) = 0.026% HA GLU- 109 - HB3 GLU- 64 2.381% * 0.0221% (0.25 1.0 0.02 0.02) = 0.022% HA ALA 42 - HB3 GLU- 75 2.381% * 0.0183% (0.20 1.0 0.02 0.02) = 0.018% HA VAL 122 - HB3 GLU- 64 2.381% * 0.0155% (0.17 1.0 0.02 0.02) = 0.015% HA SER 49 - HB3 GLU- 75 2.381% * 0.0155% (0.17 1.0 0.02 0.02) = 0.015% HA SER 85 - HB3 GLU- 75 2.381% * 0.0128% (0.14 1.0 0.02 0.02) = 0.013% HA ARG+ 84 - HB3 GLU- 75 2.381% * 0.0128% (0.14 1.0 0.02 0.02) = 0.013% HA PRO 52 - HB3 GLU- 75 2.381% * 0.0128% (0.14 1.0 0.02 0.02) = 0.013% HA LEU 90 - HB3 GLU- 64 2.381% * 0.0120% (0.13 1.0 0.02 0.02) = 0.012% HA VAL 94 - HB3 GLU- 75 2.381% * 0.0116% (0.13 1.0 0.02 0.02) = 0.012% HA GLU- 109 - HB3 GLU- 75 2.381% * 0.0094% (0.10 1.0 0.02 0.02) = 0.009% HA VAL 122 - HB3 GLU- 75 2.381% * 0.0066% (0.07 1.0 0.02 0.02) = 0.007% Peak 4137 (2.02, 2.02, 31.82 ppm): 2 diagonal assignments: * HB3 GLU- 64 - HB3 GLU- 64 (0.99) kept HB3 GLU- 75 - HB3 GLU- 75 (0.19) kept Peak 4138 (0.70, 0.70, 21.19 ppm): 2 diagonal assignments: * QG1 VAL 65 - QG1 VAL 65 (1.00) kept QG2 THR 96 - QG2 THR 96 (0.31) kept Peak 4139 (2.28, 3.52, 61.26 ppm): 10 chemical-shift based assignments, quality = 0.829, support = 3.34, residual support = 52.7: * O HB2 LYS+ 44 - HA LYS+ 44 10.000% * 93.3009% (0.83 10.0 3.53 56.31) = 93.301% kept HG3 GLU- 75 - HA LYS+ 44 10.000% * 4.3193% (0.86 1.0 0.90 3.27) = 4.319% kept HG2 PRO 112 - HA LYS+ 44 10.000% * 1.9375% (0.92 1.0 0.37 0.27) = 1.937% kept HB3 PRO 112 - HA LYS+ 44 10.000% * 0.1056% (0.94 1.0 0.02 0.27) = 0.106% HB3 LYS+ 117 - HA LYS+ 44 10.000% * 0.0965% (0.86 1.0 0.02 0.02) = 0.096% HB VAL 80 - HA LYS+ 44 10.000% * 0.0898% (0.80 1.0 0.02 0.12) = 0.090% HG3 GLU- 54 - HA LYS+ 44 10.000% * 0.0524% (0.47 1.0 0.02 0.02) = 0.052% HG3 GLU- 107 - HA LYS+ 44 10.000% * 0.0442% (0.39 1.0 0.02 0.02) = 0.044% HB3 PRO 116 - HA LYS+ 44 10.000% * 0.0299% (0.27 1.0 0.02 0.02) = 0.030% HG2 GLU- 64 - HA LYS+ 44 10.000% * 0.0239% (0.21 1.0 0.02 0.02) = 0.024% Peak 4140 (3.48, 2.28, 33.13 ppm): 4 chemical-shift based assignments, quality = 0.431, support = 0.652, residual support = 0.17: T HA VAL 80 - HB2 LYS+ 44 25.000% * 45.6735% (0.12 10.00 0.61 0.12) = 45.673% kept HA1 GLY 30 - HB2 LYS+ 44 25.000% * 39.6155% (0.80 1.00 0.82 0.11) = 39.615% kept HA1 GLY 71 - HB2 LYS+ 44 25.000% * 7.4735% (0.45 1.00 0.28 0.02) = 7.473% kept HD3 PRO 31 - HB2 LYS+ 44 25.000% * 7.2376% (0.31 1.00 0.38 0.98) = 7.238% kept Reference assignment not found: HA LYS+ 44 - HB2 LYS+ 44 Peak 4141 (2.28, 2.28, 33.13 ppm): 1 diagonal assignment: * HB2 LYS+ 44 - HB2 LYS+ 44 (0.77) kept Peak 4142 (7.92, 1.49, 33.13 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HN LYS+ 44 - HB3 LYS+ 44 Peak unassigned. Peak 4143 (0.74, 1.49, 33.13 ppm): 8 chemical-shift based assignments, quality = 0.861, support = 3.2, residual support = 54.1: * O HG3 LYS+ 44 - HB3 LYS+ 44 12.500% * 96.0573% (0.88 10.0 3.30 56.31) = 96.057% kept QG2 ILE 48 - HB3 LYS+ 44 12.500% * 2.6347% (0.49 1.0 0.98 0.51) = 2.635% kept QG2 VAL 65 - HB3 LYS+ 44 12.500% * 0.9871% (0.79 1.0 0.23 0.02) = 0.987% HG3 LYS+ 66 - HB3 LYS+ 44 12.500% * 0.0961% (0.88 1.0 0.02 0.24) = 0.096% QD1 ILE 68 - HB3 LYS+ 44 12.500% * 0.0802% (0.74 1.0 0.02 0.17) = 0.080% QG1 VAL 40 - HB3 LYS+ 44 12.500% * 0.0769% (0.71 1.0 0.02 0.30) = 0.077% HG LEU 74 - HB3 LYS+ 44 12.500% * 0.0361% (0.33 1.0 0.02 0.61) = 0.036% QG2 ILE 101 - HB3 LYS+ 44 12.500% * 0.0316% (0.29 1.0 0.02 0.02) = 0.032% Peak 4144 (3.50, 1.49, 33.13 ppm): 3 chemical-shift based assignments, quality = 0.225, support = 3.83, residual support = 53.0: * O T HA LYS+ 44 - HB3 LYS+ 44 33.333% * 94.0518% (0.20 10.0 10.00 4.05 56.31) = 94.052% kept HA1 GLY 30 - HB3 LYS+ 44 33.333% * 5.8911% (0.67 1.0 1.00 0.36 0.11) = 5.891% kept HA1 GLY 26 - HB3 LYS+ 44 33.333% * 0.0572% (0.12 1.0 1.00 0.02 0.02) = 0.057% Peak 4145 (1.47, 2.28, 33.13 ppm): 7 chemical-shift based assignments, quality = 0.767, support = 3.37, residual support = 55.3: * O HB3 LYS+ 44 - HB2 LYS+ 44 14.286% * 98.1642% (0.77 10.0 3.42 56.31) = 98.164% kept QB ALA 70 - HB2 LYS+ 44 14.286% * 1.4241% (0.74 1.0 0.30 0.02) = 1.424% kept HB3 LEU 67 - HB2 LYS+ 44 14.286% * 0.1112% (0.87 1.0 0.02 0.80) = 0.111% HG3 PRO 52 - HB2 LYS+ 44 14.286% * 0.1054% (0.83 1.0 0.02 0.02) = 0.105% HG13 ILE 48 - HB2 LYS+ 44 14.286% * 0.0807% (0.63 1.0 0.02 0.51) = 0.081% HG2 PRO 59 - HB2 LYS+ 44 14.286% * 0.0572% (0.45 1.0 0.02 0.02) = 0.057% HG3 LYS+ 60 - HB2 LYS+ 44 14.286% * 0.0572% (0.45 1.0 0.02 0.02) = 0.057% Peak 4146 (0.74, 2.28, 33.13 ppm): 8 chemical-shift based assignments, quality = 0.915, support = 3.18, residual support = 55.8: * O HG3 LYS+ 44 - HB2 LYS+ 44 12.500% * 99.0748% (0.92 10.0 3.21 56.31) = 99.075% kept QG2 ILE 48 - HB2 LYS+ 44 12.500% * 0.5054% (0.52 1.0 0.18 0.51) = 0.505% HG3 LYS+ 66 - HB2 LYS+ 44 12.500% * 0.0991% (0.92 1.0 0.02 0.24) = 0.099% QG2 VAL 65 - HB2 LYS+ 44 12.500% * 0.0889% (0.83 1.0 0.02 0.02) = 0.089% QD1 ILE 68 - HB2 LYS+ 44 12.500% * 0.0828% (0.77 1.0 0.02 0.17) = 0.083% QG1 VAL 40 - HB2 LYS+ 44 12.500% * 0.0793% (0.74 1.0 0.02 0.30) = 0.079% HG LEU 74 - HB2 LYS+ 44 12.500% * 0.0372% (0.35 1.0 0.02 0.61) = 0.037% QG2 ILE 101 - HB2 LYS+ 44 12.500% * 0.0326% (0.30 1.0 0.02 0.02) = 0.033% Peak 4147 (1.47, 2.15, 31.04 ppm): 21 chemical-shift based assignments, quality = 0.612, support = 2.52, residual support = 19.1: HG13 ILE 48 - HB VAL 47 4.762% * 43.1546% (0.65 4.24 34.45) = 43.155% kept * HB3 LYS+ 44 - HB VAL 47 4.762% * 17.7155% (0.79 1.43 21.28) = 17.715% kept HB3 LYS+ 44 - HB3 GLU- 75 4.762% * 12.5022% (0.50 1.61 3.27) = 12.502% kept HB3 LEU 67 - HB3 GLU- 75 4.762% * 12.3432% (0.57 1.40 0.26) = 12.343% kept HG3 LYS+ 60 - HB3 GLU- 75 4.762% * 3.4316% (0.29 0.76 0.18) = 3.432% kept QB ALA 70 - HB3 GLU- 75 4.762% * 2.7921% (0.48 0.38 0.02) = 2.792% kept HG2 PRO 59 - HB3 GLU- 75 4.762% * 2.2673% (0.29 0.50 0.22) = 2.267% kept HG13 ILE 48 - HB3 GLU- 75 4.762% * 1.7829% (0.41 0.28 0.02) = 1.783% kept HG3 PRO 52 - HB3 GLU- 75 4.762% * 1.4391% (0.54 0.17 0.02) = 1.439% kept HG3 PRO 52 - HB VAL 47 4.762% * 1.3832% (0.85 0.10 0.02) = 1.383% kept HB3 LEU 67 - HB VAL 47 4.762% * 0.2801% (0.90 0.02 0.46) = 0.280% QB ALA 70 - HB VAL 47 4.762% * 0.2371% (0.76 0.02 0.02) = 0.237% HG3 LYS+ 60 - HB VAL 47 4.762% * 0.1441% (0.46 0.02 0.02) = 0.144% HG2 PRO 59 - HB VAL 47 4.762% * 0.1441% (0.46 0.02 0.02) = 0.144% HB3 LEU 67 - HB2 GLU- 56 4.762% * 0.0705% (0.23 0.02 0.02) = 0.070% HG3 PRO 52 - HB2 GLU- 56 4.762% * 0.0668% (0.21 0.02 0.02) = 0.067% HB3 LYS+ 44 - HB2 GLU- 56 4.762% * 0.0622% (0.20 0.02 0.02) = 0.062% QB ALA 70 - HB2 GLU- 56 4.762% * 0.0596% (0.19 0.02 0.02) = 0.060% HG13 ILE 48 - HB2 GLU- 56 4.762% * 0.0512% (0.16 0.02 0.02) = 0.051% HG2 PRO 59 - HB2 GLU- 56 4.762% * 0.0363% (0.12 0.02 0.02) = 0.036% HG3 LYS+ 60 - HB2 GLU- 56 4.762% * 0.0363% (0.12 0.02 0.02) = 0.036% Peak 4148 (0.74, 0.73, 23.14 ppm): 2 diagonal assignments: * HG3 LYS+ 44 - HG3 LYS+ 44 (0.92) kept QG2 VAL 65 - QG2 VAL 65 (0.89) kept Peak 4149 (0.81, 0.81, 27.87 ppm): 1 diagonal assignment: QD2 LEU 67 - QD2 LEU 67 (0.92) kept Reference assignment not found: HD3 LYS+ 44 - HD3 LYS+ 44 Peak 4150 (1.48, 0.81, 27.87 ppm): 9 chemical-shift based assignments, quality = 0.823, support = 3.47, residual support = 94.8: O T HB3 LEU 67 - QD2 LEU 67 11.111% * 82.3502% (0.83 10.0 10.00 4.11 115.02) = 82.350% kept T HG3 PRO 52 - QD2 LEU 67 11.111% * 13.3487% (0.76 1.0 10.00 0.35 0.14) = 13.349% kept HB3 LYS+ 44 - QD2 LEU 67 11.111% * 4.0537% (0.94 1.0 1.00 0.87 0.80) = 4.054% kept QB ALA 70 - QD2 LEU 67 11.111% * 0.0910% (0.92 1.0 1.00 0.02 0.02) = 0.091% HG13 ILE 48 - QD2 LEU 67 11.111% * 0.0519% (0.52 1.0 1.00 0.02 0.17) = 0.052% HG2 PRO 59 - QD2 LEU 67 11.111% * 0.0336% (0.34 1.0 1.00 0.02 0.80) = 0.034% HG3 LYS+ 60 - QD2 LEU 67 11.111% * 0.0336% (0.34 1.0 1.00 0.02 0.02) = 0.034% HD3 LYS+ 108 - QD2 LEU 67 11.111% * 0.0219% (0.22 1.0 1.00 0.02 0.02) = 0.022% HB2 LYS+ 72 - QD2 LEU 67 11.111% * 0.0152% (0.15 1.0 1.00 0.02 0.21) = 0.015% Reference assignment not found: HB3 LYS+ 44 - HD3 LYS+ 44 Peak 4151 (0.93, 4.23, 55.11 ppm): 14 chemical-shift based assignments, quality = 0.162, support = 0.492, residual support = 0.115: QG2 VAL 80 - HA ALA 42 7.143% * 31.3542% (0.21 0.57 0.02) = 31.354% kept HG3 LYS+ 110 - HA ALA 42 7.143% * 30.2879% (0.22 0.53 0.34) = 30.288% kept QG2 VAL 40 - HA ALA 42 7.143% * 9.0534% (0.04 0.79 0.02) = 9.053% kept QD1 LEU 67 - HA ALA 42 7.143% * 8.6051% (0.07 0.48 0.02) = 8.605% kept HG3 LYS+ 117 - HA ALA 42 7.143% * 7.4779% (0.08 0.34 0.02) = 7.478% kept HG12 ILE 68 - HA ALA 42 7.143% * 4.8090% (0.22 0.08 0.02) = 4.809% kept QG1 VAL 47 - HA ALA 42 7.143% * 3.7790% (0.05 0.26 0.02) = 3.779% kept QG2 VAL 105 - HA ALA 42 7.143% * 1.0387% (0.20 0.02 0.02) = 1.039% kept QD1 LEU 17 - HA ALA 42 7.143% * 1.0046% (0.19 0.02 0.02) = 1.005% kept QG1 VAL 105 - HA ALA 42 7.143% * 0.9674% (0.18 0.02 0.02) = 0.967% QG2 VAL 62 - HA ALA 42 7.143% * 0.5637% (0.11 0.02 0.02) = 0.564% QG2 VAL 73 - HA ALA 42 7.143% * 0.4347% (0.08 0.02 0.02) = 0.435% QG2 ILE 29 - HA ALA 42 7.143% * 0.3951% (0.07 0.02 0.02) = 0.395% QG2 VAL 87 - HA ALA 42 7.143% * 0.2292% (0.04 0.02 0.02) = 0.229% Not enough quality. Peak unassigned. Peak 4152 (2.22, 4.23, 55.13 ppm): 14 chemical-shift based assignments, quality = 0.18, support = 0.744, residual support = 3.14: * T HB3 GLU- 45 - HA ALA 42 7.143% * 89.7771% (0.18 10.00 0.83 3.50) = 89.777% kept T HG3 GLU- 109 - HA ALA 42 7.143% * 3.1344% (0.26 10.00 0.02 0.02) = 3.134% kept T HB2 GLU- 50 - HA ALA 42 7.143% * 2.9192% (0.24 10.00 0.02 0.02) = 2.919% kept T HG3 GLU- 10 - HA ALA 42 7.143% * 1.7904% (0.15 10.00 0.02 0.02) = 1.790% kept HG2 PRO 112 - HA ALA 42 7.143% * 0.3162% (0.26 1.00 0.02 0.02) = 0.316% HG3 GLN 102 - HA ALA 42 7.143% * 0.3155% (0.26 1.00 0.02 0.02) = 0.316% HB2 PRO 52 - HA ALA 42 7.143% * 0.3134% (0.26 1.00 0.02 0.02) = 0.313% HG3 GLU- 18 - HA ALA 42 7.143% * 0.3052% (0.25 1.00 0.02 0.02) = 0.305% HG3 MET 97 - HA ALA 42 7.143% * 0.2641% (0.22 1.00 0.02 0.02) = 0.264% HA1 GLY 58 - HA ALA 42 7.143% * 0.2641% (0.22 1.00 0.02 0.02) = 0.264% HG3 MET 126 - HA ALA 42 7.143% * 0.2296% (0.19 1.00 0.02 0.02) = 0.230% HG3 GLN 16 - HA ALA 42 7.143% * 0.1918% (0.16 1.00 0.02 0.02) = 0.192% HB3 ASN 15 - HA ALA 42 7.143% * 0.1300% (0.11 1.00 0.02 0.02) = 0.130% HG2 MET 126 - HA ALA 42 7.143% * 0.0488% (0.04 1.00 0.02 0.02) = 0.049% Not enough quality. Peak unassigned. Peak 4153 (1.17, 1.16, 41.76 ppm): 2 diagonal assignments: * HB2 LEU 43 - HB2 LEU 43 (0.87) kept HB2 LEU 74 - HB2 LEU 74 (0.46) kept Peak 4154 (1.16, 1.62, 25.80 ppm): 5 chemical-shift based assignments, quality = 0.694, support = 4.93, residual support = 178.4: * O T HB2 LEU 43 - HG LEU 43 20.000% * 99.1290% (0.70 10.0 10.00 4.97 179.96) = 99.129% kept T HB2 LEU 74 - HG LEU 43 20.000% * 0.6230% (0.44 1.0 10.00 0.02 1.31) = 0.623% HG3 PRO 59 - HG LEU 43 20.000% * 0.1018% (0.72 1.0 1.00 0.02 0.02) = 0.102% QG2 THR 106 - HG LEU 43 20.000% * 0.0921% (0.65 1.0 1.00 0.02 0.02) = 0.092% QB ALA 33 - HG LEU 43 20.000% * 0.0540% (0.38 1.0 1.00 0.02 0.02) = 0.054% Peak 4155 (8.99, 1.76, 31.52 ppm): 2 chemical-shift based assignments, quality = 0.1, support = 4.34, residual support = 23.4: * HN ILE 19 - HB3 GLU- 18 50.000% * 92.8835% (0.10 4.60 25.23) = 92.883% kept HN MET 97 - HB3 GLU- 18 50.000% * 7.1165% (0.04 0.90 0.02) = 7.117% kept Peak 4156 (1.40, 1.40, 25.25 ppm): 14 chemical-shift based assignments, quality = 0.0183, support = 0.957, residual support = 1.64: O HD3 LYS+ 113 - HG3 LYS+ 113 7.143% * 84.1435% (0.02 10.0 1.00 1.85) = 84.144% kept HG3 LYS+ 55 - HG3 LYS+ 113 7.143% * 9.2526% (0.02 1.0 1.25 0.89) = 9.253% kept QB ALA 93 - HG3 LYS+ 113 7.143% * 0.9419% (0.11 1.0 0.02 0.02) = 0.942% HG13 ILE 100 - HG3 LYS+ 113 7.143% * 0.9419% (0.11 1.0 0.02 0.02) = 0.942% HG LEU 67 - HG3 LYS+ 113 7.143% * 0.9274% (0.11 1.0 0.02 0.02) = 0.927% HD3 LYS+ 20 - HG3 LYS+ 113 7.143% * 0.8870% (0.10 1.0 0.02 0.02) = 0.887% QB ALA 37 - HG3 LYS+ 113 7.143% * 0.8026% (0.09 1.0 0.02 0.02) = 0.803% HG13 ILE 68 - HG3 LYS+ 113 7.143% * 0.5056% (0.06 1.0 0.02 0.02) = 0.506% HD3 LYS+ 44 - HG3 LYS+ 113 7.143% * 0.3950% (0.05 1.0 0.02 0.02) = 0.395% QG2 THR 39 - HG3 LYS+ 113 7.143% * 0.3278% (0.04 1.0 0.02 0.02) = 0.328% QB ALA 91 - HG3 LYS+ 113 7.143% * 0.2966% (0.03 1.0 0.02 0.02) = 0.297% QG2 THR 38 - HG3 LYS+ 113 7.143% * 0.2396% (0.03 1.0 0.02 0.02) = 0.240% HG2 LYS+ 78 - HG3 LYS+ 113 7.143% * 0.1902% (0.02 1.0 0.02 0.02) = 0.190% HG3 ARG+ 22 - HG3 LYS+ 113 7.143% * 0.1483% (0.02 1.0 0.02 0.02) = 0.148% Reference assignment not found: HG3 LYS+ 55 - HG3 LYS+ 55 Not enough quality. Peak unassigned. Peak 4159 (4.25, 1.98, 30.81 ppm): 105 chemical-shift based assignments, quality = 0.517, support = 3.25, residual support = 25.3: * O HA GLU- 56 - HB3 GLU- 56 0.952% * 72.2365% (0.66 10.0 3.65 29.00) = 72.237% kept O HA GLU- 75 - HB2 GLU- 75 0.952% * 16.2685% (0.15 10.0 2.81 24.21) = 16.269% kept O HA GLU- 109 - HB3 GLU- 109 0.952% * 4.5155% (0.05 10.0 1.55 6.66) = 4.515% kept HA VAL 94 - HB3 GLU- 56 0.952% * 2.9783% (0.39 1.0 1.38 1.53) = 2.978% kept HA LYS+ 108 - HB3 GLU- 109 0.952% * 2.0622% (0.17 1.0 2.18 4.63) = 2.062% kept HA ASN 119 - HB3 GLU- 56 0.952% * 0.1052% (0.96 1.0 0.02 0.02) = 0.105% HA GLU- 107 - HB3 GLU- 56 0.952% * 0.1052% (0.96 1.0 0.02 0.02) = 0.105% HA ASN 76 - HB3 GLU- 56 0.952% * 0.1049% (0.96 1.0 0.02 0.02) = 0.105% HA ALA 11 - HB3 GLU- 56 0.952% * 0.1031% (0.94 1.0 0.02 0.02) = 0.103% HA GLU- 75 - HB3 GLU- 56 0.952% * 0.0912% (0.83 1.0 0.02 0.02) = 0.091% HA PRO 59 - HB3 GLU- 56 0.952% * 0.0878% (0.80 1.0 0.02 0.02) = 0.088% HA GLU- 64 - HB3 GLU- 56 0.952% * 0.0878% (0.80 1.0 0.02 0.02) = 0.088% HA GLU- 10 - HB3 GLU- 56 0.952% * 0.0595% (0.54 1.0 0.02 0.02) = 0.060% HA LYS+ 108 - HB3 GLU- 56 0.952% * 0.0595% (0.54 1.0 0.02 0.02) = 0.060% HA GLU- 54 - HB3 GLU- 56 0.952% * 0.0595% (0.54 1.0 0.02 0.10) = 0.060% HA SER 85 - HB3 GLU- 56 0.952% * 0.0471% (0.43 1.0 0.02 0.02) = 0.047% HA ARG+ 84 - HB3 GLU- 56 0.952% * 0.0471% (0.43 1.0 0.02 0.02) = 0.047% HA PRO 52 - HB3 GLU- 56 0.952% * 0.0471% (0.43 1.0 0.02 0.02) = 0.047% HA ALA 42 - HB3 GLU- 56 0.952% * 0.0395% (0.36 1.0 0.02 0.02) = 0.039% HA GLU- 107 - HB3 GLU- 109 0.952% * 0.0334% (0.30 1.0 0.02 0.02) = 0.033% HA ASN 119 - HB3 GLU- 109 0.952% * 0.0334% (0.30 1.0 0.02 0.02) = 0.033% HA ASN 76 - HB3 GLU- 109 0.952% * 0.0333% (0.30 1.0 0.02 0.02) = 0.033% HA ALA 11 - HB3 GLU- 109 0.952% * 0.0327% (0.30 1.0 0.02 0.02) = 0.033% HA SER 49 - HB3 GLU- 56 0.952% * 0.0325% (0.30 1.0 0.02 0.02) = 0.032% HB3 SER 49 - HB3 GLU- 56 0.952% * 0.0306% (0.28 1.0 0.02 0.02) = 0.031% HA GLU- 75 - HB3 GLU- 109 0.952% * 0.0290% (0.26 1.0 0.02 0.02) = 0.029% HA PRO 59 - HB3 GLU- 109 0.952% * 0.0279% (0.25 1.0 0.02 0.02) = 0.028% HA GLU- 64 - HB3 GLU- 109 0.952% * 0.0279% (0.25 1.0 0.02 0.02) = 0.028% HA VAL 122 - HB3 GLU- 56 0.952% * 0.0262% (0.24 1.0 0.02 0.02) = 0.026% HA GLU- 56 - HB3 GLU- 109 0.952% * 0.0229% (0.21 1.0 0.02 0.02) = 0.023% HA LEU 90 - HB3 GLU- 56 0.952% * 0.0208% (0.19 1.0 0.02 0.02) = 0.021% HA GLU- 54 - HB3 GLU- 109 0.952% * 0.0189% (0.17 1.0 0.02 0.02) = 0.019% HA GLU- 10 - HB3 GLU- 109 0.952% * 0.0189% (0.17 1.0 0.02 0.02) = 0.019% HA ASN 119 - HB2 GLU- 75 0.952% * 0.0188% (0.17 1.0 0.02 0.02) = 0.019% HA GLU- 107 - HB2 GLU- 75 0.952% * 0.0188% (0.17 1.0 0.02 0.02) = 0.019% HA ASN 76 - HB2 GLU- 75 0.952% * 0.0187% (0.17 1.0 0.02 0.02) = 0.019% HA GLU- 109 - HB3 GLU- 56 0.952% * 0.0184% (0.17 1.0 0.02 0.02) = 0.018% HA ALA 11 - HB2 GLU- 75 0.952% * 0.0184% (0.17 1.0 0.02 0.02) = 0.018% HA PRO 59 - HB2 GLU- 75 0.952% * 0.0157% (0.14 1.0 0.02 0.22) = 0.016% HA GLU- 64 - HB2 GLU- 75 0.952% * 0.0157% (0.14 1.0 0.02 0.02) = 0.016% HA SER 85 - HB3 GLU- 109 0.952% * 0.0150% (0.14 1.0 0.02 0.02) = 0.015% HA ARG+ 84 - HB3 GLU- 109 0.952% * 0.0150% (0.14 1.0 0.02 0.02) = 0.015% HA PRO 52 - HB3 GLU- 109 0.952% * 0.0150% (0.14 1.0 0.02 0.02) = 0.015% HA VAL 94 - HB3 GLU- 109 0.952% * 0.0137% (0.12 1.0 0.02 0.02) = 0.014% HA GLU- 56 - HB2 GLU- 75 0.952% * 0.0129% (0.12 1.0 0.02 0.02) = 0.013% HA ALA 42 - HB3 GLU- 109 0.952% * 0.0125% (0.11 1.0 0.02 0.02) = 0.013% HA GLU- 10 - HB2 GLU- 75 0.952% * 0.0106% (0.10 1.0 0.02 0.02) = 0.011% HA LYS+ 108 - HB2 GLU- 75 0.952% * 0.0106% (0.10 1.0 0.02 0.02) = 0.011% HA GLU- 54 - HB2 GLU- 75 0.952% * 0.0106% (0.10 1.0 0.02 0.02) = 0.011% HA SER 49 - HB3 GLU- 109 0.952% * 0.0103% (0.09 1.0 0.02 0.02) = 0.010% HB3 SER 49 - HB3 GLU- 109 0.952% * 0.0097% (0.09 1.0 0.02 0.02) = 0.010% HA ASN 119 - HB2 HIS+ 14 0.952% * 0.0096% (0.09 1.0 0.02 0.02) = 0.010% HA GLU- 107 - HB2 HIS+ 14 0.952% * 0.0096% (0.09 1.0 0.02 0.02) = 0.010% HA ASN 76 - HB2 HIS+ 14 0.952% * 0.0095% (0.09 1.0 0.02 0.02) = 0.010% HA ALA 11 - HB2 HIS+ 14 0.952% * 0.0094% (0.09 1.0 0.02 0.02) = 0.009% HA ARG+ 84 - HB2 GLU- 75 0.952% * 0.0084% (0.08 1.0 0.02 0.02) = 0.008% HA PRO 52 - HB2 GLU- 75 0.952% * 0.0084% (0.08 1.0 0.02 0.02) = 0.008% HA SER 85 - HB2 GLU- 75 0.952% * 0.0084% (0.08 1.0 0.02 0.02) = 0.008% HA VAL 122 - HB3 GLU- 109 0.952% * 0.0083% (0.08 1.0 0.02 0.02) = 0.008% HA GLU- 75 - HB2 HIS+ 14 0.952% * 0.0083% (0.08 1.0 0.02 0.13) = 0.008% HA PRO 59 - HB2 HIS+ 14 0.952% * 0.0080% (0.07 1.0 0.02 0.02) = 0.008% HA GLU- 64 - HB2 HIS+ 14 0.952% * 0.0080% (0.07 1.0 0.02 0.02) = 0.008% HA VAL 94 - HB2 GLU- 75 0.952% * 0.0077% (0.07 1.0 0.02 0.02) = 0.008% HA ALA 42 - HB2 GLU- 75 0.952% * 0.0070% (0.06 1.0 0.02 0.02) = 0.007% HA LEU 90 - HB3 GLU- 109 0.952% * 0.0066% (0.06 1.0 0.02 0.02) = 0.007% HA GLU- 56 - HB2 HIS+ 14 0.952% * 0.0066% (0.06 1.0 0.02 0.02) = 0.007% HA SER 49 - HB2 GLU- 75 0.952% * 0.0058% (0.05 1.0 0.02 0.02) = 0.006% HB3 SER 49 - HB2 GLU- 75 0.952% * 0.0055% (0.05 1.0 0.02 0.02) = 0.005% HA LYS+ 108 - HB2 HIS+ 14 0.952% * 0.0054% (0.05 1.0 0.02 0.02) = 0.005% HA GLU- 54 - HB2 HIS+ 14 0.952% * 0.0054% (0.05 1.0 0.02 0.02) = 0.005% HA GLU- 10 - HB2 HIS+ 14 0.952% * 0.0054% (0.05 1.0 0.02 0.02) = 0.005% HA VAL 122 - HB2 GLU- 75 0.952% * 0.0047% (0.04 1.0 0.02 0.02) = 0.005% HA SER 85 - HB2 HIS+ 14 0.952% * 0.0043% (0.04 1.0 0.02 0.02) = 0.004% HA PRO 52 - HB2 HIS+ 14 0.952% * 0.0043% (0.04 1.0 0.02 0.02) = 0.004% HA ARG+ 84 - HB2 HIS+ 14 0.952% * 0.0043% (0.04 1.0 0.02 0.02) = 0.004% HA GLU- 107 - HB2 GLU- 18 0.952% * 0.0041% (0.04 1.0 0.02 0.02) = 0.004% HA ASN 119 - HB2 GLU- 18 0.952% * 0.0041% (0.04 1.0 0.02 0.02) = 0.004% HA ASN 76 - HB2 GLU- 18 0.952% * 0.0041% (0.04 1.0 0.02 0.02) = 0.004% HA ALA 11 - HB2 GLU- 18 0.952% * 0.0041% (0.04 1.0 0.02 0.02) = 0.004% HA VAL 94 - HB2 HIS+ 14 0.952% * 0.0039% (0.04 1.0 0.02 0.02) = 0.004% HA LEU 90 - HB2 GLU- 75 0.952% * 0.0037% (0.03 1.0 0.02 0.39) = 0.004% HA GLU- 75 - HB2 GLU- 18 0.952% * 0.0036% (0.03 1.0 0.02 0.02) = 0.004% HA ALA 42 - HB2 HIS+ 14 0.952% * 0.0036% (0.03 1.0 0.02 0.02) = 0.004% HA PRO 59 - HB2 GLU- 18 0.952% * 0.0035% (0.03 1.0 0.02 0.02) = 0.003% HA GLU- 64 - HB2 GLU- 18 0.952% * 0.0035% (0.03 1.0 0.02 0.02) = 0.003% HA GLU- 109 - HB2 GLU- 75 0.952% * 0.0033% (0.03 1.0 0.02 0.02) = 0.003% HA SER 49 - HB2 HIS+ 14 0.952% * 0.0030% (0.03 1.0 0.02 0.02) = 0.003% HA GLU- 56 - HB2 GLU- 18 0.952% * 0.0028% (0.03 1.0 0.02 0.02) = 0.003% HB3 SER 49 - HB2 HIS+ 14 0.952% * 0.0028% (0.03 1.0 0.02 0.02) = 0.003% HA VAL 122 - HB2 HIS+ 14 0.952% * 0.0024% (0.02 1.0 0.02 0.02) = 0.002% HA GLU- 54 - HB2 GLU- 18 0.952% * 0.0023% (0.02 1.0 0.02 0.02) = 0.002% HA GLU- 10 - HB2 GLU- 18 0.952% * 0.0023% (0.02 1.0 0.02 0.02) = 0.002% HA LYS+ 108 - HB2 GLU- 18 0.952% * 0.0023% (0.02 1.0 0.02 0.02) = 0.002% HA LEU 90 - HB2 HIS+ 14 0.952% * 0.0019% (0.02 1.0 0.02 0.02) = 0.002% HA SER 85 - HB2 GLU- 18 0.952% * 0.0019% (0.02 1.0 0.02 2.22) = 0.002% HA ARG+ 84 - HB2 GLU- 18 0.952% * 0.0019% (0.02 1.0 0.02 3.05) = 0.002% HA PRO 52 - HB2 GLU- 18 0.952% * 0.0019% (0.02 1.0 0.02 0.02) = 0.002% HA VAL 94 - HB2 GLU- 18 0.952% * 0.0017% (0.02 1.0 0.02 3.64) = 0.002% HA GLU- 109 - HB2 HIS+ 14 0.952% * 0.0017% (0.02 1.0 0.02 0.02) = 0.002% HA ALA 42 - HB2 GLU- 18 0.952% * 0.0016% (0.01 1.0 0.02 0.02) = 0.002% HA SER 49 - HB2 GLU- 18 0.952% * 0.0013% (0.01 1.0 0.02 0.02) = 0.001% HB3 SER 49 - HB2 GLU- 18 0.952% * 0.0012% (0.01 1.0 0.02 0.02) = 0.001% HA VAL 122 - HB2 GLU- 18 0.952% * 0.0010% (0.01 1.0 0.02 0.02) = 0.001% HA LEU 90 - HB2 GLU- 18 0.952% * 0.0008% (0.01 1.0 0.02 0.02) = 0.001% HA GLU- 109 - HB2 GLU- 18 0.952% * 0.0007% (0.01 1.0 0.02 0.02) = 0.001% Peak 4160 (2.12, 2.11, 30.73 ppm): 2 diagonal assignments: * HB2 GLU- 56 - HB2 GLU- 56 (0.78) kept HB3 GLU- 75 - HB3 GLU- 75 (0.58) kept Peak 4161 (1.97, 1.98, 30.81 ppm): 2 diagonal assignments: * HB3 GLU- 56 - HB3 GLU- 56 (0.95) kept HB3 GLU- 109 - HB3 GLU- 109 (0.20) kept Peak 4162 (8.78, 4.27, 57.06 ppm): 36 chemical-shift based assignments, quality = 0.762, support = 1.15, residual support = 1.53: HN THR 95 - HA GLU- 56 2.778% * 32.8497% (1.00 1.49 2.82) = 32.850% kept HN SER 69 - HA GLU- 56 2.778% * 23.5914% (0.94 1.13 0.92) = 23.591% kept HN SER 69 - HA GLU- 75 2.778% * 14.4028% (0.87 0.75 0.43) = 14.403% kept HN PHE 34 - HA GLU- 56 2.778% * 12.1681% (0.45 1.23 0.96) = 12.168% kept HN VAL 62 - HA GLU- 56 2.778% * 6.2654% (0.28 1.02 0.02) = 6.265% kept HN VAL 62 - HA GLU- 64 2.778% * 6.0463% (0.24 1.13 3.47) = 6.046% kept HN PHE 34 - HA ARG+ 84 2.778% * 0.7770% (0.14 0.26 2.40) = 0.777% HN THR 95 - HA GLU- 75 2.778% * 0.4062% (0.92 0.02 0.02) = 0.406% HN THR 95 - HA SER 85 2.778% * 0.3914% (0.89 0.02 0.02) = 0.391% HN THR 95 - HA GLU- 64 2.778% * 0.3850% (0.87 0.02 0.02) = 0.385% HN SER 69 - HA SER 85 2.778% * 0.3703% (0.84 0.02 0.02) = 0.370% HN SER 69 - HA GLU- 64 2.778% * 0.3642% (0.82 0.02 0.02) = 0.364% HN PHE 34 - HA GLU- 75 2.778% * 0.1821% (0.41 0.02 0.02) = 0.182% HN PHE 34 - HA SER 85 2.778% * 0.1755% (0.40 0.02 0.02) = 0.175% HN PHE 34 - HA GLU- 64 2.778% * 0.1726% (0.39 0.02 0.02) = 0.173% HN THR 95 - HA GLU- 107 2.778% * 0.1566% (0.35 0.02 0.02) = 0.157% HN SER 69 - HA GLU- 107 2.778% * 0.1482% (0.34 0.02 0.02) = 0.148% HN THR 95 - HA ARG+ 84 2.778% * 0.1351% (0.31 0.02 0.02) = 0.135% HN SER 69 - HA ARG+ 84 2.778% * 0.1278% (0.29 0.02 3.49) = 0.128% HN VAL 62 - HA GLU- 75 2.778% * 0.1129% (0.26 0.02 0.02) = 0.113% HN VAL 62 - HA SER 85 2.778% * 0.1088% (0.25 0.02 0.02) = 0.109% HN THR 95 - HA LYS+ 108 2.778% * 0.0783% (0.18 0.02 0.02) = 0.078% HN THR 95 - HA GLU- 10 2.778% * 0.0761% (0.17 0.02 0.02) = 0.076% HN SER 69 - HA LYS+ 108 2.778% * 0.0741% (0.17 0.02 0.02) = 0.074% HN SER 69 - HA GLU- 10 2.778% * 0.0719% (0.16 0.02 0.02) = 0.072% HN PHE 34 - HA GLU- 107 2.778% * 0.0702% (0.16 0.02 0.02) = 0.070% HN VAL 62 - HA GLU- 107 2.778% * 0.0436% (0.10 0.02 0.02) = 0.044% HN VAL 62 - HA ARG+ 84 2.778% * 0.0376% (0.09 0.02 0.02) = 0.038% HN THR 95 - HA ASP- 36 2.778% * 0.0370% (0.08 0.02 0.02) = 0.037% HN PHE 34 - HA LYS+ 108 2.778% * 0.0351% (0.08 0.02 0.02) = 0.035% HN SER 69 - HA ASP- 36 2.778% * 0.0350% (0.08 0.02 0.02) = 0.035% HN PHE 34 - HA GLU- 10 2.778% * 0.0341% (0.08 0.02 0.02) = 0.034% HN VAL 62 - HA LYS+ 108 2.778% * 0.0218% (0.05 0.02 0.02) = 0.022% HN VAL 62 - HA GLU- 10 2.778% * 0.0211% (0.05 0.02 0.02) = 0.021% HN PHE 34 - HA ASP- 36 2.778% * 0.0166% (0.04 0.02 0.02) = 0.017% HN VAL 62 - HA ASP- 36 2.778% * 0.0103% (0.02 0.02 0.02) = 0.010% Reference assignment not found: HN GLU- 56 - HA GLU- 56 Peak 4163 (4.27, 4.27, 57.06 ppm): 9 diagonal assignments: * HA GLU- 56 - HA GLU- 56 (0.99) kept HA GLU- 75 - HA GLU- 75 (0.85) kept HA SER 85 - HA SER 85 (0.84) kept HA GLU- 64 - HA GLU- 64 (0.82) kept HA ARG+ 84 - HA ARG+ 84 (0.29) kept HA GLU- 107 - HA GLU- 107 (0.23) kept HA LYS+ 108 - HA LYS+ 108 (0.02) kept HA GLU- 10 - HA GLU- 10 (0.02) kept HA ASP- 36 - HA ASP- 36 (0.01) kept Peak 4164 (2.13, 4.27, 57.06 ppm): 99 chemical-shift based assignments, quality = 0.722, support = 2.77, residual support = 20.9: O T HB3 GLU- 75 - HA GLU- 75 1.010% * 39.7086% (0.78 10.0 10.00 2.97 24.21) = 39.709% kept * O T HB2 GLU- 56 - HA GLU- 56 1.010% * 38.8076% (0.76 10.0 10.00 3.87 29.00) = 38.808% kept T HB3 GLU- 75 - HA GLU- 56 1.010% * 10.5255% (0.85 1.0 10.00 0.49 0.02) = 10.526% kept HG2 PRO 112 - HA GLU- 56 1.010% * 3.0520% (0.89 1.0 1.00 1.34 0.14) = 3.052% kept HB VAL 65 - HA GLU- 64 1.010% * 0.9821% (0.13 1.0 1.00 2.87 26.51) = 0.982% T HB3 GLU- 75 - HA GLU- 10 1.010% * 0.9143% (0.15 1.0 10.00 0.25 0.02) = 0.914% HG2 PRO 112 - HA GLU- 64 1.010% * 0.8541% (0.78 1.0 1.00 0.43 0.02) = 0.854% T HB3 GLU- 75 - HA SER 85 1.010% * 0.3827% (0.75 1.0 10.00 0.02 0.02) = 0.383% T HB3 GLU- 75 - HA GLU- 64 1.010% * 0.3764% (0.74 1.0 10.00 0.02 0.02) = 0.376% T HB2 GLU- 56 - HA GLU- 75 1.010% * 0.3578% (0.70 1.0 10.00 0.02 0.02) = 0.358% T HB2 GLU- 56 - HA SER 85 1.010% * 0.3448% (0.68 1.0 10.00 0.02 0.02) = 0.345% T HB2 GLU- 56 - HA GLU- 64 1.010% * 0.3391% (0.67 1.0 10.00 0.02 0.02) = 0.339% HG2 PRO 112 - HA ASP- 36 1.010% * 0.2116% (0.08 1.0 1.00 1.11 1.46) = 0.212% T HG2 GLU- 45 - HA GLU- 107 1.010% * 0.1806% (0.35 1.0 10.00 0.02 0.02) = 0.181% T HB3 GLU- 75 - HA GLU- 107 1.010% * 0.1531% (0.30 1.0 10.00 0.02 0.02) = 0.153% T HB VAL 47 - HA GLU- 56 1.010% * 0.1412% (0.28 1.0 10.00 0.02 0.02) = 0.141% T HB2 GLU- 56 - HA GLU- 107 1.010% * 0.1380% (0.27 1.0 10.00 0.02 0.02) = 0.138% T HB3 GLU- 75 - HA ARG+ 84 1.010% * 0.1320% (0.26 1.0 10.00 0.02 0.02) = 0.132% T HB VAL 47 - HA GLU- 75 1.010% * 0.1302% (0.26 1.0 10.00 0.02 0.02) = 0.130% T HB VAL 47 - HA SER 85 1.010% * 0.1254% (0.25 1.0 10.00 0.02 0.02) = 0.125% T HB VAL 47 - HA GLU- 64 1.010% * 0.1234% (0.24 1.0 10.00 0.02 0.02) = 0.123% T HB2 GLU- 56 - HA ARG+ 84 1.010% * 0.1190% (0.23 1.0 10.00 0.02 0.02) = 0.119% HG2 PRO 112 - HA GLU- 10 1.010% * 0.0935% (0.15 1.0 1.00 0.24 0.02) = 0.094% T HG2 GLU- 45 - HA LYS+ 108 1.010% * 0.0903% (0.18 1.0 10.00 0.02 0.60) = 0.090% T HG2 GLU- 45 - HA GLU- 10 1.010% * 0.0877% (0.17 1.0 10.00 0.02 0.85) = 0.088% T HB3 GLU- 75 - HA LYS+ 108 1.010% * 0.0766% (0.15 1.0 10.00 0.02 0.02) = 0.077% T HB2 GLU- 56 - HA LYS+ 108 1.010% * 0.0690% (0.14 1.0 10.00 0.02 0.02) = 0.069% T HB2 GLU- 56 - HA GLU- 10 1.010% * 0.0670% (0.13 1.0 10.00 0.02 0.02) = 0.067% HG2 GLU- 45 - HA GLU- 56 1.010% * 0.0508% (1.00 1.0 1.00 0.02 0.02) = 0.051% T HB VAL 47 - HA GLU- 107 1.010% * 0.0502% (0.10 1.0 10.00 0.02 0.02) = 0.050% HB VAL 105 - HA GLU- 56 1.010% * 0.0480% (0.94 1.0 1.00 0.02 0.02) = 0.048% HG2 GLU- 45 - HA GLU- 75 1.010% * 0.0468% (0.92 1.0 1.00 0.02 0.11) = 0.047% HG2 GLU- 45 - HA SER 85 1.010% * 0.0451% (0.89 1.0 1.00 0.02 0.02) = 0.045% HG2 GLU- 45 - HA GLU- 64 1.010% * 0.0444% (0.87 1.0 1.00 0.02 0.02) = 0.044% HB VAL 105 - HA GLU- 75 1.010% * 0.0443% (0.87 1.0 1.00 0.02 0.02) = 0.044% HB2 ASP- 28 - HA GLU- 56 1.010% * 0.0440% (0.86 1.0 1.00 0.02 0.02) = 0.044% T HB VAL 47 - HA ARG+ 84 1.010% * 0.0433% (0.09 1.0 10.00 0.02 0.02) = 0.043% HB VAL 105 - HA SER 85 1.010% * 0.0427% (0.84 1.0 1.00 0.02 0.02) = 0.043% HB VAL 105 - HA GLU- 64 1.010% * 0.0420% (0.82 1.0 1.00 0.02 0.02) = 0.042% HG2 PRO 112 - HA GLU- 75 1.010% * 0.0420% (0.82 1.0 1.00 0.02 0.30) = 0.042% HB2 ASP- 28 - HA GLU- 75 1.010% * 0.0406% (0.80 1.0 1.00 0.02 0.02) = 0.041% HG2 PRO 112 - HA SER 85 1.010% * 0.0404% (0.79 1.0 1.00 0.02 0.02) = 0.040% HB2 ASP- 28 - HA SER 85 1.010% * 0.0391% (0.77 1.0 1.00 0.02 0.02) = 0.039% HB2 ASP- 28 - HA GLU- 64 1.010% * 0.0385% (0.76 1.0 1.00 0.02 0.02) = 0.038% HB VAL 87 - HA GLU- 56 1.010% * 0.0369% (0.72 1.0 1.00 0.02 0.02) = 0.037% T HB3 GLU- 75 - HA ASP- 36 1.010% * 0.0362% (0.07 1.0 10.00 0.02 0.02) = 0.036% HB VAL 87 - HA GLU- 75 1.010% * 0.0340% (0.67 1.0 1.00 0.02 0.02) = 0.034% HB VAL 87 - HA SER 85 1.010% * 0.0328% (0.64 1.0 1.00 0.02 0.12) = 0.033% T HB2 GLU- 56 - HA ASP- 36 1.010% * 0.0326% (0.06 1.0 10.00 0.02 0.02) = 0.033% HB VAL 87 - HA GLU- 64 1.010% * 0.0322% (0.63 1.0 1.00 0.02 0.02) = 0.032% T HB VAL 47 - HA LYS+ 108 1.010% * 0.0251% (0.05 1.0 10.00 0.02 0.02) = 0.025% HB3 LEU 43 - HA GLU- 56 1.010% * 0.0247% (0.49 1.0 1.00 0.02 0.02) = 0.025% T HB VAL 47 - HA GLU- 10 1.010% * 0.0244% (0.05 1.0 10.00 0.02 0.02) = 0.024% HB3 LEU 43 - HA GLU- 75 1.010% * 0.0228% (0.45 1.0 1.00 0.02 0.02) = 0.023% HB3 LEU 43 - HA SER 85 1.010% * 0.0220% (0.43 1.0 1.00 0.02 0.02) = 0.022% HB3 LEU 43 - HA GLU- 64 1.010% * 0.0216% (0.42 1.0 1.00 0.02 0.02) = 0.022% HB3 LYS+ 78 - HA GLU- 56 1.010% * 0.0209% (0.41 1.0 1.00 0.02 0.02) = 0.021% HB3 LYS+ 78 - HA GLU- 75 1.010% * 0.0192% (0.38 1.0 1.00 0.02 0.02) = 0.019% HB3 LYS+ 78 - HA SER 85 1.010% * 0.0185% (0.36 1.0 1.00 0.02 0.02) = 0.019% HB3 LYS+ 78 - HA GLU- 64 1.010% * 0.0182% (0.36 1.0 1.00 0.02 0.02) = 0.018% HB VAL 105 - HA GLU- 107 1.010% * 0.0171% (0.34 1.0 1.00 0.02 0.11) = 0.017% HG2 PRO 112 - HA GLU- 107 1.010% * 0.0162% (0.32 1.0 1.00 0.02 0.02) = 0.016% HB2 ASP- 28 - HA GLU- 107 1.010% * 0.0157% (0.31 1.0 1.00 0.02 0.02) = 0.016% HG2 GLU- 45 - HA ARG+ 84 1.010% * 0.0156% (0.31 1.0 1.00 0.02 0.02) = 0.016% HB VAL 105 - HA ARG+ 84 1.010% * 0.0147% (0.29 1.0 1.00 0.02 0.02) = 0.015% HG2 PRO 112 - HA ARG+ 84 1.010% * 0.0140% (0.27 1.0 1.00 0.02 0.02) = 0.014% HB2 ASP- 28 - HA ARG+ 84 1.010% * 0.0135% (0.27 1.0 1.00 0.02 0.02) = 0.014% HB VAL 87 - HA GLU- 107 1.010% * 0.0131% (0.26 1.0 1.00 0.02 0.02) = 0.013% T HB VAL 47 - HA ASP- 36 1.010% * 0.0119% (0.02 1.0 10.00 0.02 0.02) = 0.012% HB VAL 87 - HA ARG+ 84 1.010% * 0.0113% (0.22 1.0 1.00 0.02 0.02) = 0.011% HB3 LEU 43 - HA GLU- 107 1.010% * 0.0088% (0.17 1.0 1.00 0.02 0.02) = 0.009% HB VAL 105 - HA LYS+ 108 1.010% * 0.0085% (0.17 1.0 1.00 0.02 0.02) = 0.009% HB VAL 105 - HA GLU- 10 1.010% * 0.0083% (0.16 1.0 1.00 0.02 0.02) = 0.008% HG2 PRO 112 - HA LYS+ 108 1.010% * 0.0081% (0.16 1.0 1.00 0.02 0.02) = 0.008% HB VAL 65 - HA GLU- 56 1.010% * 0.0078% (0.15 1.0 1.00 0.02 0.02) = 0.008% HB2 ASP- 28 - HA LYS+ 108 1.010% * 0.0078% (0.15 1.0 1.00 0.02 0.02) = 0.008% HB2 ASP- 28 - HA GLU- 10 1.010% * 0.0076% (0.15 1.0 1.00 0.02 0.02) = 0.008% HB3 LEU 43 - HA ARG+ 84 1.010% * 0.0076% (0.15 1.0 1.00 0.02 0.02) = 0.008% HB3 LYS+ 78 - HA GLU- 107 1.010% * 0.0074% (0.15 1.0 1.00 0.02 0.02) = 0.007% HB VAL 65 - HA GLU- 75 1.010% * 0.0072% (0.14 1.0 1.00 0.02 0.02) = 0.007% HB VAL 65 - HA SER 85 1.010% * 0.0070% (0.14 1.0 1.00 0.02 0.02) = 0.007% HB VAL 87 - HA LYS+ 108 1.010% * 0.0066% (0.13 1.0 1.00 0.02 0.02) = 0.007% HB3 LYS+ 78 - HA ARG+ 84 1.010% * 0.0064% (0.13 1.0 1.00 0.02 0.02) = 0.006% HB VAL 87 - HA GLU- 10 1.010% * 0.0064% (0.13 1.0 1.00 0.02 0.02) = 0.006% HB3 LEU 43 - HA LYS+ 108 1.010% * 0.0044% (0.09 1.0 1.00 0.02 0.02) = 0.004% HB3 LEU 43 - HA GLU- 10 1.010% * 0.0043% (0.08 1.0 1.00 0.02 0.02) = 0.004% HG2 GLU- 45 - HA ASP- 36 1.010% * 0.0043% (0.08 1.0 1.00 0.02 0.02) = 0.004% HB VAL 105 - HA ASP- 36 1.010% * 0.0040% (0.08 1.0 1.00 0.02 0.02) = 0.004% HB3 LYS+ 78 - HA LYS+ 108 1.010% * 0.0037% (0.07 1.0 1.00 0.02 0.02) = 0.004% HB2 ASP- 28 - HA ASP- 36 1.010% * 0.0037% (0.07 1.0 1.00 0.02 0.02) = 0.004% HB3 LYS+ 78 - HA GLU- 10 1.010% * 0.0036% (0.07 1.0 1.00 0.02 0.02) = 0.004% HB VAL 87 - HA ASP- 36 1.010% * 0.0031% (0.06 1.0 1.00 0.02 0.02) = 0.003% HB VAL 65 - HA GLU- 107 1.010% * 0.0028% (0.05 1.0 1.00 0.02 0.02) = 0.003% HB VAL 65 - HA ARG+ 84 1.010% * 0.0024% (0.05 1.0 1.00 0.02 0.02) = 0.002% HB3 LEU 43 - HA ASP- 36 1.010% * 0.0021% (0.04 1.0 1.00 0.02 0.02) = 0.002% HB3 LYS+ 78 - HA ASP- 36 1.010% * 0.0018% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB VAL 65 - HA LYS+ 108 1.010% * 0.0014% (0.03 1.0 1.00 0.02 0.02) = 0.001% HB VAL 65 - HA GLU- 10 1.010% * 0.0014% (0.03 1.0 1.00 0.02 0.02) = 0.001% HB VAL 65 - HA ASP- 36 1.010% * 0.0007% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 4165 (1.98, 4.27, 57.06 ppm): 126 chemical-shift based assignments, quality = 0.532, support = 2.7, residual support = 17.7: * O T HB3 GLU- 56 - HA GLU- 56 0.794% * 45.1969% (0.83 10.0 10.00 3.65 29.00) = 45.197% kept T HB2 LYS+ 108 - HA GLU- 107 0.794% * 18.6425% (0.35 1.0 10.00 1.94 5.96) = 18.642% kept O T HB2 LYS+ 108 - HA LYS+ 108 0.794% * 9.5999% (0.18 10.0 10.00 2.39 13.55) = 9.600% kept O T HB3 GLU- 75 - HA GLU- 75 0.794% * 8.0037% (0.15 10.0 10.00 2.97 24.21) = 8.004% kept HB2 PRO 86 - HA SER 85 0.794% * 5.5729% (0.86 1.0 1.00 2.40 2.67) = 5.573% kept T HB3 GLU- 109 - HA LYS+ 108 0.794% * 2.3991% (0.04 1.0 10.00 2.18 4.63) = 2.399% kept T HB3 GLU- 75 - HA GLU- 56 0.794% * 2.1215% (0.16 1.0 10.00 0.49 0.02) = 2.122% kept HG2 PRO 112 - HA GLU- 56 0.794% * 1.7955% (0.49 1.0 1.00 1.34 0.14) = 1.796% kept T HB3 GLU- 109 - HA GLU- 107 0.794% * 0.5689% (0.09 1.0 10.00 0.24 0.02) = 0.569% HG2 PRO 112 - HA GLU- 64 0.794% * 0.5025% (0.43 1.0 1.00 0.43 0.02) = 0.502% T HB3 GLU- 56 - HA GLU- 75 0.794% * 0.4167% (0.77 1.0 10.00 0.02 0.02) = 0.417% T HB3 GLU- 56 - HA SER 85 0.794% * 0.4016% (0.74 1.0 10.00 0.02 0.02) = 0.402% T HB3 GLU- 56 - HA GLU- 64 0.794% * 0.3950% (0.73 1.0 10.00 0.02 0.02) = 0.395% T HB2 HIS+ 14 - HA GLU- 56 0.794% * 0.1846% (0.34 1.0 10.00 0.02 0.02) = 0.185% T HB3 GLU- 75 - HA GLU- 10 0.794% * 0.1843% (0.03 1.0 10.00 0.25 0.02) = 0.184% T HB2 HIS+ 14 - HA GLU- 75 0.794% * 0.1702% (0.31 1.0 10.00 0.02 0.13) = 0.170% T HB2 HIS+ 14 - HA SER 85 0.794% * 0.1640% (0.30 1.0 10.00 0.02 0.02) = 0.164% T HB2 HIS+ 14 - HA GLU- 64 0.794% * 0.1613% (0.30 1.0 10.00 0.02 0.02) = 0.161% T HB3 GLU- 56 - HA GLU- 107 0.794% * 0.1607% (0.30 1.0 10.00 0.02 0.02) = 0.161% T HB3 GLU- 56 - HA ARG+ 84 0.794% * 0.1386% (0.26 1.0 10.00 0.02 0.02) = 0.139% T HB2 GLU- 18 - HA GLU- 56 0.794% * 0.1349% (0.25 1.0 10.00 0.02 0.02) = 0.135% T HB3 GLU- 109 - HA GLU- 56 0.794% * 0.1349% (0.25 1.0 10.00 0.02 0.02) = 0.135% HG2 PRO 112 - HA ASP- 36 0.794% * 0.1245% (0.04 1.0 1.00 1.11 1.46) = 0.124% T HB3 GLU- 109 - HA GLU- 75 0.794% * 0.1244% (0.23 1.0 10.00 0.02 0.02) = 0.124% T HB2 GLU- 18 - HA GLU- 75 0.794% * 0.1244% (0.23 1.0 10.00 0.02 0.02) = 0.124% T HB3 GLU- 109 - HA SER 85 0.794% * 0.1199% (0.22 1.0 10.00 0.02 0.02) = 0.120% T HB2 GLU- 18 - HA SER 85 0.794% * 0.1199% (0.22 1.0 10.00 0.02 2.22) = 0.120% T HB3 GLU- 109 - HA GLU- 64 0.794% * 0.1179% (0.22 1.0 10.00 0.02 0.02) = 0.118% T HB2 GLU- 18 - HA GLU- 64 0.794% * 0.1179% (0.22 1.0 10.00 0.02 0.02) = 0.118% T HB2 LYS+ 108 - HA GLU- 10 0.794% * 0.0932% (0.17 1.0 10.00 0.02 0.02) = 0.093% T HB3 GLU- 56 - HA LYS+ 108 0.794% * 0.0804% (0.15 1.0 10.00 0.02 0.02) = 0.080% T HB3 GLU- 56 - HA GLU- 10 0.794% * 0.0780% (0.14 1.0 10.00 0.02 0.02) = 0.078% T HB3 GLU- 75 - HA SER 85 0.794% * 0.0771% (0.14 1.0 10.00 0.02 0.02) = 0.077% T HB3 GLU- 75 - HA GLU- 64 0.794% * 0.0759% (0.14 1.0 10.00 0.02 0.02) = 0.076% T HB2 HIS+ 14 - HA GLU- 107 0.794% * 0.0656% (0.12 1.0 10.00 0.02 0.02) = 0.066% T HB2 HIS+ 14 - HA ARG+ 84 0.794% * 0.0566% (0.10 1.0 10.00 0.02 0.02) = 0.057% HG2 PRO 112 - HA GLU- 10 0.794% * 0.0550% (0.09 1.0 1.00 0.24 0.02) = 0.055% HB2 LYS+ 108 - HA GLU- 56 0.794% * 0.0540% (0.99 1.0 1.00 0.02 0.02) = 0.054% HB2 PRO 86 - HA GLU- 56 0.794% * 0.0522% (0.96 1.0 1.00 0.02 0.02) = 0.052% HB2 LYS+ 108 - HA GLU- 75 0.794% * 0.0498% (0.92 1.0 1.00 0.02 0.02) = 0.050% HB2 PRO 86 - HA GLU- 75 0.794% * 0.0481% (0.89 1.0 1.00 0.02 0.02) = 0.048% T HB2 GLU- 18 - HA GLU- 107 0.794% * 0.0480% (0.09 1.0 10.00 0.02 0.02) = 0.048% HB2 LYS+ 108 - HA SER 85 0.794% * 0.0480% (0.88 1.0 1.00 0.02 0.02) = 0.048% HB2 LYS+ 108 - HA GLU- 64 0.794% * 0.0472% (0.87 1.0 1.00 0.02 0.02) = 0.047% HB2 PRO 86 - HA GLU- 64 0.794% * 0.0456% (0.84 1.0 1.00 0.02 0.02) = 0.046% T HB3 GLU- 109 - HA ARG+ 84 0.794% * 0.0414% (0.08 1.0 10.00 0.02 0.02) = 0.041% T HB2 GLU- 18 - HA ARG+ 84 0.794% * 0.0414% (0.08 1.0 10.00 0.02 3.05) = 0.041% HG3 PRO 104 - HA GLU- 56 0.794% * 0.0393% (0.72 1.0 1.00 0.02 0.02) = 0.039% HG3 PRO 104 - HA GLU- 75 0.794% * 0.0362% (0.67 1.0 1.00 0.02 0.02) = 0.036% HB VAL 73 - HA GLU- 56 0.794% * 0.0350% (0.65 1.0 1.00 0.02 0.02) = 0.035% HG3 PRO 104 - HA SER 85 0.794% * 0.0349% (0.64 1.0 1.00 0.02 0.02) = 0.035% HG3 PRO 104 - HA GLU- 64 0.794% * 0.0343% (0.63 1.0 1.00 0.02 0.02) = 0.034% T HB VAL 13 - HA GLU- 107 0.794% * 0.0337% (0.06 1.0 10.00 0.02 0.02) = 0.034% T HB2 HIS+ 14 - HA LYS+ 108 0.794% * 0.0328% (0.06 1.0 10.00 0.02 0.02) = 0.033% HB VAL 73 - HA GLU- 75 0.794% * 0.0323% (0.59 1.0 1.00 0.02 0.02) = 0.032% T HB2 HIS+ 14 - HA GLU- 10 0.794% * 0.0319% (0.06 1.0 10.00 0.02 0.02) = 0.032% HB VAL 73 - HA SER 85 0.794% * 0.0311% (0.57 1.0 1.00 0.02 0.02) = 0.031% T HB3 GLU- 75 - HA GLU- 107 0.794% * 0.0309% (0.06 1.0 10.00 0.02 0.02) = 0.031% HB VAL 73 - HA GLU- 64 0.794% * 0.0306% (0.56 1.0 1.00 0.02 0.02) = 0.031% T HB3 GLU- 75 - HA ARG+ 84 0.794% * 0.0266% (0.05 1.0 10.00 0.02 0.02) = 0.027% HG2 PRO 112 - HA GLU- 75 0.794% * 0.0247% (0.46 1.0 1.00 0.02 0.30) = 0.025% T HB2 GLU- 18 - HA LYS+ 108 0.794% * 0.0240% (0.04 1.0 10.00 0.02 0.02) = 0.024% HG2 PRO 112 - HA SER 85 0.794% * 0.0238% (0.44 1.0 1.00 0.02 0.02) = 0.024% T HB2 GLU- 18 - HA GLU- 10 0.794% * 0.0233% (0.04 1.0 10.00 0.02 0.02) = 0.023% T HB3 GLU- 109 - HA GLU- 10 0.794% * 0.0233% (0.04 1.0 10.00 0.02 0.02) = 0.023% HB2 PRO 86 - HA GLU- 107 0.794% * 0.0186% (0.34 1.0 1.00 0.02 0.02) = 0.019% HB3 MET 118 - HA GLU- 56 0.794% * 0.0185% (0.34 1.0 1.00 0.02 0.02) = 0.018% HB3 MET 118 - HA GLU- 75 0.794% * 0.0170% (0.31 1.0 1.00 0.02 0.02) = 0.017% T HB VAL 13 - HA LYS+ 108 0.794% * 0.0168% (0.03 1.0 10.00 0.02 0.02) = 0.017% HB2 LYS+ 108 - HA ARG+ 84 0.794% * 0.0166% (0.31 1.0 1.00 0.02 0.02) = 0.017% HB3 MET 118 - HA SER 85 0.794% * 0.0164% (0.30 1.0 1.00 0.02 0.02) = 0.016% T HB VAL 13 - HA GLU- 10 0.794% * 0.0164% (0.03 1.0 10.00 0.02 0.02) = 0.016% HB3 MET 118 - HA GLU- 64 0.794% * 0.0161% (0.30 1.0 1.00 0.02 0.02) = 0.016% HB2 PRO 86 - HA ARG+ 84 0.794% * 0.0160% (0.30 1.0 1.00 0.02 0.02) = 0.016% T HB3 GLU- 75 - HA LYS+ 108 0.794% * 0.0154% (0.03 1.0 10.00 0.02 0.02) = 0.015% HG3 PRO 112 - HA GLU- 56 0.794% * 0.0150% (0.28 1.0 1.00 0.02 0.14) = 0.015% HG3 PRO 104 - HA GLU- 107 0.794% * 0.0140% (0.26 1.0 1.00 0.02 0.02) = 0.014% HG3 PRO 112 - HA GLU- 75 0.794% * 0.0139% (0.26 1.0 1.00 0.02 0.30) = 0.014% HG3 PRO 112 - HA SER 85 0.794% * 0.0134% (0.25 1.0 1.00 0.02 0.02) = 0.013% HG3 PRO 112 - HA GLU- 64 0.794% * 0.0131% (0.24 1.0 1.00 0.02 0.02) = 0.013% HB VAL 73 - HA GLU- 107 0.794% * 0.0124% (0.23 1.0 1.00 0.02 0.12) = 0.012% HG3 PRO 104 - HA ARG+ 84 0.794% * 0.0120% (0.22 1.0 1.00 0.02 0.02) = 0.012% T HB2 GLU- 18 - HA ASP- 36 0.794% * 0.0113% (0.02 1.0 10.00 0.02 0.02) = 0.011% HB VAL 73 - HA ARG+ 84 0.794% * 0.0107% (0.20 1.0 1.00 0.02 0.02) = 0.011% HG2 PRO 112 - HA GLU- 107 0.794% * 0.0095% (0.18 1.0 1.00 0.02 0.02) = 0.010% HB VAL 13 - HA GLU- 56 0.794% * 0.0095% (0.17 1.0 1.00 0.02 0.02) = 0.009% HB2 PRO 86 - HA LYS+ 108 0.794% * 0.0093% (0.17 1.0 1.00 0.02 0.02) = 0.009% HB2 PRO 86 - HA GLU- 10 0.794% * 0.0090% (0.17 1.0 1.00 0.02 0.02) = 0.009% HB VAL 13 - HA GLU- 75 0.794% * 0.0087% (0.16 1.0 1.00 0.02 0.56) = 0.009% HB VAL 13 - HA SER 85 0.794% * 0.0084% (0.16 1.0 1.00 0.02 0.02) = 0.008% HG3 PRO 116 - HA GLU- 56 0.794% * 0.0083% (0.15 1.0 1.00 0.02 0.02) = 0.008% HB VAL 13 - HA GLU- 64 0.794% * 0.0083% (0.15 1.0 1.00 0.02 0.02) = 0.008% HG2 PRO 112 - HA ARG+ 84 0.794% * 0.0082% (0.15 1.0 1.00 0.02 0.02) = 0.008% HG3 PRO 116 - HA GLU- 75 0.794% * 0.0077% (0.14 1.0 1.00 0.02 0.02) = 0.008% HG3 PRO 116 - HA SER 85 0.794% * 0.0074% (0.14 1.0 1.00 0.02 0.02) = 0.007% HG3 PRO 116 - HA GLU- 64 0.794% * 0.0073% (0.13 1.0 1.00 0.02 0.02) = 0.007% T HB3 GLU- 75 - HA ASP- 36 0.794% * 0.0073% (0.01 1.0 10.00 0.02 0.02) = 0.007% HG3 PRO 104 - HA LYS+ 108 0.794% * 0.0070% (0.13 1.0 1.00 0.02 0.02) = 0.007% HG3 PRO 104 - HA GLU- 10 0.794% * 0.0068% (0.13 1.0 1.00 0.02 0.02) = 0.007% HB3 MET 118 - HA GLU- 107 0.794% * 0.0066% (0.12 1.0 1.00 0.02 0.02) = 0.007% HB VAL 73 - HA LYS+ 108 0.794% * 0.0062% (0.11 1.0 1.00 0.02 0.02) = 0.006% HB VAL 73 - HA GLU- 10 0.794% * 0.0060% (0.11 1.0 1.00 0.02 0.02) = 0.006% HB3 MET 118 - HA ARG+ 84 0.794% * 0.0057% (0.10 1.0 1.00 0.02 0.02) = 0.006% HG3 PRO 112 - HA GLU- 107 0.794% * 0.0053% (0.10 1.0 1.00 0.02 0.02) = 0.005% HG2 PRO 112 - HA LYS+ 108 0.794% * 0.0048% (0.09 1.0 1.00 0.02 0.02) = 0.005% HG3 PRO 112 - HA ARG+ 84 0.794% * 0.0046% (0.09 1.0 1.00 0.02 0.02) = 0.005% HB2 LYS+ 108 - HA ASP- 36 0.794% * 0.0045% (0.08 1.0 1.00 0.02 0.02) = 0.005% HB2 PRO 86 - HA ASP- 36 0.794% * 0.0044% (0.08 1.0 1.00 0.02 0.02) = 0.004% HB3 GLU- 56 - HA ASP- 36 0.794% * 0.0038% (0.07 1.0 1.00 0.02 0.02) = 0.004% HG3 PRO 104 - HA ASP- 36 0.794% * 0.0033% (0.06 1.0 1.00 0.02 0.02) = 0.003% HB3 MET 118 - HA LYS+ 108 0.794% * 0.0033% (0.06 1.0 1.00 0.02 0.02) = 0.003% HB3 MET 118 - HA GLU- 10 0.794% * 0.0032% (0.06 1.0 1.00 0.02 0.02) = 0.003% HG3 PRO 116 - HA GLU- 107 0.794% * 0.0030% (0.05 1.0 1.00 0.02 0.02) = 0.003% HB VAL 73 - HA ASP- 36 0.794% * 0.0029% (0.05 1.0 1.00 0.02 0.02) = 0.003% HB VAL 13 - HA ARG+ 84 0.794% * 0.0029% (0.05 1.0 1.00 0.02 0.02) = 0.003% HG3 PRO 112 - HA LYS+ 108 0.794% * 0.0027% (0.05 1.0 1.00 0.02 0.02) = 0.003% HG3 PRO 112 - HA GLU- 10 0.794% * 0.0026% (0.05 1.0 1.00 0.02 0.02) = 0.003% HG3 PRO 116 - HA ARG+ 84 0.794% * 0.0026% (0.05 1.0 1.00 0.02 0.02) = 0.003% HB2 HIS+ 14 - HA ASP- 36 0.794% * 0.0016% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB3 MET 118 - HA ASP- 36 0.794% * 0.0016% (0.03 1.0 1.00 0.02 0.02) = 0.002% HG3 PRO 116 - HA LYS+ 108 0.794% * 0.0015% (0.03 1.0 1.00 0.02 0.02) = 0.001% HG3 PRO 116 - HA GLU- 10 0.794% * 0.0014% (0.03 1.0 1.00 0.02 0.02) = 0.001% HG3 PRO 112 - HA ASP- 36 0.794% * 0.0013% (0.02 1.0 1.00 0.02 1.46) = 0.001% HB3 GLU- 109 - HA ASP- 36 0.794% * 0.0011% (0.02 1.0 1.00 0.02 0.02) = 0.001% HB VAL 13 - HA ASP- 36 0.794% * 0.0008% (0.01 1.0 1.00 0.02 0.02) = 0.001% HG3 PRO 116 - HA ASP- 36 0.794% * 0.0007% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 4166 (4.28, 2.34, 36.71 ppm): 36 chemical-shift based assignments, quality = 0.828, support = 3.55, residual support = 26.6: * O HA GLU- 56 - HG3 GLU- 56 2.778% * 91.3547% (0.83 10.0 3.77 29.00) = 91.355% kept HA VAL 94 - HG3 GLU- 56 2.778% * 7.3695% (0.95 1.0 1.40 1.53) = 7.369% kept HA PRO 52 - HG3 GLU- 56 2.778% * 0.1044% (0.95 1.0 0.02 0.02) = 0.104% HA SER 85 - HG3 GLU- 56 2.778% * 0.1044% (0.95 1.0 0.02 0.02) = 0.104% HA ARG+ 84 - HG3 GLU- 56 2.778% * 0.1044% (0.95 1.0 0.02 0.02) = 0.104% HA VAL 122 - HG3 GLU- 56 2.778% * 0.1016% (0.92 1.0 0.02 0.02) = 0.102% HA LEU 90 - HG3 GLU- 56 2.778% * 0.0972% (0.88 1.0 0.02 0.02) = 0.097% HB3 CYS 121 - HG3 GLU- 56 2.778% * 0.0805% (0.73 1.0 0.02 0.02) = 0.080% HA GLU- 64 - HG3 GLU- 56 2.778% * 0.0765% (0.69 1.0 0.02 0.02) = 0.076% HA GLU- 75 - HG3 GLU- 56 2.778% * 0.0723% (0.66 1.0 0.02 0.02) = 0.072% HA THR 106 - HG3 GLU- 56 2.778% * 0.0681% (0.62 1.0 0.02 0.02) = 0.068% HA CYS 121 - HG3 GLU- 56 2.778% * 0.0639% (0.58 1.0 0.02 0.02) = 0.064% HA ASP- 36 - HG3 GLU- 56 2.778% * 0.0395% (0.36 1.0 0.02 0.02) = 0.040% HA GLU- 107 - HG3 GLU- 56 2.778% * 0.0395% (0.36 1.0 0.02 0.02) = 0.040% HA ASN 119 - HG3 GLU- 56 2.778% * 0.0395% (0.36 1.0 0.02 0.02) = 0.040% HA ASN 76 - HG3 GLU- 56 2.778% * 0.0359% (0.33 1.0 0.02 0.02) = 0.036% HA ALA 11 - HG3 GLU- 56 2.778% * 0.0293% (0.27 1.0 0.02 0.02) = 0.029% HB3 SER 49 - HG3 GLU- 56 2.778% * 0.0179% (0.16 1.0 0.02 0.02) = 0.018% HA VAL 94 - HG3 GLU- 50 2.778% * 0.0166% (0.15 1.0 0.02 0.02) = 0.017% HA PRO 52 - HG3 GLU- 50 2.778% * 0.0165% (0.15 1.0 0.02 0.30) = 0.016% HA ARG+ 84 - HG3 GLU- 50 2.778% * 0.0165% (0.15 1.0 0.02 0.02) = 0.016% HA SER 85 - HG3 GLU- 50 2.778% * 0.0165% (0.15 1.0 0.02 0.02) = 0.016% HA VAL 122 - HG3 GLU- 50 2.778% * 0.0161% (0.15 1.0 0.02 0.02) = 0.016% HA LEU 90 - HG3 GLU- 50 2.778% * 0.0154% (0.14 1.0 0.02 0.02) = 0.015% HA GLU- 56 - HG3 GLU- 50 2.778% * 0.0144% (0.13 1.0 0.02 0.47) = 0.014% HB3 CYS 121 - HG3 GLU- 50 2.778% * 0.0127% (0.12 1.0 0.02 0.02) = 0.013% HA GLU- 64 - HG3 GLU- 50 2.778% * 0.0121% (0.11 1.0 0.02 0.02) = 0.012% HA GLU- 75 - HG3 GLU- 50 2.778% * 0.0114% (0.10 1.0 0.02 0.72) = 0.011% HA THR 106 - HG3 GLU- 50 2.778% * 0.0108% (0.10 1.0 0.02 0.02) = 0.011% HA CYS 121 - HG3 GLU- 50 2.778% * 0.0101% (0.09 1.0 0.02 0.02) = 0.010% HA ASP- 36 - HG3 GLU- 50 2.778% * 0.0062% (0.06 1.0 0.02 0.02) = 0.006% HA GLU- 107 - HG3 GLU- 50 2.778% * 0.0062% (0.06 1.0 0.02 0.02) = 0.006% HA ASN 119 - HG3 GLU- 50 2.778% * 0.0062% (0.06 1.0 0.02 0.02) = 0.006% HA ASN 76 - HG3 GLU- 50 2.778% * 0.0057% (0.05 1.0 0.02 0.02) = 0.006% HA ALA 11 - HG3 GLU- 50 2.778% * 0.0046% (0.04 1.0 0.02 0.02) = 0.005% HB3 SER 49 - HG3 GLU- 50 2.778% * 0.0028% (0.03 1.0 0.02 17.78) = 0.003% Peak 4167 (2.34, 2.34, 36.71 ppm): 2 diagonal assignments: * HG3 GLU- 56 - HG3 GLU- 56 (0.94) kept HG3 GLU- 50 - HG3 GLU- 50 (0.06) kept Peak 4168 (0.89, 3.70, 29.49 ppm): 10 chemical-shift based assignments, quality = 0.451, support = 1.09, residual support = 2.88: QG1 VAL 47 - HB2 TRP 51 10.000% * 79.4110% (0.45 1.33 3.62) = 79.411% kept QG2 VAL 40 - HB2 TRP 51 10.000% * 13.9930% (0.49 0.22 0.02) = 13.993% kept QG1 VAL 80 - HB2 TRP 51 10.000% * 1.4118% (0.54 0.02 0.02) = 1.412% kept QG2 VAL 87 - HB2 TRP 51 10.000% * 1.2775% (0.49 0.02 0.02) = 1.277% kept QG2 VAL 125 - HB2 TRP 51 10.000% * 1.0886% (0.42 0.02 0.02) = 1.089% kept QD1 LEU 67 - HB2 TRP 51 10.000% * 1.0886% (0.42 0.02 0.02) = 1.089% kept HG3 LYS+ 117 - HB2 TRP 51 10.000% * 0.9784% (0.37 0.02 0.80) = 0.978% QG2 ILE 100 - HB2 TRP 51 10.000% * 0.2819% (0.11 0.02 1.40) = 0.282% QD1 LEU 90 - HB2 TRP 51 10.000% * 0.2495% (0.10 0.02 0.02) = 0.249% QG2 VAL 80 - HB2 TRP 51 10.000% * 0.2198% (0.08 0.02 0.02) = 0.220% Peak 4169 (3.71, 0.83, 15.60 ppm): 6 chemical-shift based assignments, quality = 0.837, support = 3.14, residual support = 7.57: HB2 TRP 51 - QG1 VAL 13 16.667% * 48.0754% (0.84 3.35 8.37) = 48.075% kept * HB2 TRP 51 - QD1 ILE 29 16.667% * 46.9101% (0.85 3.24 7.56) = 46.910% kept HA LYS+ 81 - QG1 VAL 13 16.667% * 4.0432% (0.89 0.26 0.02) = 4.043% kept HB3 SER 69 - QD1 ILE 29 16.667% * 0.3332% (0.97 0.02 0.02) = 0.333% HB3 SER 69 - QG1 VAL 13 16.667% * 0.3298% (0.96 0.02 0.02) = 0.330% HA LYS+ 81 - QD1 ILE 29 16.667% * 0.3082% (0.90 0.02 0.02) = 0.308% Peak 4170 (4.34, 4.36, 56.50 ppm): 2 diagonal assignments: * HA TRP 51 - HA TRP 51 (0.13) kept HA LYS+ 60 - HA LYS+ 60 (0.11) kept Peak 4172 (1.84, 4.36, 56.43 ppm): 24 chemical-shift based assignments, quality = 0.669, support = 3.32, residual support = 27.2: T HB2 PRO 59 - HA LYS+ 60 4.167% * 49.1780% (0.72 1.0 10.00 3.01 12.86) = 49.178% kept O T HB3 LYS+ 60 - HA LYS+ 60 4.167% * 45.3970% (0.67 10.0 10.00 3.97 45.24) = 45.397% kept HD2 PRO 59 - HA LYS+ 60 4.167% * 2.2949% (0.37 1.0 1.00 1.81 12.86) = 2.295% kept T HB2 LYS+ 66 - HA LYS+ 60 4.167% * 0.5657% (0.83 1.0 10.00 0.02 0.02) = 0.566% T HB2 LYS+ 66 - HA TRP 51 4.167% * 0.5406% (0.80 1.0 10.00 0.02 0.02) = 0.541% T HB2 PRO 59 - HA TRP 51 4.167% * 0.4700% (0.69 1.0 10.00 0.02 1.63) = 0.470% T HB3 LYS+ 60 - HA TRP 51 4.167% * 0.4338% (0.64 1.0 10.00 0.02 0.02) = 0.434% T HB2 PRO 104 - HA LYS+ 60 4.167% * 0.4117% (0.61 1.0 10.00 0.02 0.02) = 0.412% T HB2 PRO 104 - HA TRP 51 4.167% * 0.3934% (0.58 1.0 10.00 0.02 0.02) = 0.393% HB3 LYS+ 72 - HA LYS+ 60 4.167% * 0.0433% (0.64 1.0 1.00 0.02 0.02) = 0.043% HB3 LYS+ 72 - HA TRP 51 4.167% * 0.0414% (0.61 1.0 1.00 0.02 0.02) = 0.041% HB VAL 94 - HA LYS+ 60 4.167% * 0.0276% (0.41 1.0 1.00 0.02 0.02) = 0.028% HB VAL 94 - HA TRP 51 4.167% * 0.0264% (0.39 1.0 1.00 0.02 0.02) = 0.026% HD2 PRO 59 - HA TRP 51 4.167% * 0.0243% (0.36 1.0 1.00 0.02 1.63) = 0.024% HD3 LYS+ 117 - HA LYS+ 60 4.167% * 0.0233% (0.34 1.0 1.00 0.02 0.02) = 0.023% HD3 LYS+ 117 - HA TRP 51 4.167% * 0.0223% (0.33 1.0 1.00 0.02 0.80) = 0.022% HG3 LYS+ 108 - HA LYS+ 60 4.167% * 0.0213% (0.31 1.0 1.00 0.02 0.02) = 0.021% HG3 LYS+ 108 - HA TRP 51 4.167% * 0.0203% (0.30 1.0 1.00 0.02 0.02) = 0.020% HD3 LYS+ 72 - HA LYS+ 60 4.167% * 0.0141% (0.21 1.0 1.00 0.02 0.02) = 0.014% HD3 LYS+ 72 - HA TRP 51 4.167% * 0.0135% (0.20 1.0 1.00 0.02 0.02) = 0.014% HB2 GLU- 109 - HA LYS+ 60 4.167% * 0.0099% (0.15 1.0 1.00 0.02 0.02) = 0.010% HB2 GLU- 109 - HA TRP 51 4.167% * 0.0095% (0.14 1.0 1.00 0.02 0.02) = 0.009% HG2 PRO 112 - HA LYS+ 60 4.167% * 0.0091% (0.13 1.0 1.00 0.02 0.02) = 0.009% HG2 PRO 112 - HA TRP 51 4.167% * 0.0087% (0.13 1.0 1.00 0.02 0.43) = 0.009% Peak 4173 (4.93, 1.33, 30.88 ppm): 3 chemical-shift based assignments, quality = 0.581, support = 1.61, residual support = 4.07: HA ILE 101 - HB2 ARG+ 22 33.333% * 42.7628% (0.56 1.88 3.69) = 42.763% kept HA ALA 33 - HB2 ARG+ 22 33.333% * 37.4272% (0.76 1.22 2.07) = 37.427% kept * HA HIS+ 98 - HB2 ARG+ 22 33.333% * 19.8100% (0.28 1.77 8.68) = 19.810% kept Peak 4174 (4.93, 1.22, 30.87 ppm): 3 chemical-shift based assignments, quality = 0.769, support = 1.72, residual support = 4.4: HA ILE 101 - HB3 ARG+ 22 33.333% * 42.0025% (0.80 1.95 3.69) = 42.003% kept HA ALA 33 - HB3 ARG+ 22 33.333% * 32.9923% (0.94 1.29 2.07) = 32.992% kept * HA HIS+ 98 - HB3 ARG+ 22 33.333% * 25.0052% (0.49 1.91 8.68) = 25.005% kept Peak 4175 (5.19, 5.19, 54.16 ppm): 1 diagonal assignment: * HA ARG+ 22 - HA ARG+ 22 (0.98) kept Peak 4176 (5.40, 5.19, 54.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 4177 (5.97, 5.19, 54.16 ppm): 1 chemical-shift based assignment, quality = 0.687, support = 2.0, residual support = 4.21: * T HA ASP- 28 - HA ARG+ 22 100.000% *100.0000% (0.69 10.00 2.00 4.21) = 100.000% kept Peak 4178 (8.97, 5.19, 54.16 ppm): 6 chemical-shift based assignments, quality = 0.413, support = 4.11, residual support = 68.0: * O HN ARG+ 22 - HA ARG+ 22 16.667% * 69.7784% (0.28 10.0 5.18 95.87) = 69.778% kept HN MET 97 - HA ARG+ 22 16.667% * 10.8623% (0.87 1.0 1.00 0.98) = 10.862% kept HN ILE 19 - HA ARG+ 22 16.667% * 10.5938% (0.99 1.0 0.85 1.47) = 10.594% kept HN PHE 21 - HA ARG+ 22 16.667% * 7.5785% (0.15 1.0 3.91 10.51) = 7.579% kept HN LEU 17 - HA ARG+ 22 16.667% * 1.1310% (0.69 1.0 0.13 0.02) = 1.131% kept HN THR 96 - HA ARG+ 22 16.667% * 0.0559% (0.22 1.0 0.02 0.02) = 0.056% Peak 4179 (9.32, 5.19, 54.16 ppm): 1 chemical-shift based assignment, quality = 0.309, support = 5.27, residual support = 20.8: HN ILE 29 - HA ARG+ 22 100.000% *100.0000% (0.31 5.27 20.80) = 100.000% kept Reference assignment not found: HN LEU 23 - HA ARG+ 22 Peak 4180 (8.51, 5.19, 54.16 ppm): 2 chemical-shift based assignments, quality = 0.294, support = 0.352, residual support = 0.402: HN GLU- 10 - HA ARG+ 22 50.000% * 67.0777% (0.34 0.37 0.51) = 67.078% kept HN GLU- 18 - HA ARG+ 22 50.000% * 32.9223% (0.20 0.31 0.18) = 32.922% kept Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 4182 (1.32, 1.32, 30.88 ppm): 1 diagonal assignment: * HB2 ARG+ 22 - HB2 ARG+ 22 (0.80) kept Peak 4183 (1.22, 1.33, 30.88 ppm): 3 chemical-shift based assignments, quality = 0.867, support = 4.32, residual support = 93.2: O T HB3 ARG+ 22 - HB2 ARG+ 22 33.333% * 97.2031% (0.86 10.0 10.00 4.43 95.87) = 97.203% kept HG12 ILE 100 - HB2 ARG+ 22 33.333% * 2.7155% (1.00 1.0 1.00 0.48 0.02) = 2.716% kept HB2 LEU 67 - HB2 ARG+ 22 33.333% * 0.0814% (0.72 1.0 1.00 0.02 0.32) = 0.081% Peak 4184 (0.69, 1.33, 30.88 ppm): 10 chemical-shift based assignments, quality = 0.931, support = 1.38, residual support = 1.89: QG2 ILE 101 - HB2 ARG+ 22 10.000% * 32.4681% (0.94 2.04 3.69) = 32.468% kept QG2 ILE 48 - HB2 ARG+ 22 10.000% * 19.8094% (0.98 1.19 0.71) = 19.809% kept HG12 ILE 19 - HB2 ARG+ 22 10.000% * 18.9845% (0.89 1.25 1.47) = 18.985% kept QD1 ILE 19 - HB2 ARG+ 22 10.000% * 18.6421% (0.96 1.14 1.47) = 18.642% kept QG2 VAL 94 - HB2 ARG+ 22 10.000% * 4.7485% (0.92 0.30 0.02) = 4.748% kept QG1 VAL 65 - HB2 ARG+ 22 10.000% * 4.5869% (0.86 0.31 0.02) = 4.587% kept QG2 ILE 68 - HB2 ARG+ 22 10.000% * 0.3129% (0.92 0.02 0.02) = 0.313% QG2 THR 96 - HB2 ARG+ 22 10.000% * 0.2328% (0.68 0.02 0.02) = 0.233% QG1 VAL 62 - HB2 ARG+ 22 10.000% * 0.1393% (0.41 0.02 0.02) = 0.139% HG LEU 74 - HB2 ARG+ 22 10.000% * 0.0755% (0.22 0.02 0.02) = 0.075% Peak 4185 (1.32, 1.22, 30.87 ppm): 4 chemical-shift based assignments, quality = 0.963, support = 4.33, residual support = 93.4: O T HB2 ARG+ 22 - HB3 ARG+ 22 25.000% * 97.4250% (0.96 10.0 10.00 4.43 95.87) = 97.425% kept QG2 THR 46 - HB3 ARG+ 22 25.000% * 2.5194% (0.94 1.0 1.00 0.53 0.02) = 2.519% kept QB ALA 103 - HB3 ARG+ 22 25.000% * 0.0379% (0.37 1.0 1.00 0.02 0.02) = 0.038% HB2 LYS+ 55 - HB3 ARG+ 22 25.000% * 0.0177% (0.17 1.0 1.00 0.02 0.02) = 0.018% Peak 4186 (1.22, 1.22, 30.87 ppm): 1 diagonal assignment: * HB3 ARG+ 22 - HB3 ARG+ 22 (0.99) kept Peak 4187 (0.69, 1.22, 30.87 ppm): 10 chemical-shift based assignments, quality = 0.932, support = 1.28, residual support = 1.92: QG2 ILE 101 - HB3 ARG+ 22 10.000% * 35.3495% (0.94 1.99 3.69) = 35.350% kept QG2 ILE 48 - HB3 ARG+ 22 10.000% * 21.9924% (0.98 1.18 0.71) = 21.992% kept HG12 ILE 19 - HB3 ARG+ 22 10.000% * 17.4459% (0.90 1.03 1.47) = 17.446% kept QD1 ILE 19 - HB3 ARG+ 22 10.000% * 13.8355% (0.96 0.76 1.47) = 13.835% kept QG2 VAL 94 - HB3 ARG+ 22 10.000% * 5.3555% (0.92 0.31 0.02) = 5.355% kept QG1 VAL 65 - HB3 ARG+ 22 10.000% * 5.1733% (0.87 0.32 0.02) = 5.173% kept QG2 ILE 68 - HB3 ARG+ 22 10.000% * 0.3489% (0.92 0.02 0.02) = 0.349% QG2 THR 96 - HB3 ARG+ 22 10.000% * 0.2596% (0.69 0.02 0.02) = 0.260% QG1 VAL 62 - HB3 ARG+ 22 10.000% * 0.1554% (0.41 0.02 0.02) = 0.155% HG LEU 74 - HB3 ARG+ 22 10.000% * 0.0841% (0.22 0.02 0.02) = 0.084% Peak 4188 (6.75, 1.37, 26.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 4189 (6.75, 1.65, 26.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 4190 (5.20, 1.43, 26.34 ppm): 1 chemical-shift based assignment, quality = 0.835, support = 5.86, residual support = 95.9: * O HA ARG+ 22 - HG3 ARG+ 22 100.000% *100.0000% (0.84 10.0 5.86 95.87) = 100.000% kept Peak 4191 (8.97, 1.43, 26.34 ppm): 6 chemical-shift based assignments, quality = 0.435, support = 3.58, residual support = 51.9: * HN ARG+ 22 - HG3 ARG+ 22 16.667% * 51.8727% (0.28 5.43 95.87) = 51.873% kept HN MET 97 - HG3 ARG+ 22 16.667% * 20.1249% (0.87 0.68 0.98) = 20.125% kept HN PHE 21 - HG3 ARG+ 22 16.667% * 17.8498% (0.15 3.37 10.51) = 17.850% kept HN ILE 19 - HG3 ARG+ 22 16.667% * 8.8994% (0.99 0.26 1.47) = 8.899% kept HN THR 96 - HG3 ARG+ 22 16.667% * 0.7810% (0.22 0.10 0.02) = 0.781% HN LEU 17 - HG3 ARG+ 22 16.667% * 0.4721% (0.69 0.02 0.02) = 0.472% Peak 4192 (1.33, 1.43, 26.34 ppm): 3 chemical-shift based assignments, quality = 0.993, support = 5.82, residual support = 93.9: * O HB2 ARG+ 22 - HG3 ARG+ 22 33.333% * 97.9052% (1.00 10.0 5.94 95.87) = 97.905% kept QG2 THR 46 - HG3 ARG+ 22 33.333% * 2.0729% (0.80 1.0 0.53 0.02) = 2.073% kept QB ALA 103 - HG3 ARG+ 22 33.333% * 0.0218% (0.22 1.0 0.02 0.02) = 0.022% Peak 4193 (3.30, 1.43, 26.66 ppm): 4 chemical-shift based assignments, quality = 0.152, support = 4.26, residual support = 94.6: O HD3 ARG+ 22 - HG3 ARG+ 22 25.000% * 98.7187% (0.15 10.0 4.31 95.87) = 98.719% kept HD3 ARG+ 53 - HG3 ARG+ 22 25.000% * 0.8962% (0.07 1.0 0.41 0.02) = 0.896% HE3 LYS+ 63 - HG3 ARG+ 22 25.000% * 0.2723% (0.11 1.0 0.08 0.02) = 0.272% HD2 PRO 52 - HG3 ARG+ 22 25.000% * 0.1128% (0.18 1.0 0.02 0.02) = 0.113% Peak 4194 (6.97, 1.43, 26.34 ppm): 1 chemical-shift based assignment, quality = 0.946, support = 0.75, residual support = 1.5: HD22 ASN 57 - HG3 ARG+ 22 100.000% *100.0000% (0.95 0.75 1.50) = 100.000% kept Peak 4195 (8.97, 1.64, 26.34 ppm): 6 chemical-shift based assignments, quality = 0.557, support = 3.08, residual support = 38.5: * HN ARG+ 22 - HG2 ARG+ 22 16.667% * 37.9685% (0.28 5.33 95.87) = 37.968% kept HN MET 97 - HG2 ARG+ 22 16.667% * 26.9001% (0.87 1.21 0.98) = 26.900% kept HN ILE 19 - HG2 ARG+ 22 16.667% * 19.6162% (0.99 0.77 1.47) = 19.616% kept HN PHE 21 - HG2 ARG+ 22 16.667% * 15.0494% (0.15 3.81 10.51) = 15.049% kept HN LEU 17 - HG2 ARG+ 22 16.667% * 0.3518% (0.69 0.02 0.02) = 0.352% HN THR 96 - HG2 ARG+ 22 16.667% * 0.1140% (0.22 0.02 0.02) = 0.114% Peak 4196 (6.97, 1.64, 26.34 ppm): 1 chemical-shift based assignment, quality = 0.946, support = 0.75, residual support = 1.5: HD22 ASN 57 - HG2 ARG+ 22 100.000% *100.0000% (0.95 0.75 1.50) = 100.000% kept Peak 4197 (9.31, 1.64, 26.34 ppm): 2 chemical-shift based assignments, quality = 0.634, support = 4.9, residual support = 30.1: HN ILE 29 - HG2 ARG+ 22 50.000% * 52.5725% (0.84 3.51 20.80) = 52.573% kept * HN LEU 23 - HG2 ARG+ 22 50.000% * 47.4275% (0.41 6.44 40.43) = 47.427% kept Peak 4198 (9.31, 1.43, 26.34 ppm): 2 chemical-shift based assignments, quality = 0.484, support = 4.39, residual support = 28.9: HN ILE 29 - HG3 ARG+ 22 50.000% * 58.9874% (0.65 3.30 20.80) = 58.987% kept * HN LEU 23 - HG3 ARG+ 22 50.000% * 41.0126% (0.25 5.96 40.43) = 41.013% kept Peak 4199 (5.20, 1.64, 26.34 ppm): 1 chemical-shift based assignment, quality = 0.764, support = 6.09, residual support = 95.9: * O HA ARG+ 22 - HG2 ARG+ 22 100.000% *100.0000% (0.76 10.0 6.09 95.87) = 100.000% kept Peak 4200 (1.43, 1.43, 26.34 ppm): 1 diagonal assignment: * HG3 ARG+ 22 - HG3 ARG+ 22 (0.97) kept Peak 4201 (1.65, 1.64, 26.34 ppm): 1 diagonal assignment: * HG2 ARG+ 22 - HG2 ARG+ 22 (0.99) kept Peak 4202 (4.79, 1.62, 28.17 ppm): 8 chemical-shift based assignments, quality = 0.822, support = 5.36, residual support = 118.5: * O HA LEU 23 - HG LEU 23 12.500% * 98.6025% (0.83 10.0 5.43 120.22) = 98.602% kept HA LEU 23 - HB VAL 122 12.500% * 1.0808% (0.72 1.0 0.25 0.02) = 1.081% kept HA ASN 15 - HG LEU 23 12.500% * 0.0764% (0.64 1.0 0.02 0.02) = 0.076% HA ASN 15 - HB VAL 122 12.500% * 0.0666% (0.56 1.0 0.02 0.02) = 0.067% HA GLU- 18 - HG LEU 23 12.500% * 0.0485% (0.41 1.0 0.02 0.02) = 0.049% HB THR 39 - HG LEU 23 12.500% * 0.0443% (0.37 1.0 0.02 0.02) = 0.044% HA GLU- 18 - HB VAL 122 12.500% * 0.0423% (0.35 1.0 0.02 0.02) = 0.042% HB THR 39 - HB VAL 122 12.500% * 0.0386% (0.32 1.0 0.02 0.02) = 0.039% Peak 4203 (5.21, 3.29, 42.19 ppm): 1 chemical-shift based assignment, quality = 0.448, support = 5.26, residual support = 95.9: * HA ARG+ 22 - HD3 ARG+ 22 100.000% *100.0000% (0.45 5.26 95.87) = 100.000% kept Peak 4204 (9.32, 3.29, 42.19 ppm): 2 chemical-shift based assignments, quality = 0.422, support = 4.13, residual support = 28.5: HN ILE 29 - HD3 ARG+ 22 50.000% * 60.7385% (0.57 3.10 20.80) = 60.738% kept * HN LEU 23 - HD3 ARG+ 22 50.000% * 39.2615% (0.20 5.73 40.43) = 39.262% kept Peak 4205 (3.29, 3.29, 42.19 ppm): 1 diagonal assignment: * HD3 ARG+ 22 - HD3 ARG+ 22 (1.00) kept Peak 4206 (8.45, 3.29, 42.19 ppm): 6 chemical-shift based assignments, quality = 0.431, support = 0.281, residual support = 0.0861: HN GLY 92 - HD3 ARG+ 22 16.667% * 61.6803% (0.41 0.37 0.13) = 61.680% kept HN LYS+ 113 - HD3 ARG+ 22 16.667% * 17.3944% (0.15 0.28 0.02) = 17.394% kept HN LEU 74 - HD3 ARG+ 22 16.667% * 8.1043% (1.00 0.02 0.02) = 8.104% kept HN GLU- 107 - HD3 ARG+ 22 16.667% * 5.2427% (0.65 0.02 0.02) = 5.243% kept HN ARG+ 53 - HD3 ARG+ 22 16.667% * 3.9448% (0.49 0.02 0.02) = 3.945% kept HN CYS 123 - HD3 ARG+ 22 16.667% * 3.6334% (0.45 0.02 0.02) = 3.633% kept Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 4207 (3.29, 1.64, 26.34 ppm): 4 chemical-shift based assignments, quality = 0.995, support = 5.28, residual support = 94.0: * O HD3 ARG+ 22 - HG2 ARG+ 22 25.000% * 98.0718% (1.00 10.0 5.37 95.87) = 98.072% kept HD3 ARG+ 53 - HG2 ARG+ 22 25.000% * 1.7364% (0.84 1.0 0.42 0.02) = 1.736% kept HD2 PRO 52 - HG2 ARG+ 22 25.000% * 0.0972% (0.99 1.0 0.02 0.02) = 0.097% HE3 LYS+ 63 - HG2 ARG+ 22 25.000% * 0.0946% (0.97 1.0 0.02 0.02) = 0.095% Peak 4208 (3.29, 1.43, 26.34 ppm): 4 chemical-shift based assignments, quality = 0.993, support = 4.23, residual support = 93.8: * O HD3 ARG+ 22 - HG3 ARG+ 22 25.000% * 97.8595% (1.00 10.0 4.31 95.87) = 97.859% kept HD3 ARG+ 53 - HG3 ARG+ 22 25.000% * 1.6848% (0.84 1.0 0.41 0.02) = 1.685% kept HE3 LYS+ 63 - HG3 ARG+ 22 25.000% * 0.3587% (0.97 1.0 0.08 0.02) = 0.359% HD2 PRO 52 - HG3 ARG+ 22 25.000% * 0.0970% (0.99 1.0 0.02 0.02) = 0.097% Peak 4209 (8.07, 1.97, 32.81 ppm): 30 chemical-shift based assignments, quality = 0.223, support = 1.54, residual support = 6.25: O HN MET 118 - HB3 MET 118 3.333% * 38.2673% (0.13 10.0 1.68 3.77) = 38.267% kept O HN GLU- 75 - HB2 GLU- 75 3.333% * 17.5197% (0.05 10.0 2.00 24.21) = 17.520% kept HN ASN 15 - HB VAL 13 3.333% * 10.4498% (0.44 1.0 1.32 0.52) = 10.450% kept HN LYS+ 110 - HB VAL 13 3.333% * 10.2845% (0.31 1.0 1.86 4.14) = 10.285% kept HN MET 118 - HB VAL 13 3.333% * 9.4565% (0.50 1.0 1.06 0.44) = 9.456% kept HN GLU- 75 - HB VAL 13 3.333% * 7.0949% (0.35 1.0 1.13 0.56) = 7.095% kept HN CYS 121 - HB VAL 13 3.333% * 4.7932% (0.31 1.0 0.87 0.14) = 4.793% kept HN MET 118 - HB2 PRO 35 3.333% * 0.2639% (0.74 1.0 0.02 0.02) = 0.264% HN ASN 15 - HB2 PRO 35 3.333% * 0.2335% (0.65 1.0 0.02 0.02) = 0.234% HN MET 118 - HB3 LYS+ 55 3.333% * 0.1909% (0.54 1.0 0.02 0.02) = 0.191% HN GLU- 75 - HB2 PRO 35 3.333% * 0.1849% (0.52 1.0 0.02 0.02) = 0.185% HN ASN 15 - HB3 LYS+ 55 3.333% * 0.1690% (0.47 1.0 0.02 0.02) = 0.169% HN LYS+ 110 - HB2 PRO 35 3.333% * 0.1633% (0.46 1.0 0.02 0.02) = 0.163% HN CYS 121 - HB2 PRO 35 3.333% * 0.1633% (0.46 1.0 0.02 0.02) = 0.163% HN CYS 121 - HB2 GLU- 75 3.333% * 0.1415% (0.04 1.0 0.18 0.02) = 0.142% HN GLU- 75 - HB3 LYS+ 55 3.333% * 0.1338% (0.38 1.0 0.02 0.02) = 0.134% HN CYS 121 - HB3 LYS+ 55 3.333% * 0.1181% (0.33 1.0 0.02 0.02) = 0.118% HN LYS+ 110 - HB3 LYS+ 55 3.333% * 0.1181% (0.33 1.0 0.02 0.02) = 0.118% HN ASN 15 - HB3 MET 118 3.333% * 0.0402% (0.11 1.0 0.02 0.02) = 0.040% HN GLU- 75 - HB3 MET 118 3.333% * 0.0319% (0.09 1.0 0.02 0.02) = 0.032% HN CYS 121 - HB3 MET 118 3.333% * 0.0281% (0.08 1.0 0.02 0.02) = 0.028% HN LYS+ 110 - HB3 MET 118 3.333% * 0.0281% (0.08 1.0 0.02 0.02) = 0.028% HN MET 118 - HB2 GLU- 75 3.333% * 0.0250% (0.07 1.0 0.02 0.02) = 0.025% HN ASN 15 - HB2 GLU- 75 3.333% * 0.0222% (0.06 1.0 0.02 0.02) = 0.022% HN MET 118 - HB2 PRO 116 3.333% * 0.0164% (0.05 1.0 0.02 0.02) = 0.016% HN LYS+ 110 - HB2 GLU- 75 3.333% * 0.0155% (0.04 1.0 0.02 0.02) = 0.015% HN ASN 15 - HB2 PRO 116 3.333% * 0.0145% (0.04 1.0 0.02 0.02) = 0.014% HN GLU- 75 - HB2 PRO 116 3.333% * 0.0115% (0.03 1.0 0.02 0.02) = 0.011% HN LYS+ 110 - HB2 PRO 116 3.333% * 0.0101% (0.03 1.0 0.02 0.02) = 0.010% HN CYS 121 - HB2 PRO 116 3.333% * 0.0101% (0.03 1.0 0.02 0.02) = 0.010% Reference assignment not found: HN MET 118 - HB3 LYS+ 117 Peak 4210 (8.42, 1.97, 32.81 ppm): 18 chemical-shift based assignments, quality = 0.224, support = 0.722, residual support = 1.55: O HN LYS+ 117 - HB2 PRO 116 5.556% * 41.8424% (0.05 10.0 1.00 3.37) = 41.842% kept HN LYS+ 117 - HB VAL 13 5.556% * 26.5146% (0.50 1.0 0.58 0.02) = 26.515% kept HN LYS+ 117 - HB3 MET 118 5.556% * 10.8822% (0.13 1.0 0.94 0.83) = 10.882% kept HN ARG+ 53 - HB3 LYS+ 55 5.556% * 10.8266% (0.31 1.0 0.38 0.34) = 10.827% kept HN CYS 123 - HB3 LYS+ 55 5.556% * 4.2355% (0.33 1.0 0.14 0.02) = 4.235% kept HN LYS+ 117 - HB2 PRO 35 5.556% * 1.3506% (0.74 1.0 0.02 0.02) = 1.351% kept HN LYS+ 117 - HB3 LYS+ 55 5.556% * 0.9771% (0.54 1.0 0.02 0.02) = 0.977% HN CYS 123 - HB2 PRO 35 5.556% * 0.8357% (0.46 1.0 0.02 0.02) = 0.836% HN ARG+ 53 - HB2 PRO 35 5.556% * 0.7801% (0.43 1.0 0.02 0.02) = 0.780% HN CYS 123 - HB VAL 13 5.556% * 0.5665% (0.31 1.0 0.02 0.02) = 0.567% HN ARG+ 53 - HB VAL 13 5.556% * 0.5288% (0.29 1.0 0.02 0.02) = 0.529% HN CYS 123 - HB3 MET 118 5.556% * 0.1440% (0.08 1.0 0.02 0.02) = 0.144% HN ARG+ 53 - HB3 MET 118 5.556% * 0.1344% (0.07 1.0 0.02 0.02) = 0.134% HN LYS+ 117 - HB2 GLU- 75 5.556% * 0.1281% (0.07 1.0 0.02 0.02) = 0.128% HN CYS 123 - HB2 GLU- 75 5.556% * 0.0793% (0.04 1.0 0.02 0.02) = 0.079% HN ARG+ 53 - HB2 GLU- 75 5.556% * 0.0740% (0.04 1.0 0.02 0.02) = 0.074% HN CYS 123 - HB2 PRO 116 5.556% * 0.0518% (0.03 1.0 0.02 0.02) = 0.052% HN ARG+ 53 - HB2 PRO 116 5.556% * 0.0483% (0.03 1.0 0.02 0.02) = 0.048% Reference assignment not found: HN LYS+ 117 - HB3 LYS+ 117 Peak 4211 (8.07, 4.22, 56.96 ppm): 42 chemical-shift based assignments, quality = 0.388, support = 2.05, residual support = 12.3: O HN GLU- 75 - HA GLU- 75 2.381% * 49.7935% (0.15 10.0 3.39 24.21) = 49.794% kept HN LYS+ 110 - HA LYS+ 108 2.381% * 11.3386% (0.52 1.0 1.27 0.39) = 11.339% kept HN MET 118 - HA GLU- 12 2.381% * 10.0669% (0.78 1.0 0.75 0.65) = 10.067% kept HN LYS+ 110 - HA GLU- 12 2.381% * 9.0829% (0.78 1.0 0.68 0.02) = 9.083% kept HN ASN 15 - HA GLU- 12 2.381% * 7.3477% (0.61 1.0 0.71 1.19) = 7.348% kept HN GLU- 75 - HA ASP- 82 2.381% * 3.4243% (0.36 1.0 0.55 0.02) = 3.424% kept HN GLU- 75 - HA GLU- 12 2.381% * 3.1788% (0.84 1.0 0.22 0.02) = 3.179% kept HN CYS 121 - HA GLU- 12 2.381% * 2.8078% (0.78 1.0 0.21 0.02) = 2.808% kept HN GLU- 75 - HA LYS+ 108 2.381% * 0.1921% (0.56 1.0 0.02 0.02) = 0.192% HN GLU- 75 - HA GLU- 10 2.381% * 0.1888% (0.55 1.0 0.02 0.02) = 0.189% HN CYS 121 - HA LYS+ 108 2.381% * 0.1789% (0.52 1.0 0.02 0.02) = 0.179% HN MET 118 - HA LYS+ 108 2.381% * 0.1789% (0.52 1.0 0.02 0.02) = 0.179% HN MET 118 - HA GLU- 10 2.381% * 0.1759% (0.51 1.0 0.02 0.02) = 0.176% HN CYS 121 - HA GLU- 10 2.381% * 0.1759% (0.51 1.0 0.02 0.02) = 0.176% HN LYS+ 110 - HA GLU- 10 2.381% * 0.1759% (0.51 1.0 0.02 0.02) = 0.176% HN ASN 15 - HA LYS+ 108 2.381% * 0.1385% (0.40 1.0 0.02 0.02) = 0.139% HN ASN 15 - HA GLU- 10 2.381% * 0.1362% (0.40 1.0 0.02 0.02) = 0.136% HN LYS+ 110 - HA ASP- 82 2.381% * 0.1163% (0.34 1.0 0.02 0.02) = 0.116% HN CYS 121 - HA ASP- 82 2.381% * 0.1163% (0.34 1.0 0.02 0.02) = 0.116% HN MET 118 - HA ASP- 82 2.381% * 0.1163% (0.34 1.0 0.02 0.02) = 0.116% HN ASN 15 - HA ASP- 82 2.381% * 0.0901% (0.26 1.0 0.02 0.02) = 0.090% HN VAL 122 - HA GLU- 12 2.381% * 0.0803% (0.23 1.0 0.02 0.02) = 0.080% HN GLU- 75 - HA GLU- 107 2.381% * 0.0730% (0.21 1.0 0.02 0.02) = 0.073% HN CYS 121 - HA GLU- 107 2.381% * 0.0680% (0.20 1.0 0.02 0.02) = 0.068% HN MET 118 - HA GLU- 107 2.381% * 0.0680% (0.20 1.0 0.02 0.02) = 0.068% HN LYS+ 110 - HA GLU- 107 2.381% * 0.0680% (0.20 1.0 0.02 0.02) = 0.068% HN VAL 122 - HA LYS+ 108 2.381% * 0.0534% (0.16 1.0 0.02 0.02) = 0.053% HN ASN 15 - HA GLU- 107 2.381% * 0.0526% (0.15 1.0 0.02 0.02) = 0.053% HN VAL 122 - HA GLU- 10 2.381% * 0.0525% (0.15 1.0 0.02 0.02) = 0.053% HN CYS 121 - HA GLU- 75 2.381% * 0.0464% (0.14 1.0 0.02 0.02) = 0.046% HN LYS+ 110 - HA GLU- 75 2.381% * 0.0464% (0.14 1.0 0.02 0.02) = 0.046% HN MET 118 - HA GLU- 75 2.381% * 0.0464% (0.14 1.0 0.02 0.02) = 0.046% HN GLU- 75 - HA GLU- 64 2.381% * 0.0459% (0.13 1.0 0.02 0.02) = 0.046% HN CYS 121 - HA GLU- 64 2.381% * 0.0427% (0.12 1.0 0.02 0.02) = 0.043% HN MET 118 - HA GLU- 64 2.381% * 0.0427% (0.12 1.0 0.02 0.02) = 0.043% HN LYS+ 110 - HA GLU- 64 2.381% * 0.0427% (0.12 1.0 0.02 0.02) = 0.043% HN ASN 15 - HA GLU- 75 2.381% * 0.0359% (0.10 1.0 0.02 0.02) = 0.036% HN VAL 122 - HA ASP- 82 2.381% * 0.0347% (0.10 1.0 0.02 0.02) = 0.035% HN ASN 15 - HA GLU- 64 2.381% * 0.0331% (0.10 1.0 0.02 0.02) = 0.033% HN VAL 122 - HA GLU- 107 2.381% * 0.0203% (0.06 1.0 0.02 0.02) = 0.020% HN VAL 122 - HA GLU- 75 2.381% * 0.0138% (0.04 1.0 0.02 0.02) = 0.014% HN VAL 122 - HA GLU- 64 2.381% * 0.0128% (0.04 1.0 0.02 0.02) = 0.013% Reference assignment not found: HN MET 118 - HA LYS+ 117 Peak 4212 (4.23, 1.96, 32.85 ppm): 84 chemical-shift based assignments, quality = 0.392, support = 1.33, residual support = 3.93: T HA GLU- 12 - HB VAL 13 1.190% * 56.6015% (0.54 1.0 10.00 1.32 1.35) = 56.601% kept O T HA LYS+ 108 - HB2 LYS+ 108 1.190% * 13.3171% (0.08 10.0 10.00 2.39 13.55) = 13.317% kept HA GLU- 54 - HB3 LYS+ 55 1.190% * 9.1952% (0.57 1.0 1.00 2.04 12.25) = 9.195% kept T HA GLU- 107 - HB2 LYS+ 108 1.190% * 3.8607% (0.03 1.0 10.00 1.94 5.96) = 3.861% kept T HA GLU- 10 - HB2 PRO 35 1.190% * 1.1391% (0.72 1.0 10.00 0.02 0.02) = 1.139% kept T HA LYS+ 108 - HB2 PRO 35 1.190% * 1.1391% (0.72 1.0 10.00 0.02 0.02) = 1.139% kept T HA GLU- 12 - HB2 PRO 35 1.190% * 1.0422% (0.66 1.0 10.00 0.02 0.02) = 1.042% kept T HA GLU- 10 - HB VAL 13 1.190% * 0.9339% (0.59 1.0 10.00 0.02 0.02) = 0.934% T HA LYS+ 108 - HB VAL 13 1.190% * 0.9339% (0.59 1.0 10.00 0.02 0.02) = 0.934% T HA GLU- 10 - HB3 LYS+ 55 1.190% * 0.8994% (0.57 1.0 10.00 0.02 0.02) = 0.899% T HA LYS+ 108 - HB3 LYS+ 55 1.190% * 0.8994% (0.57 1.0 10.00 0.02 0.02) = 0.899% T HA GLU- 12 - HB3 LYS+ 55 1.190% * 0.8229% (0.52 1.0 10.00 0.02 0.02) = 0.823% HA GLU- 109 - HB2 LYS+ 108 1.190% * 0.7307% (0.10 1.0 1.00 0.94 4.63) = 0.731% T HB3 SER 49 - HB2 PRO 35 1.190% * 0.6638% (0.42 1.0 10.00 0.02 0.02) = 0.664% T HB3 SER 49 - HB VAL 13 1.190% * 0.5442% (0.34 1.0 10.00 0.02 0.02) = 0.544% HA ALA 11 - HB VAL 13 1.190% * 0.4523% (0.24 1.0 1.00 0.24 0.02) = 0.452% T HA ASP- 82 - HB2 PRO 35 1.190% * 0.4209% (0.27 1.0 10.00 0.02 0.02) = 0.421% T HA ASN 76 - HB2 PRO 35 1.190% * 0.3792% (0.24 1.0 10.00 0.02 0.02) = 0.379% T HA ASP- 82 - HB VAL 13 1.190% * 0.3451% (0.22 1.0 10.00 0.02 0.02) = 0.345% T HA ASN 119 - HB2 PRO 35 1.190% * 0.3401% (0.21 1.0 10.00 0.02 0.02) = 0.340% T HA GLU- 107 - HB2 PRO 35 1.190% * 0.3401% (0.21 1.0 10.00 0.02 0.02) = 0.340% T HA ASP- 82 - HB3 LYS+ 55 1.190% * 0.3323% (0.21 1.0 10.00 0.02 0.12) = 0.332% T HA ASN 76 - HB VAL 13 1.190% * 0.3109% (0.20 1.0 10.00 0.02 0.02) = 0.311% T HA ASN 76 - HB3 LYS+ 55 1.190% * 0.2994% (0.19 1.0 10.00 0.02 0.02) = 0.299% T HA GLU- 107 - HB VAL 13 1.190% * 0.2788% (0.18 1.0 10.00 0.02 0.02) = 0.279% T HA ASN 119 - HB VAL 13 1.190% * 0.2788% (0.18 1.0 10.00 0.02 0.34) = 0.279% T HA GLU- 107 - HB3 LYS+ 55 1.190% * 0.2685% (0.17 1.0 10.00 0.02 0.02) = 0.268% T HA ASN 119 - HB3 LYS+ 55 1.190% * 0.2685% (0.17 1.0 10.00 0.02 0.02) = 0.268% HA SER 49 - HB2 PRO 35 1.190% * 0.1352% (0.85 1.0 1.00 0.02 0.02) = 0.135% HA GLU- 109 - HB2 PRO 35 1.190% * 0.1337% (0.84 1.0 1.00 0.02 0.02) = 0.134% T HA GLU- 10 - HB2 LYS+ 108 1.190% * 0.1332% (0.08 1.0 10.00 0.02 0.02) = 0.133% HA ALA 42 - HB2 PRO 35 1.190% * 0.1316% (0.83 1.0 1.00 0.02 0.02) = 0.132% T HA GLU- 12 - HB2 LYS+ 108 1.190% * 0.1218% (0.08 1.0 10.00 0.02 0.02) = 0.122% T HA GLU- 10 - HB2 GLU- 75 1.190% * 0.1148% (0.07 1.0 10.00 0.02 0.02) = 0.115% T HA LYS+ 108 - HB2 GLU- 75 1.190% * 0.1148% (0.07 1.0 10.00 0.02 0.02) = 0.115% HA GLU- 54 - HB2 PRO 35 1.190% * 0.1139% (0.72 1.0 1.00 0.02 0.02) = 0.114% HA SER 49 - HB VAL 13 1.190% * 0.1108% (0.70 1.0 1.00 0.02 0.02) = 0.111% HA GLU- 109 - HB VAL 13 1.190% * 0.1096% (0.69 1.0 1.00 0.02 0.02) = 0.110% HA ALA 42 - HB VAL 13 1.190% * 0.1079% (0.68 1.0 1.00 0.02 0.02) = 0.108% HA SER 49 - HB3 LYS+ 55 1.190% * 0.1067% (0.67 1.0 1.00 0.02 0.02) = 0.107% HA GLU- 109 - HB3 LYS+ 55 1.190% * 0.1055% (0.67 1.0 1.00 0.02 0.02) = 0.106% T HA GLU- 12 - HB2 GLU- 75 1.190% * 0.1051% (0.07 1.0 10.00 0.02 0.02) = 0.105% HA ALA 42 - HB3 LYS+ 55 1.190% * 0.1039% (0.65 1.0 1.00 0.02 0.02) = 0.104% HA GLU- 54 - HB VAL 13 1.190% * 0.0934% (0.59 1.0 1.00 0.02 0.02) = 0.093% T HB3 SER 49 - HB2 LYS+ 108 1.190% * 0.0776% (0.05 1.0 10.00 0.02 0.02) = 0.078% HA PRO 59 - HB2 PRO 35 1.190% * 0.0772% (0.49 1.0 1.00 0.02 0.02) = 0.077% HA PRO 59 - HB VAL 13 1.190% * 0.0633% (0.40 1.0 1.00 0.02 0.16) = 0.063% HA PRO 59 - HB3 LYS+ 55 1.190% * 0.0610% (0.38 1.0 1.00 0.02 0.02) = 0.061% T HA GLU- 10 - HB2 PRO 116 1.190% * 0.0606% (0.04 1.0 10.00 0.02 0.02) = 0.061% T HA LYS+ 108 - HB2 PRO 116 1.190% * 0.0606% (0.04 1.0 10.00 0.02 0.02) = 0.061% T HA GLU- 12 - HB2 PRO 116 1.190% * 0.0554% (0.03 1.0 10.00 0.02 0.02) = 0.055% HB3 SER 49 - HB3 LYS+ 55 1.190% * 0.0524% (0.33 1.0 1.00 0.02 0.02) = 0.052% T HA ASP- 82 - HB2 LYS+ 108 1.190% * 0.0492% (0.03 1.0 10.00 0.02 0.02) = 0.049% HA ALA 11 - HB2 PRO 35 1.190% * 0.0465% (0.29 1.0 1.00 0.02 0.02) = 0.047% T HA ASN 76 - HB2 LYS+ 108 1.190% * 0.0443% (0.03 1.0 10.00 0.02 0.02) = 0.044% T HA ASP- 82 - HB2 GLU- 75 1.190% * 0.0424% (0.03 1.0 10.00 0.02 0.02) = 0.042% T HA ASN 119 - HB2 LYS+ 108 1.190% * 0.0398% (0.03 1.0 10.00 0.02 0.02) = 0.040% T HA ASN 76 - HB2 GLU- 75 1.190% * 0.0382% (0.02 1.0 10.00 0.02 0.02) = 0.038% HA ALA 11 - HB3 LYS+ 55 1.190% * 0.0367% (0.23 1.0 1.00 0.02 0.02) = 0.037% T HA GLU- 107 - HB2 GLU- 75 1.190% * 0.0343% (0.02 1.0 10.00 0.02 0.02) = 0.034% T HA ASN 119 - HB2 GLU- 75 1.190% * 0.0343% (0.02 1.0 10.00 0.02 0.02) = 0.034% T HA ASP- 82 - HB2 PRO 116 1.190% * 0.0224% (0.01 1.0 10.00 0.02 0.02) = 0.022% T HA ASN 76 - HB2 PRO 116 1.190% * 0.0202% (0.01 1.0 10.00 0.02 0.02) = 0.020% T HA GLU- 107 - HB2 PRO 116 1.190% * 0.0181% (0.01 1.0 10.00 0.02 0.02) = 0.018% T HA ASN 119 - HB2 PRO 116 1.190% * 0.0181% (0.01 1.0 10.00 0.02 0.02) = 0.018% HA SER 49 - HB2 LYS+ 108 1.190% * 0.0158% (0.10 1.0 1.00 0.02 0.02) = 0.016% HA ALA 42 - HB2 LYS+ 108 1.190% * 0.0154% (0.10 1.0 1.00 0.02 0.02) = 0.015% HA SER 49 - HB2 GLU- 75 1.190% * 0.0136% (0.09 1.0 1.00 0.02 0.02) = 0.014% HA GLU- 109 - HB2 GLU- 75 1.190% * 0.0135% (0.08 1.0 1.00 0.02 0.02) = 0.013% HA GLU- 54 - HB2 LYS+ 108 1.190% * 0.0133% (0.08 1.0 1.00 0.02 0.02) = 0.013% HA ALA 42 - HB2 GLU- 75 1.190% * 0.0133% (0.08 1.0 1.00 0.02 0.02) = 0.013% HA GLU- 54 - HB2 GLU- 75 1.190% * 0.0115% (0.07 1.0 1.00 0.02 0.02) = 0.011% HA PRO 59 - HB2 LYS+ 108 1.190% * 0.0090% (0.06 1.0 1.00 0.02 0.17) = 0.009% HA PRO 59 - HB2 GLU- 75 1.190% * 0.0078% (0.05 1.0 1.00 0.02 0.22) = 0.008% HA SER 49 - HB2 PRO 116 1.190% * 0.0072% (0.05 1.0 1.00 0.02 0.02) = 0.007% HA GLU- 109 - HB2 PRO 116 1.190% * 0.0071% (0.04 1.0 1.00 0.02 0.02) = 0.007% HA ALA 42 - HB2 PRO 116 1.190% * 0.0070% (0.04 1.0 1.00 0.02 0.02) = 0.007% HB3 SER 49 - HB2 GLU- 75 1.190% * 0.0067% (0.04 1.0 1.00 0.02 0.02) = 0.007% HA GLU- 54 - HB2 PRO 116 1.190% * 0.0061% (0.04 1.0 1.00 0.02 0.02) = 0.006% HA ALA 11 - HB2 LYS+ 108 1.190% * 0.0054% (0.03 1.0 1.00 0.02 0.02) = 0.005% HA ALA 11 - HB2 GLU- 75 1.190% * 0.0047% (0.03 1.0 1.00 0.02 0.02) = 0.005% HA PRO 59 - HB2 PRO 116 1.190% * 0.0041% (0.03 1.0 1.00 0.02 0.02) = 0.004% HB3 SER 49 - HB2 PRO 116 1.190% * 0.0035% (0.02 1.0 1.00 0.02 0.02) = 0.004% HA ALA 11 - HB2 PRO 116 1.190% * 0.0025% (0.02 1.0 1.00 0.02 0.02) = 0.002% Reference assignment not found: HA LYS+ 117 - HB3 LYS+ 117 Peak 4213 (4.21, 2.03, 29.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HA LYS+ 117 - HD3 LYS+ 117 Peak unassigned. Peak 4214 (2.33, 2.32, 32.25 ppm): 2 diagonal assignments: HB3 PRO 86 - HB3 PRO 86 (0.85) kept * HB3 PRO 116 - HB3 PRO 116 (0.07) kept Peak 4215 (2.14, 2.14, 27.70 ppm): 2 diagonal assignments: HG2 PRO 112 - HG2 PRO 112 (0.38) kept HG2 PRO 104 - HG2 PRO 104 (0.06) kept Peak 4216 (8.89, 2.58, 32.91 ppm): 3 chemical-shift based assignments, quality = 0.788, support = 4.51, residual support = 16.1: * O HN ASP- 36 - HB3 PRO 35 33.333% * 99.9205% (0.79 10.0 4.51 16.09) = 99.921% kept HN GLN 102 - HB3 PRO 35 33.333% * 0.0434% (0.34 1.0 0.02 0.02) = 0.043% HN ILE 68 - HB3 PRO 35 33.333% * 0.0360% (0.28 1.0 0.02 0.02) = 0.036% Peak 4217 (4.68, 2.14, 27.70 ppm): 12 chemical-shift based assignments, quality = 0.344, support = 1.07, residual support = 1.29: HA PRO 35 - HG2 PRO 112 8.333% * 73.2757% (0.34 1.35 1.75) = 73.276% kept HA ASN 89 - HG2 PRO 112 8.333% * 21.8452% (0.40 0.34 0.02) = 21.845% kept HA TYR 83 - HG2 PRO 112 8.333% * 1.2697% (0.40 0.02 0.02) = 1.270% kept HA LYS+ 120 - HG2 PRO 112 8.333% * 0.6815% (0.22 0.02 0.02) = 0.681% HA ASN 89 - HG2 PRO 104 8.333% * 0.6328% (0.20 0.02 0.02) = 0.633% HA TYR 83 - HG2 PRO 104 8.333% * 0.6328% (0.20 0.02 0.02) = 0.633% HA PRO 35 - HG2 PRO 104 8.333% * 0.5392% (0.17 0.02 0.02) = 0.539% HA LYS+ 120 - HG2 PRO 104 8.333% * 0.3397% (0.11 0.02 0.02) = 0.340% HA GLN 16 - HG2 PRO 112 8.333% * 0.3230% (0.10 0.02 0.02) = 0.323% HA VAL 99 - HG2 PRO 112 8.333% * 0.1999% (0.06 0.02 0.02) = 0.200% HA GLN 16 - HG2 PRO 104 8.333% * 0.1610% (0.05 0.02 0.02) = 0.161% HA VAL 99 - HG2 PRO 104 8.333% * 0.0996% (0.03 0.02 0.02) = 0.100% Peak 4218 (0.29, 1.87, 50.27 ppm): 2 chemical-shift based assignments, quality = 0.994, support = 1.37, residual support = 1.6: * QD2 LEU 23 - HD3 PRO 52 50.000% * 51.6728% (0.99 1.42 1.63) = 51.673% kept QG1 VAL 122 - HD3 PRO 52 50.000% * 48.3272% (1.00 1.32 1.58) = 48.327% kept Peak 4219 (0.84, 1.87, 50.27 ppm): 9 chemical-shift based assignments, quality = 0.834, support = 2.52, residual support = 5.94: QG1 VAL 13 - HD3 PRO 52 11.111% * 37.7030% (0.87 3.53 8.43) = 37.703% kept * QD1 ILE 29 - HD3 PRO 52 11.111% * 27.5826% (0.87 2.58 3.62) = 27.583% kept QG2 VAL 13 - HD3 PRO 52 11.111% * 18.1636% (0.94 1.56 8.43) = 18.164% kept QD2 LEU 17 - HD3 PRO 52 11.111% * 8.7949% (0.37 1.90 2.64) = 8.795% kept HG2 LYS+ 117 - HD3 PRO 52 11.111% * 4.7095% (0.99 0.39 0.02) = 4.709% kept QG1 VAL 94 - HD3 PRO 52 11.111% * 2.8617% (0.61 0.38 0.02) = 2.862% kept QD2 LEU 90 - HD3 PRO 52 11.111% * 0.0685% (0.28 0.02 2.38) = 0.068% QD1 LEU 90 - HD3 PRO 52 11.111% * 0.0614% (0.25 0.02 2.38) = 0.061% QG2 ILE 100 - HD3 PRO 52 11.111% * 0.0548% (0.22 0.02 0.02) = 0.055% Peak 4220 (2.21, 3.27, 50.25 ppm): 13 chemical-shift based assignments, quality = 0.454, support = 4.93, residual support = 111.8: O T HB2 PRO 52 - HD2 PRO 52 7.692% * 93.4893% (0.45 10.0 10.00 5.25 119.56) = 93.489% kept HB2 GLU- 50 - HD2 PRO 52 7.692% * 3.4677% (0.62 1.0 1.00 0.54 0.30) = 3.468% kept HA1 GLY 58 - HD2 PRO 52 7.692% * 1.4511% (0.65 1.0 1.00 0.22 0.02) = 1.451% kept HG2 PRO 112 - HD2 PRO 52 7.692% * 0.8354% (0.66 1.0 1.00 0.12 0.02) = 0.835% HG3 MET 126 - HD2 PRO 52 7.692% * 0.1358% (0.66 1.0 1.00 0.02 0.02) = 0.136% HG3 MET 97 - HD2 PRO 52 7.692% * 0.1349% (0.65 1.0 1.00 0.02 0.02) = 0.135% HG3 GLU- 18 - HD2 PRO 52 7.692% * 0.1221% (0.59 1.0 1.00 0.02 0.02) = 0.122% HG3 GLN 102 - HD2 PRO 52 7.692% * 0.1090% (0.53 1.0 1.00 0.02 0.02) = 0.109% HG3 GLU- 109 - HD2 PRO 52 7.692% * 0.0935% (0.45 1.0 1.00 0.02 0.02) = 0.093% HG2 MET 126 - HD2 PRO 52 7.692% * 0.0662% (0.32 1.0 1.00 0.02 0.02) = 0.066% HB3 GLU- 45 - HD2 PRO 52 7.692% * 0.0378% (0.18 1.0 1.00 0.02 0.02) = 0.038% HG3 GLN 16 - HD2 PRO 52 7.692% * 0.0303% (0.15 1.0 1.00 0.02 0.12) = 0.030% HG3 GLU- 10 - HD2 PRO 52 7.692% * 0.0269% (0.13 1.0 1.00 0.02 0.02) = 0.027% Peak 4221 (3.29, 1.87, 50.25 ppm): 4 chemical-shift based assignments, quality = 0.974, support = 4.18, residual support = 110.9: * O T HD2 PRO 52 - HD3 PRO 52 25.000% * 91.4990% (0.99 10.0 10.00 4.43 119.56) = 91.499% kept HD3 ARG+ 53 - HD3 PRO 52 25.000% * 6.5016% (0.76 1.0 1.00 1.86 23.27) = 6.502% kept HD3 ARG+ 22 - HD3 PRO 52 25.000% * 1.9149% (0.98 1.0 1.00 0.42 0.02) = 1.915% kept HE3 LYS+ 63 - HD3 PRO 52 25.000% * 0.0845% (0.91 1.0 1.00 0.02 1.23) = 0.084% Peak 4222 (1.70, 1.87, 50.25 ppm): 5 chemical-shift based assignments, quality = 0.715, support = 4.95, residual support = 116.6: * O HG2 PRO 52 - HD3 PRO 52 20.000% * 97.5515% (0.72 10.0 5.06 119.56) = 97.552% kept HB2 GLN 16 - HD3 PRO 52 20.000% * 2.2914% (0.60 1.0 0.56 0.12) = 2.291% kept HG13 ILE 19 - HD3 PRO 52 20.000% * 0.0761% (0.56 1.0 0.02 0.02) = 0.076% HD3 LYS+ 55 - HD3 PRO 52 20.000% * 0.0602% (0.44 1.0 0.02 2.54) = 0.060% HB3 LYS+ 81 - HD3 PRO 52 20.000% * 0.0207% (0.15 1.0 0.02 0.02) = 0.021% Peak 4223 (1.48, 1.87, 50.25 ppm): 9 chemical-shift based assignments, quality = 0.75, support = 4.5, residual support = 118.4: * O T HG3 PRO 52 - HD3 PRO 52 11.111% * 99.0462% (0.76 10.0 10.00 4.54 119.56) = 99.046% kept T HG2 PRO 59 - HD3 PRO 52 11.111% * 0.4421% (0.34 1.0 10.00 0.02 0.02) = 0.442% HB3 LYS+ 44 - HD3 PRO 52 11.111% * 0.1226% (0.94 1.0 1.00 0.02 0.02) = 0.123% QB ALA 70 - HD3 PRO 52 11.111% * 0.1196% (0.91 1.0 1.00 0.02 0.02) = 0.120% HB3 LEU 67 - HD3 PRO 52 11.111% * 0.1083% (0.83 1.0 1.00 0.02 0.14) = 0.108% HG13 ILE 48 - HD3 PRO 52 11.111% * 0.0682% (0.52 1.0 1.00 0.02 0.02) = 0.068% HG3 LYS+ 60 - HD3 PRO 52 11.111% * 0.0442% (0.34 1.0 1.00 0.02 0.02) = 0.044% HD3 LYS+ 108 - HD3 PRO 52 11.111% * 0.0289% (0.22 1.0 1.00 0.02 0.02) = 0.029% HB2 LYS+ 72 - HD3 PRO 52 11.111% * 0.0200% (0.15 1.0 1.00 0.02 0.02) = 0.020% Peak 4224 (1.47, 1.47, 27.63 ppm): 2 diagonal assignments: * HG3 PRO 52 - HG3 PRO 52 (1.00) kept HG2 PRO 59 - HG2 PRO 59 (0.16) kept Peak 4226 (1.47, 1.68, 27.63 ppm): 16 chemical-shift based assignments, quality = 0.92, support = 5.18, residual support = 115.0: * O T HG3 PRO 52 - HG2 PRO 52 6.250% * 96.1943% (0.96 10.0 10.00 5.38 119.56) = 96.194% kept HB3 LEU 67 - HG3 ARG+ 84 6.250% * 0.9152% (0.40 1.0 1.00 0.46 0.99) = 0.915% T HG3 LYS+ 60 - HG2 PRO 52 6.250% * 0.7351% (0.73 1.0 10.00 0.02 0.02) = 0.735% T HG2 PRO 59 - HG2 PRO 52 6.250% * 0.7351% (0.73 1.0 10.00 0.02 0.02) = 0.735% T HG3 PRO 52 - HG3 ARG+ 84 6.250% * 0.4044% (0.40 1.0 10.00 0.02 0.02) = 0.404% T HG3 LYS+ 60 - HG3 ARG+ 84 6.250% * 0.3090% (0.31 1.0 10.00 0.02 0.02) = 0.309% T HG2 PRO 59 - HG3 ARG+ 84 6.250% * 0.3090% (0.31 1.0 10.00 0.02 0.02) = 0.309% HB3 LEU 67 - HG2 PRO 52 6.250% * 0.0953% (0.95 1.0 1.00 0.02 0.14) = 0.095% HG13 ILE 48 - HG2 PRO 52 6.250% * 0.0888% (0.88 1.0 1.00 0.02 0.02) = 0.089% HB3 LYS+ 44 - HG2 PRO 52 6.250% * 0.0545% (0.54 1.0 1.00 0.02 0.02) = 0.054% QB ALA 70 - HG2 PRO 52 6.250% * 0.0506% (0.50 1.0 1.00 0.02 0.02) = 0.051% HG13 ILE 48 - HG3 ARG+ 84 6.250% * 0.0373% (0.37 1.0 1.00 0.02 0.02) = 0.037% HB3 LYS+ 44 - HG3 ARG+ 84 6.250% * 0.0229% (0.23 1.0 1.00 0.02 0.02) = 0.023% QB ALA 70 - HG3 ARG+ 84 6.250% * 0.0213% (0.21 1.0 1.00 0.02 0.02) = 0.021% HG LEU 90 - HG2 PRO 52 6.250% * 0.0190% (0.19 1.0 1.00 0.02 2.38) = 0.019% HG LEU 90 - HG3 ARG+ 84 6.250% * 0.0080% (0.08 1.0 1.00 0.02 0.02) = 0.008% Peak 4227 (1.69, 1.68, 27.63 ppm): 1 diagonal assignment: * HG2 PRO 52 - HG2 PRO 52 (0.96) kept Peak 4228 (3.29, 1.68, 27.63 ppm): 8 chemical-shift based assignments, quality = 0.872, support = 4.8, residual support = 111.6: * O T HD2 PRO 52 - HG2 PRO 52 12.500% * 91.8030% (0.90 10.0 10.00 4.99 119.56) = 91.803% kept HD3 ARG+ 53 - HG2 PRO 52 12.500% * 7.7091% (0.54 1.0 1.00 2.81 23.27) = 7.709% kept HD3 ARG+ 22 - HG3 ARG+ 84 12.500% * 0.2339% (0.36 1.0 1.00 0.13 0.02) = 0.234% HD3 ARG+ 22 - HG2 PRO 52 12.500% * 0.0870% (0.86 1.0 1.00 0.02 0.02) = 0.087% HE3 LYS+ 63 - HG2 PRO 52 12.500% * 0.0742% (0.73 1.0 1.00 0.02 1.23) = 0.074% HD2 PRO 52 - HG3 ARG+ 84 12.500% * 0.0386% (0.38 1.0 1.00 0.02 0.02) = 0.039% HE3 LYS+ 63 - HG3 ARG+ 84 12.500% * 0.0312% (0.31 1.0 1.00 0.02 0.02) = 0.031% HD3 ARG+ 53 - HG3 ARG+ 84 12.500% * 0.0231% (0.23 1.0 1.00 0.02 0.02) = 0.023% Peak 4229 (2.23, 1.68, 27.63 ppm): 30 chemical-shift based assignments, quality = 0.853, support = 5.15, residual support = 101.8: * O HB2 PRO 52 - HG2 PRO 52 3.333% * 85.1079% (0.90 10.0 1.00 6.01 119.56) = 85.108% kept T HG3 GLN 16 - HG2 PRO 52 3.333% * 7.9817% (0.83 1.0 10.00 0.20 0.12) = 7.982% kept HB2 GLU- 50 - HG2 PRO 52 3.333% * 2.6765% (0.66 1.0 1.00 0.87 0.30) = 2.677% kept T HG3 GLN 102 - HG2 PRO 52 3.333% * 0.7804% (0.83 1.0 10.00 0.02 0.02) = 0.780% HG2 PRO 112 - HG2 PRO 52 3.333% * 0.5517% (0.95 1.0 1.00 0.12 0.02) = 0.552% T HG3 MET 97 - HG2 PRO 52 3.333% * 0.5094% (0.54 1.0 10.00 0.02 0.02) = 0.509% T HG3 MET 126 - HG2 PRO 52 3.333% * 0.4034% (0.43 1.0 10.00 0.02 0.02) = 0.403% T HG3 GLN 102 - HG3 ARG+ 84 3.333% * 0.3281% (0.35 1.0 10.00 0.02 0.02) = 0.328% T HG3 GLN 16 - HG3 ARG+ 84 3.333% * 0.3281% (0.35 1.0 10.00 0.02 0.02) = 0.328% HG2 PRO 112 - HG3 ARG+ 84 3.333% * 0.2269% (0.40 1.0 1.00 0.12 0.02) = 0.227% T HG3 MET 97 - HG3 ARG+ 84 3.333% * 0.2141% (0.23 1.0 10.00 0.02 0.02) = 0.214% T HG3 MET 126 - HG3 ARG+ 84 3.333% * 0.1696% (0.18 1.0 10.00 0.02 0.02) = 0.170% HG3 GLU- 109 - HG2 PRO 52 3.333% * 0.0851% (0.90 1.0 1.00 0.02 0.02) = 0.085% HB3 GLU- 45 - HG2 PRO 52 3.333% * 0.0831% (0.88 1.0 1.00 0.02 0.02) = 0.083% HG3 GLU- 10 - HG2 PRO 52 3.333% * 0.0751% (0.80 1.0 1.00 0.02 0.02) = 0.075% HG3 GLU- 18 - HG2 PRO 52 3.333% * 0.0688% (0.73 1.0 1.00 0.02 0.02) = 0.069% HB3 ASN 15 - HG2 PRO 52 3.333% * 0.0618% (0.66 1.0 1.00 0.02 0.02) = 0.062% HA1 GLY 58 - HG2 PRO 52 3.333% * 0.0509% (0.54 1.0 1.00 0.02 0.02) = 0.051% HG3 GLU- 109 - HG3 ARG+ 84 3.333% * 0.0358% (0.38 1.0 1.00 0.02 0.02) = 0.036% HB2 PRO 52 - HG3 ARG+ 84 3.333% * 0.0358% (0.38 1.0 1.00 0.02 0.02) = 0.036% HB3 GLU- 45 - HG3 ARG+ 84 3.333% * 0.0349% (0.37 1.0 1.00 0.02 0.02) = 0.035% HG3 GLU- 10 - HG3 ARG+ 84 3.333% * 0.0316% (0.34 1.0 1.00 0.02 0.02) = 0.032% HG3 GLU- 18 - HG3 ARG+ 84 3.333% * 0.0289% (0.31 1.0 1.00 0.02 3.05) = 0.029% HB2 GLU- 50 - HG3 ARG+ 84 3.333% * 0.0260% (0.28 1.0 1.00 0.02 0.02) = 0.026% HB3 ASN 15 - HG3 ARG+ 84 3.333% * 0.0260% (0.28 1.0 1.00 0.02 0.02) = 0.026% HG3 GLU- 107 - HG2 PRO 52 3.333% * 0.0224% (0.24 1.0 1.00 0.02 0.02) = 0.022% HA1 GLY 58 - HG3 ARG+ 84 3.333% * 0.0214% (0.23 1.0 1.00 0.02 0.02) = 0.021% HG3 GLU- 54 - HG2 PRO 52 3.333% * 0.0178% (0.19 1.0 1.00 0.02 8.58) = 0.018% HG3 GLU- 107 - HG3 ARG+ 84 3.333% * 0.0094% (0.10 1.0 1.00 0.02 0.02) = 0.009% HG3 GLU- 54 - HG3 ARG+ 84 3.333% * 0.0075% (0.08 1.0 1.00 0.02 0.02) = 0.007% Peak 4230 (2.23, 1.47, 27.63 ppm): 30 chemical-shift based assignments, quality = 0.915, support = 4.52, residual support = 115.7: * O HB2 PRO 52 - HG3 PRO 52 3.333% * 96.4691% (0.95 10.0 4.63 119.56) = 96.469% kept HA1 GLY 58 - HG2 PRO 59 3.333% * 1.8128% (0.12 1.0 2.97 17.89) = 1.813% kept HG2 PRO 112 - HG3 PRO 52 3.333% * 0.6254% (1.00 1.0 0.12 0.02) = 0.625% HG3 GLU- 109 - HG3 PRO 52 3.333% * 0.0965% (0.95 1.0 0.02 0.02) = 0.096% HB3 GLU- 45 - HG3 PRO 52 3.333% * 0.0941% (0.92 1.0 0.02 0.02) = 0.094% HG3 GLN 102 - HG3 PRO 52 3.333% * 0.0885% (0.87 1.0 0.02 0.02) = 0.088% HG3 GLN 16 - HG3 PRO 52 3.333% * 0.0885% (0.87 1.0 0.02 0.12) = 0.088% HG3 GLU- 10 - HG3 PRO 52 3.333% * 0.0852% (0.84 1.0 0.02 0.02) = 0.085% HG3 GLU- 18 - HG3 PRO 52 3.333% * 0.0779% (0.76 1.0 0.02 0.02) = 0.078% HB2 GLU- 50 - HG3 PRO 52 3.333% * 0.0701% (0.69 1.0 0.02 0.30) = 0.070% HB3 ASN 15 - HG3 PRO 52 3.333% * 0.0701% (0.69 1.0 0.02 0.02) = 0.070% HA1 GLY 58 - HG3 PRO 52 3.333% * 0.0577% (0.57 1.0 0.02 0.02) = 0.058% HG3 MET 97 - HG3 PRO 52 3.333% * 0.0577% (0.57 1.0 0.02 0.02) = 0.058% HG3 MET 126 - HG3 PRO 52 3.333% * 0.0457% (0.45 1.0 0.02 0.02) = 0.046% HG3 GLU- 107 - HG3 PRO 52 3.333% * 0.0254% (0.25 1.0 0.02 0.02) = 0.025% HG2 PRO 112 - HG2 PRO 59 3.333% * 0.0215% (0.21 1.0 0.02 0.02) = 0.022% HG3 GLU- 109 - HG2 PRO 59 3.333% * 0.0204% (0.20 1.0 0.02 0.02) = 0.020% HB2 PRO 52 - HG2 PRO 59 3.333% * 0.0204% (0.20 1.0 0.02 0.02) = 0.020% HG3 GLU- 54 - HG3 PRO 52 3.333% * 0.0202% (0.20 1.0 0.02 8.58) = 0.020% HB3 GLU- 45 - HG2 PRO 59 3.333% * 0.0199% (0.20 1.0 0.02 0.02) = 0.020% HG3 GLN 102 - HG2 PRO 59 3.333% * 0.0187% (0.18 1.0 0.02 0.02) = 0.019% HG3 GLN 16 - HG2 PRO 59 3.333% * 0.0187% (0.18 1.0 0.02 0.55) = 0.019% HG3 GLU- 10 - HG2 PRO 59 3.333% * 0.0180% (0.18 1.0 0.02 0.02) = 0.018% HG3 GLU- 18 - HG2 PRO 59 3.333% * 0.0165% (0.16 1.0 0.02 0.02) = 0.016% HB2 GLU- 50 - HG2 PRO 59 3.333% * 0.0148% (0.15 1.0 0.02 0.81) = 0.015% HB3 ASN 15 - HG2 PRO 59 3.333% * 0.0148% (0.15 1.0 0.02 0.02) = 0.015% HG3 MET 97 - HG2 PRO 59 3.333% * 0.0122% (0.12 1.0 0.02 0.02) = 0.012% HG3 MET 126 - HG2 PRO 59 3.333% * 0.0097% (0.09 1.0 0.02 0.02) = 0.010% HG3 GLU- 107 - HG2 PRO 59 3.333% * 0.0054% (0.05 1.0 0.02 0.02) = 0.005% HG3 GLU- 54 - HG2 PRO 59 3.333% * 0.0043% (0.04 1.0 0.02 0.02) = 0.004% Peak 4231 (0.83, 3.27, 50.25 ppm): 8 chemical-shift based assignments, quality = 0.599, support = 3.0, residual support = 5.8: * T QD1 ILE 29 - HD2 PRO 52 12.500% * 45.8623% (0.62 10.00 2.60 3.62) = 45.862% kept T QG1 VAL 13 - HD2 PRO 52 12.500% * 45.8623% (0.62 10.00 3.71 8.43) = 45.862% kept QD2 LEU 17 - HD2 PRO 52 12.500% * 3.8368% (0.57 1.00 1.82 2.64) = 3.837% kept QG2 VAL 13 - HD2 PRO 52 12.500% * 2.0856% (0.32 1.00 1.77 8.43) = 2.086% kept QG1 VAL 94 - HD2 PRO 52 12.500% * 0.8267% (0.65 1.00 0.34 0.02) = 0.827% QD2 LEU 67 - HD2 PRO 52 12.500% * 0.7524% (0.32 1.00 0.64 0.14) = 0.752% HG2 LYS+ 117 - HD2 PRO 52 12.500% * 0.7370% (0.50 1.00 0.40 0.02) = 0.737% QD2 LEU 90 - HD2 PRO 52 12.500% * 0.0371% (0.50 1.00 0.02 2.38) = 0.037% Peak 4234 (3.30, 1.47, 27.63 ppm): 8 chemical-shift based assignments, quality = 0.662, support = 4.43, residual support = 112.2: * O T HD2 PRO 52 - HG3 PRO 52 12.500% * 92.8140% (0.69 10.0 10.00 4.61 119.56) = 92.814% kept HD3 ARG+ 53 - HG3 PRO 52 12.500% * 5.1617% (0.28 1.0 1.00 2.75 23.27) = 5.162% kept HD3 ARG+ 22 - HG3 PRO 52 12.500% * 1.7294% (0.61 1.0 1.00 0.42 0.02) = 1.729% kept T HD2 PRO 52 - HG2 PRO 59 12.500% * 0.1962% (0.15 1.0 10.00 0.02 0.02) = 0.196% HE3 LYS+ 63 - HG3 PRO 52 12.500% * 0.0606% (0.45 1.0 1.00 0.02 1.23) = 0.061% HD3 ARG+ 22 - HG2 PRO 59 12.500% * 0.0173% (0.13 1.0 1.00 0.02 0.02) = 0.017% HE3 LYS+ 63 - HG2 PRO 59 12.500% * 0.0128% (0.09 1.0 1.00 0.02 0.02) = 0.013% HD3 ARG+ 53 - HG2 PRO 59 12.500% * 0.0079% (0.06 1.0 1.00 0.02 0.02) = 0.008% Peak 4235 (0.29, 1.47, 27.63 ppm): 4 chemical-shift based assignments, quality = 0.992, support = 1.19, residual support = 1.6: * QD2 LEU 23 - HG3 PRO 52 25.000% * 50.8077% (0.99 1.22 1.63) = 50.808% kept QG1 VAL 122 - HG3 PRO 52 25.000% * 48.8382% (1.00 1.16 1.58) = 48.838% kept QG1 VAL 122 - HG2 PRO 59 25.000% * 0.1778% (0.21 0.02 0.02) = 0.178% QD2 LEU 23 - HG2 PRO 59 25.000% * 0.1763% (0.21 0.02 0.02) = 0.176% Peak 4236 (2.23, 2.23, 31.94 ppm): 1 diagonal assignment: * HB2 PRO 52 - HB2 PRO 52 (0.87) kept Peak 4237 (3.29, 2.23, 31.94 ppm): 8 chemical-shift based assignments, quality = 0.839, support = 4.89, residual support = 104.4: * O T HD2 PRO 52 - HB2 PRO 52 12.500% * 85.0618% (0.87 10.0 10.00 5.25 119.56) = 85.062% kept HD3 ARG+ 53 - HB2 PRO 52 12.500% * 11.4302% (0.66 1.0 1.00 3.52 23.27) = 11.430% kept HD3 ARG+ 22 - HB2 PRO 52 12.500% * 2.7887% (0.86 1.0 1.00 0.66 0.02) = 2.789% kept HE3 LYS+ 63 - HB2 PRO 52 12.500% * 0.6738% (0.80 1.0 1.00 0.17 1.23) = 0.674% HD2 PRO 52 - HB VAL 80 12.500% * 0.0124% (0.13 1.0 1.00 0.02 0.02) = 0.012% HD3 ARG+ 22 - HB VAL 80 12.500% * 0.0123% (0.13 1.0 1.00 0.02 0.02) = 0.012% HE3 LYS+ 63 - HB VAL 80 12.500% * 0.0114% (0.12 1.0 1.00 0.02 0.02) = 0.011% HD3 ARG+ 53 - HB VAL 80 12.500% * 0.0095% (0.10 1.0 1.00 0.02 0.02) = 0.009% Peak 4238 (3.31, 1.61, 31.96 ppm): 2 chemical-shift based assignments, quality = 0.203, support = 5.96, residual support = 114.6: * O HD2 PRO 52 - HB3 PRO 52 50.000% * 95.8812% (0.20 10.0 6.17 119.56) = 95.881% kept HD3 ARG+ 22 - HB3 PRO 52 50.000% * 4.1188% (0.16 1.0 1.08 0.02) = 4.119% kept Peak 4239 (2.23, 3.27, 50.25 ppm): 14 chemical-shift based assignments, quality = 0.643, support = 5.04, residual support = 114.4: * O T HB2 PRO 52 - HD2 PRO 52 7.143% * 95.7160% (0.66 10.0 10.00 5.25 119.56) = 95.716% kept HB2 GLU- 50 - HD2 PRO 52 7.143% * 2.2363% (0.57 1.0 1.00 0.54 0.30) = 2.236% kept HA1 GLY 58 - HD2 PRO 52 7.143% * 0.7869% (0.50 1.0 1.00 0.22 0.02) = 0.787% HG2 PRO 112 - HD2 PRO 52 7.143% * 0.5876% (0.66 1.0 1.00 0.12 0.02) = 0.588% HG3 GLU- 109 - HD2 PRO 52 7.143% * 0.0957% (0.66 1.0 1.00 0.02 0.02) = 0.096% HG3 GLN 102 - HD2 PRO 52 7.143% * 0.0938% (0.64 1.0 1.00 0.02 0.02) = 0.094% HG3 GLU- 18 - HD2 PRO 52 7.143% * 0.0884% (0.61 1.0 1.00 0.02 0.02) = 0.088% HG3 MET 97 - HD2 PRO 52 7.143% * 0.0731% (0.50 1.0 1.00 0.02 0.02) = 0.073% HB3 GLU- 45 - HD2 PRO 52 7.143% * 0.0731% (0.50 1.0 1.00 0.02 0.02) = 0.073% HG3 GLN 16 - HD2 PRO 52 7.143% * 0.0657% (0.45 1.0 1.00 0.02 0.12) = 0.066% HG3 MET 126 - HD2 PRO 52 7.143% * 0.0619% (0.43 1.0 1.00 0.02 0.02) = 0.062% HG3 GLU- 10 - HD2 PRO 52 7.143% * 0.0619% (0.43 1.0 1.00 0.02 0.02) = 0.062% HB3 ASN 15 - HD2 PRO 52 7.143% * 0.0466% (0.32 1.0 1.00 0.02 0.02) = 0.047% HG3 GLU- 107 - HD2 PRO 52 7.143% * 0.0130% (0.09 1.0 1.00 0.02 0.02) = 0.013% Peak 4240 (1.20, 1.60, 31.96 ppm): 4 chemical-shift based assignments, quality = 0.409, support = 0.095, residual support = 0.198: HB2 LEU 67 - HB3 PRO 52 25.000% * 37.1145% (0.63 1.00 0.10 0.14) = 37.115% kept T HB2 LEU 74 - HB3 PRO 52 25.000% * 29.6954% (0.25 10.00 0.02 0.48) = 29.695% kept HG12 ILE 100 - HB3 PRO 52 25.000% * 27.3546% (0.25 1.00 0.18 0.02) = 27.355% kept HB3 ARG+ 22 - HB3 PRO 52 25.000% * 5.8355% (0.50 1.00 0.02 0.02) = 5.836% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 4241 (7.82, 1.61, 31.96 ppm): 3 chemical-shift based assignments, quality = 0.651, support = 1.55, residual support = 1.93: * HN LYS+ 55 - HB3 PRO 52 33.333% * 54.7739% (0.56 1.94 2.54) = 54.774% kept HN LYS+ 63 - HB3 PRO 52 33.333% * 43.4414% (0.78 1.12 1.23) = 43.441% kept HN ALA 93 - HB3 PRO 52 33.333% * 1.7847% (0.28 0.13 0.02) = 1.785% kept Peak 4242 (8.45, 1.61, 31.96 ppm): 7 chemical-shift based assignments, quality = 0.435, support = 5.1, residual support = 22.5: * O HN ARG+ 53 - HB3 PRO 52 14.286% * 96.5265% (0.43 10.0 5.28 23.27) = 96.527% kept HN LEU 74 - HB3 PRO 52 14.286% * 1.6487% (0.82 1.0 0.18 0.48) = 1.649% kept HN GLY 92 - HB3 PRO 52 14.286% * 1.5745% (0.31 1.0 0.46 0.02) = 1.575% kept HN GLU- 107 - HB3 PRO 52 14.286% * 0.1113% (0.50 1.0 0.02 0.02) = 0.111% HN CYS 123 - HB3 PRO 52 14.286% * 0.0893% (0.40 1.0 0.02 0.02) = 0.089% HN LYS+ 117 - HB3 PRO 52 14.286% * 0.0248% (0.11 1.0 0.02 0.02) = 0.025% HN LYS+ 113 - HB3 PRO 52 14.286% * 0.0248% (0.11 1.0 0.02 0.02) = 0.025% Peak 4243 (7.82, 2.23, 31.94 ppm): 6 chemical-shift based assignments, quality = 0.681, support = 1.68, residual support = 1.95: HN LYS+ 55 - HB2 PRO 52 16.667% * 56.6828% (0.60 2.13 2.54) = 56.683% kept HN LYS+ 63 - HB2 PRO 52 16.667% * 41.4633% (0.82 1.13 1.23) = 41.463% kept HN LYS+ 63 - HB VAL 80 16.667% * 1.4740% (0.12 0.28 0.02) = 1.474% kept HN ALA 93 - HB2 PRO 52 16.667% * 0.2639% (0.30 0.02 0.02) = 0.264% HN LYS+ 55 - HB VAL 80 16.667% * 0.0774% (0.09 0.02 0.02) = 0.077% HN ALA 93 - HB VAL 80 16.667% * 0.0384% (0.04 0.02 0.02) = 0.038% Peak 4244 (8.45, 2.23, 31.94 ppm): 14 chemical-shift based assignments, quality = 0.459, support = 5.5, residual support = 22.6: * O HN ARG+ 53 - HB2 PRO 52 7.143% * 97.2404% (0.46 10.0 5.65 23.27) = 97.240% kept HN LEU 74 - HB2 PRO 52 7.143% * 1.6609% (0.87 1.0 0.18 0.48) = 1.661% kept HN CYS 123 - HB2 PRO 52 7.143% * 0.7793% (0.42 1.0 0.17 0.02) = 0.779% HN GLU- 107 - HB2 PRO 52 7.143% * 0.1121% (0.53 1.0 0.02 0.02) = 0.112% HN GLY 92 - HB2 PRO 52 7.143% * 0.0694% (0.33 1.0 0.02 0.02) = 0.069% HN LEU 74 - HB VAL 80 7.143% * 0.0269% (0.13 1.0 0.02 0.02) = 0.027% HN LYS+ 113 - HB2 PRO 52 7.143% * 0.0250% (0.12 1.0 0.02 0.02) = 0.025% HN LYS+ 117 - HB2 PRO 52 7.143% * 0.0250% (0.12 1.0 0.02 0.02) = 0.025% HN GLU- 107 - HB VAL 80 7.143% * 0.0163% (0.08 1.0 0.02 0.02) = 0.016% HN ARG+ 53 - HB VAL 80 7.143% * 0.0142% (0.07 1.0 0.02 0.02) = 0.014% HN CYS 123 - HB VAL 80 7.143% * 0.0131% (0.06 1.0 0.02 0.02) = 0.013% HN GLY 92 - HB VAL 80 7.143% * 0.0101% (0.05 1.0 0.02 0.02) = 0.010% HN LYS+ 113 - HB VAL 80 7.143% * 0.0036% (0.02 1.0 0.02 0.02) = 0.004% HN LYS+ 117 - HB VAL 80 7.143% * 0.0036% (0.02 1.0 0.02 0.10) = 0.004% Peak 4245 (9.07, 1.61, 31.96 ppm): 2 chemical-shift based assignments, quality = 0.814, support = 4.23, residual support = 7.51: * HN GLU- 54 - HB3 PRO 52 50.000% * 87.3382% (0.81 4.74 8.58) = 87.338% kept HN LYS+ 66 - HB3 PRO 52 50.000% * 12.6618% (0.82 0.68 0.12) = 12.662% kept Peak 4246 (7.77, 1.95, 32.81 ppm): 30 chemical-shift based assignments, quality = 0.451, support = 1.74, residual support = 2.46: * HN ALA 37 - HB2 PRO 35 3.333% * 50.7127% (0.49 2.59 4.45) = 50.713% kept HN VAL 125 - HB2 PRO 35 3.333% * 21.5053% (0.45 1.19 0.55) = 21.505% kept HN SER 124 - HB2 PRO 35 3.333% * 17.7962% (0.53 0.84 0.47) = 17.796% kept HN ALA 37 - HB VAL 13 3.333% * 4.6394% (0.29 0.39 0.02) = 4.639% kept HN THR 46 - HB2 PRO 35 3.333% * 0.5532% (0.69 0.02 0.02) = 0.553% HN VAL 87 - HB2 PRO 35 3.333% * 0.5210% (0.65 0.02 0.02) = 0.521% HN THR 46 - HB3 LYS+ 55 3.333% * 0.5204% (0.65 0.02 0.02) = 0.520% HN VAL 87 - HB3 LYS+ 55 3.333% * 0.4901% (0.61 0.02 0.02) = 0.490% HN SER 124 - HB3 LYS+ 55 3.333% * 0.3986% (0.49 0.02 0.02) = 0.399% HN ALA 37 - HB3 LYS+ 55 3.333% * 0.3687% (0.46 0.02 0.02) = 0.369% HN VAL 125 - HB3 LYS+ 55 3.333% * 0.3396% (0.42 0.02 0.02) = 0.340% HN THR 46 - HB VAL 13 3.333% * 0.3351% (0.42 0.02 0.02) = 0.335% HN VAL 87 - HB VAL 13 3.333% * 0.3156% (0.39 0.02 0.02) = 0.316% HN SER 124 - HB VAL 13 3.333% * 0.2567% (0.32 0.02 0.02) = 0.257% HN VAL 125 - HB VAL 13 3.333% * 0.2187% (0.27 0.02 0.02) = 0.219% HN ALA 93 - HB2 PRO 35 3.333% * 0.1410% (0.18 0.02 0.02) = 0.141% HN ALA 93 - HB3 LYS+ 55 3.333% * 0.1327% (0.16 0.02 0.02) = 0.133% HN ALA 93 - HB VAL 13 3.333% * 0.0854% (0.11 0.02 0.02) = 0.085% HN THR 46 - HB2 GLU- 75 3.333% * 0.0823% (0.10 0.02 0.02) = 0.082% HN VAL 87 - HB2 GLU- 75 3.333% * 0.0775% (0.10 0.02 0.02) = 0.077% HN THR 46 - HB2 PRO 116 3.333% * 0.0726% (0.09 0.02 0.02) = 0.073% HN VAL 87 - HB2 PRO 116 3.333% * 0.0683% (0.08 0.02 0.02) = 0.068% HN SER 124 - HB2 GLU- 75 3.333% * 0.0630% (0.08 0.02 0.02) = 0.063% HN ALA 37 - HB2 GLU- 75 3.333% * 0.0583% (0.07 0.02 0.02) = 0.058% HN SER 124 - HB2 PRO 116 3.333% * 0.0556% (0.07 0.02 0.02) = 0.056% HN VAL 125 - HB2 GLU- 75 3.333% * 0.0537% (0.07 0.02 0.02) = 0.054% HN ALA 37 - HB2 PRO 116 3.333% * 0.0514% (0.06 0.02 0.02) = 0.051% HN VAL 125 - HB2 PRO 116 3.333% * 0.0474% (0.06 0.02 0.02) = 0.047% HN ALA 93 - HB2 GLU- 75 3.333% * 0.0210% (0.03 0.02 0.02) = 0.021% HN ALA 93 - HB2 PRO 116 3.333% * 0.0185% (0.02 0.02 0.02) = 0.019% Peak 4247 (1.95, 1.95, 32.81 ppm): 5 diagonal assignments: * HB2 PRO 35 - HB2 PRO 35 (1.00) kept HB3 LYS+ 55 - HB3 LYS+ 55 (0.87) kept HB VAL 13 - HB VAL 13 (0.58) kept HB2 GLU- 75 - HB2 GLU- 75 (0.11) kept HB2 PRO 116 - HB2 PRO 116 (0.06) kept Peak 4248 (3.86, 1.95, 32.81 ppm): 55 chemical-shift based assignments, quality = 0.241, support = 2.07, residual support = 12.3: * O HD3 PRO 35 - HB2 PRO 35 1.818% * 85.6855% (0.28 10.0 2.21 12.64) = 85.686% kept O HD2 PRO 116 - HB2 PRO 116 1.818% * 8.7433% (0.03 10.0 1.94 16.46) = 8.743% kept HB3 SER 88 - HB2 PRO 35 1.818% * 0.2915% (0.95 1.0 0.02 0.02) = 0.292% HB2 SER 85 - HB2 PRO 35 1.818% * 0.2845% (0.92 1.0 0.02 0.02) = 0.284% HA2 GLY 114 - HB2 PRO 35 1.818% * 0.2764% (0.90 1.0 0.02 0.02) = 0.276% HB3 SER 77 - HB2 PRO 35 1.818% * 0.2764% (0.90 1.0 0.02 0.02) = 0.276% HB3 SER 88 - HB3 LYS+ 55 1.818% * 0.2742% (0.89 1.0 0.02 0.02) = 0.274% HB2 SER 85 - HB3 LYS+ 55 1.818% * 0.2676% (0.87 1.0 0.02 0.02) = 0.268% HA2 GLY 114 - HB3 LYS+ 55 1.818% * 0.2600% (0.84 1.0 0.02 0.02) = 0.260% HB3 SER 77 - HB3 LYS+ 55 1.818% * 0.2600% (0.84 1.0 0.02 0.02) = 0.260% HB3 SER 27 - HB2 PRO 35 1.818% * 0.2117% (0.69 1.0 0.02 0.02) = 0.212% HA LYS+ 117 - HB2 PRO 35 1.818% * 0.1994% (0.65 1.0 0.02 0.02) = 0.199% HA GLU- 45 - HB2 PRO 35 1.818% * 0.1994% (0.65 1.0 0.02 0.02) = 0.199% HB3 SER 27 - HB3 LYS+ 55 1.818% * 0.1991% (0.65 1.0 0.02 0.02) = 0.199% HA LYS+ 117 - HB3 LYS+ 55 1.818% * 0.1875% (0.61 1.0 0.02 0.02) = 0.188% HA GLU- 45 - HB3 LYS+ 55 1.818% * 0.1875% (0.61 1.0 0.02 0.02) = 0.188% HB3 SER 88 - HB VAL 13 1.818% * 0.1766% (0.57 1.0 0.02 0.02) = 0.177% HB2 SER 85 - HB VAL 13 1.818% * 0.1723% (0.56 1.0 0.02 0.02) = 0.172% HA2 GLY 114 - HB VAL 13 1.818% * 0.1674% (0.54 1.0 0.02 0.02) = 0.167% HB3 SER 77 - HB VAL 13 1.818% * 0.1674% (0.54 1.0 0.02 0.02) = 0.167% HB3 SER 27 - HB VAL 13 1.818% * 0.1282% (0.42 1.0 0.02 0.02) = 0.128% HA LYS+ 117 - HB VAL 13 1.818% * 0.1208% (0.39 1.0 0.02 0.02) = 0.121% HA GLU- 45 - HB VAL 13 1.818% * 0.1208% (0.39 1.0 0.02 0.02) = 0.121% HD3 PRO 35 - HB3 LYS+ 55 1.818% * 0.0806% (0.26 1.0 0.02 0.02) = 0.081% HD2 PRO 116 - HB2 PRO 35 1.818% * 0.0686% (0.22 1.0 0.02 0.02) = 0.069% HD2 PRO 116 - HB3 LYS+ 55 1.818% * 0.0645% (0.21 1.0 0.02 0.02) = 0.065% HD2 PRO 86 - HB2 PRO 35 1.818% * 0.0540% (0.18 1.0 0.02 0.02) = 0.054% HD3 PRO 35 - HB VAL 13 1.818% * 0.0519% (0.17 1.0 0.02 0.02) = 0.052% HD2 PRO 86 - HB3 LYS+ 55 1.818% * 0.0508% (0.16 1.0 0.02 0.02) = 0.051% HA2 GLY 92 - HB2 PRO 35 1.818% * 0.0476% (0.15 1.0 0.02 0.02) = 0.048% HA2 GLY 92 - HB3 LYS+ 55 1.818% * 0.0447% (0.15 1.0 0.02 0.02) = 0.045% HB3 SER 88 - HB2 GLU- 75 1.818% * 0.0434% (0.14 1.0 0.02 0.02) = 0.043% HB2 SER 85 - HB2 GLU- 75 1.818% * 0.0423% (0.14 1.0 0.02 0.02) = 0.042% HD2 PRO 116 - HB VAL 13 1.818% * 0.0416% (0.13 1.0 0.02 0.02) = 0.042% HB3 SER 77 - HB2 GLU- 75 1.818% * 0.0411% (0.13 1.0 0.02 0.02) = 0.041% HA2 GLY 114 - HB2 GLU- 75 1.818% * 0.0411% (0.13 1.0 0.02 0.02) = 0.041% HB3 SER 88 - HB2 PRO 116 1.818% * 0.0382% (0.12 1.0 0.02 0.02) = 0.038% HB2 SER 85 - HB2 PRO 116 1.818% * 0.0373% (0.12 1.0 0.02 0.02) = 0.037% HB3 SER 77 - HB2 PRO 116 1.818% * 0.0363% (0.12 1.0 0.02 0.02) = 0.036% HA2 GLY 114 - HB2 PRO 116 1.818% * 0.0363% (0.12 1.0 0.02 0.48) = 0.036% HA2 GLY 92 - HB2 GLU- 75 1.818% * 0.0345% (0.02 1.0 0.10 0.02) = 0.034% HD2 PRO 86 - HB VAL 13 1.818% * 0.0327% (0.11 1.0 0.02 0.02) = 0.033% HB3 SER 27 - HB2 GLU- 75 1.818% * 0.0315% (0.10 1.0 0.02 0.02) = 0.031% HA LYS+ 117 - HB2 GLU- 75 1.818% * 0.0297% (0.10 1.0 0.02 0.02) = 0.030% HA GLU- 45 - HB2 GLU- 75 1.818% * 0.0297% (0.10 1.0 0.02 0.11) = 0.030% HA2 GLY 92 - HB VAL 13 1.818% * 0.0288% (0.09 1.0 0.02 0.02) = 0.029% HB3 SER 27 - HB2 PRO 116 1.818% * 0.0278% (0.09 1.0 0.02 0.02) = 0.028% HA LYS+ 117 - HB2 PRO 116 1.818% * 0.0262% (0.08 1.0 0.02 3.37) = 0.026% HA GLU- 45 - HB2 PRO 116 1.818% * 0.0262% (0.08 1.0 0.02 0.02) = 0.026% HD3 PRO 35 - HB2 GLU- 75 1.818% * 0.0127% (0.04 1.0 0.02 0.02) = 0.013% HD3 PRO 35 - HB2 PRO 116 1.818% * 0.0112% (0.04 1.0 0.02 0.02) = 0.011% HD2 PRO 116 - HB2 GLU- 75 1.818% * 0.0102% (0.03 1.0 0.02 0.02) = 0.010% HD2 PRO 86 - HB2 GLU- 75 1.818% * 0.0080% (0.03 1.0 0.02 0.02) = 0.008% HD2 PRO 86 - HB2 PRO 116 1.818% * 0.0071% (0.02 1.0 0.02 0.02) = 0.007% HA2 GLY 92 - HB2 PRO 116 1.818% * 0.0062% (0.02 1.0 0.02 0.02) = 0.006% Peak 4249 (8.89, 1.95, 32.81 ppm): 15 chemical-shift based assignments, quality = 0.942, support = 4.18, residual support = 16.0: * O HN ASP- 36 - HB2 PRO 35 6.667% * 99.5943% (0.95 10.0 4.20 16.09) = 99.594% kept HN ASP- 36 - HB3 LYS+ 55 6.667% * 0.0937% (0.89 1.0 0.02 0.02) = 0.094% HN ASP- 36 - HB VAL 13 6.667% * 0.0603% (0.57 1.0 0.02 0.02) = 0.060% HN GLN 102 - HB2 PRO 35 6.667% * 0.0433% (0.41 1.0 0.02 0.02) = 0.043% HN GLN 102 - HB3 LYS+ 55 6.667% * 0.0407% (0.39 1.0 0.02 0.02) = 0.041% HN ILE 68 - HB2 PRO 35 6.667% * 0.0359% (0.34 1.0 0.02 0.02) = 0.036% HN ILE 68 - HB3 LYS+ 55 6.667% * 0.0338% (0.32 1.0 0.02 0.02) = 0.034% HN GLN 102 - HB VAL 13 6.667% * 0.0262% (0.25 1.0 0.02 0.02) = 0.026% HN ILE 68 - HB VAL 13 6.667% * 0.0218% (0.21 1.0 0.02 0.02) = 0.022% HN ASP- 36 - HB2 GLU- 75 6.667% * 0.0148% (0.14 1.0 0.02 0.02) = 0.015% HN ASP- 36 - HB2 PRO 116 6.667% * 0.0131% (0.12 1.0 0.02 0.02) = 0.013% HN GLN 102 - HB2 GLU- 75 6.667% * 0.0064% (0.06 1.0 0.02 0.55) = 0.006% HN GLN 102 - HB2 PRO 116 6.667% * 0.0057% (0.05 1.0 0.02 0.02) = 0.006% HN ILE 68 - HB2 GLU- 75 6.667% * 0.0053% (0.05 1.0 0.02 0.02) = 0.005% HN ILE 68 - HB2 PRO 116 6.667% * 0.0047% (0.04 1.0 0.02 0.02) = 0.005% Peak 4250 (3.86, 2.14, 27.70 ppm): 22 chemical-shift based assignments, quality = 0.221, support = 0.597, residual support = 0.668: T HA GLU- 45 - HG2 PRO 112 4.545% * 54.5146% (0.27 10.00 0.61 0.28) = 54.515% kept T HD3 PRO 35 - HG2 PRO 112 4.545% * 29.0559% (0.11 10.00 0.76 1.75) = 29.056% kept HB3 SER 77 - HG2 PRO 112 4.545% * 4.6507% (0.37 1.00 0.38 0.02) = 4.651% kept HB2 SER 85 - HG2 PRO 112 4.545% * 3.2568% (0.38 1.00 0.26 0.02) = 3.257% kept HB3 SER 77 - HG2 PRO 104 4.545% * 1.9632% (0.18 1.00 0.32 0.02) = 1.963% kept HB2 SER 85 - HG2 PRO 104 4.545% * 1.5926% (0.19 1.00 0.25 0.02) = 1.593% kept HB3 SER 88 - HG2 PRO 112 4.545% * 1.4140% (0.39 1.00 0.11 0.02) = 1.414% kept HB3 SER 27 - HG2 PRO 104 4.545% * 1.2610% (0.14 1.00 0.27 0.15) = 1.261% kept T HD2 PRO 116 - HG2 PRO 112 4.545% * 0.6117% (0.09 10.00 0.02 0.02) = 0.612% T HD2 PRO 86 - HG2 PRO 112 4.545% * 0.4812% (0.07 10.00 0.02 0.02) = 0.481% HA2 GLY 114 - HG2 PRO 112 4.545% * 0.2464% (0.37 1.00 0.02 0.02) = 0.246% HB3 SER 27 - HG2 PRO 112 4.545% * 0.1887% (0.28 1.00 0.02 0.02) = 0.189% HA LYS+ 117 - HG2 PRO 112 4.545% * 0.1777% (0.27 1.00 0.02 0.02) = 0.178% HB3 SER 88 - HG2 PRO 104 4.545% * 0.1295% (0.19 1.00 0.02 0.02) = 0.130% HA2 GLY 114 - HG2 PRO 104 4.545% * 0.1228% (0.18 1.00 0.02 0.02) = 0.123% HA LYS+ 117 - HG2 PRO 104 4.545% * 0.0886% (0.13 1.00 0.02 0.02) = 0.089% HA GLU- 45 - HG2 PRO 104 4.545% * 0.0886% (0.13 1.00 0.02 0.02) = 0.089% HA2 GLY 92 - HG2 PRO 112 4.545% * 0.0424% (0.06 1.00 0.02 0.02) = 0.042% HD3 PRO 35 - HG2 PRO 104 4.545% * 0.0381% (0.06 1.00 0.02 0.02) = 0.038% HD2 PRO 116 - HG2 PRO 104 4.545% * 0.0305% (0.05 1.00 0.02 0.02) = 0.030% HD2 PRO 86 - HG2 PRO 104 4.545% * 0.0240% (0.04 1.00 0.02 0.02) = 0.024% HA2 GLY 92 - HG2 PRO 104 4.545% * 0.0211% (0.03 1.00 0.02 0.02) = 0.021% Peak 4251 (3.86, 3.86, 51.25 ppm): 3 diagonal assignments: * HD3 PRO 35 - HD3 PRO 35 (0.14) kept HD2 PRO 86 - HD2 PRO 86 (0.07) kept HD2 PRO 116 - HD2 PRO 116 (0.06) kept Peak 4252 (2.58, 2.07, 27.70 ppm): 1 diagonal assignment: HG2 PRO 112 - HG2 PRO 112 (0.07) kept Reference assignment not found: HB3 PRO 35 - HG3 PRO 35 Peak 4253 (2.07, 2.07, 27.70 ppm): 2 diagonal assignments: HG2 PRO 112 - HG2 PRO 112 (0.26) kept HG3 PRO 86 - HG3 PRO 86 (0.08) kept Reference assignment not found: HG3 PRO 35 - HG3 PRO 35 Peak 4254 (2.58, 3.86, 51.25 ppm): 20 chemical-shift based assignments, quality = 0.444, support = 1.74, residual support = 11.4: O T HB3 PRO 35 - HD3 PRO 35 5.000% * 89.1990% (0.49 10.0 10.00 1.83 12.64) = 89.199% kept T HG2 PRO 112 - HD3 PRO 35 5.000% * 6.4273% (0.09 1.0 10.00 0.76 1.75) = 6.427% kept HB2 PHE 34 - HD3 PRO 35 5.000% * 2.6449% (0.15 1.0 1.00 1.92 0.35) = 2.645% kept T HB3 PRO 35 - HD2 PRO 86 5.000% * 0.6878% (0.38 1.0 10.00 0.02 0.02) = 0.688% T HB3 PRO 35 - HD2 PRO 116 5.000% * 0.4751% (0.26 1.0 10.00 0.02 0.02) = 0.475% T HG2 PRO 112 - HD2 PRO 86 5.000% * 0.1303% (0.07 1.0 10.00 0.02 0.02) = 0.130% T HG2 PRO 112 - HD2 PRO 116 5.000% * 0.0900% (0.05 1.0 10.00 0.02 0.02) = 0.090% T HG2 PRO 112 - HD3 PRO 86 5.000% * 0.0687% (0.04 1.0 10.00 0.02 0.02) = 0.069% T HG2 PRO 112 - HD3 PRO 116 5.000% * 0.0494% (0.03 1.0 10.00 0.02 0.02) = 0.049% HG2 MET 118 - HD3 PRO 35 5.000% * 0.0367% (0.20 1.0 1.00 0.02 0.02) = 0.037% HB3 PRO 35 - HD3 PRO 86 5.000% * 0.0363% (0.20 1.0 1.00 0.02 0.02) = 0.036% HG2 MET 118 - HD2 PRO 86 5.000% * 0.0283% (0.15 1.0 1.00 0.02 0.02) = 0.028% HB3 PRO 35 - HD3 PRO 116 5.000% * 0.0261% (0.14 1.0 1.00 0.02 0.02) = 0.026% HB2 PHE 34 - HD2 PRO 86 5.000% * 0.0212% (0.12 1.0 1.00 0.02 0.02) = 0.021% HG2 MET 118 - HD2 PRO 116 5.000% * 0.0195% (0.11 1.0 1.00 0.02 0.02) = 0.020% HG2 MET 118 - HD3 PRO 86 5.000% * 0.0149% (0.08 1.0 1.00 0.02 0.02) = 0.015% HB2 PHE 34 - HD2 PRO 116 5.000% * 0.0147% (0.08 1.0 1.00 0.02 0.02) = 0.015% HB2 PHE 34 - HD3 PRO 86 5.000% * 0.0112% (0.06 1.0 1.00 0.02 0.02) = 0.011% HG2 MET 118 - HD3 PRO 116 5.000% * 0.0107% (0.06 1.0 1.00 0.02 0.02) = 0.011% HB2 PHE 34 - HD3 PRO 116 5.000% * 0.0080% (0.04 1.0 1.00 0.02 0.02) = 0.008% Peak 4256 (7.90, 4.29, 55.60 ppm): 2 chemical-shift based assignments, quality = 0.362, support = 3.1, residual support = 19.4: * O HN LEU 90 - HA LEU 90 50.000% * 99.8622% (0.36 10.0 3.10 19.40) = 99.862% kept HN LYS+ 44 - HA LEU 90 50.000% * 0.1378% (0.50 1.0 0.02 0.02) = 0.138% Peak 4257 (7.89, 1.62, 42.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 4258 (1.15, 1.72, 31.21 ppm): 7 chemical-shift based assignments, quality = 0.726, support = 0.709, residual support = 1.25: QB ALA 33 - HB2 GLN 16 14.286% * 41.4406% (0.90 0.89 2.54) = 41.441% kept HG3 PRO 59 - HB2 GLN 16 14.286% * 26.9773% (0.76 0.69 0.55) = 26.977% kept QG2 THR 106 - HB2 GLN 16 14.286% * 13.2597% (0.43 0.60 0.23) = 13.260% kept HB2 LEU 43 - HB2 GLN 16 14.286% * 13.1653% (0.54 0.47 0.13) = 13.165% kept HG3 LYS+ 32 - HB2 GLN 16 14.286% * 4.6294% (0.43 0.21 0.02) = 4.629% kept HD3 LYS+ 111 - HB2 GLN 16 14.286% * 0.3340% (0.32 0.02 0.02) = 0.334% HB2 LEU 74 - HB2 GLN 16 14.286% * 0.1938% (0.19 0.02 0.02) = 0.194% Peak 4259 (1.16, 1.89, 31.12 ppm): 5 chemical-shift based assignments, quality = 0.567, support = 1.01, residual support = 1.96: T QB ALA 33 - HB3 GLN 16 20.000% * 73.9918% (0.45 10.00 1.12 2.54) = 73.992% kept QG2 THR 106 - HB3 GLN 16 20.000% * 11.0654% (0.86 1.00 0.89 0.23) = 11.065% kept HG3 PRO 59 - HB3 GLN 16 20.000% * 8.4571% (0.91 1.00 0.64 0.55) = 8.457% kept HB2 LEU 43 - HB3 GLN 16 20.000% * 6.3107% (0.91 1.00 0.48 0.13) = 6.311% kept HB2 LEU 74 - HB3 GLN 16 20.000% * 0.1751% (0.60 1.00 0.02 0.02) = 0.175% Peak 4260 (8.19, 2.24, 33.89 ppm): 28 chemical-shift based assignments, quality = 0.54, support = 3.14, residual support = 40.1: * HN GLN 16 - HG3 GLN 16 3.571% * 61.8614% (0.47 4.71 63.73) = 61.861% kept HN ALA 33 - HG3 GLN 16 3.571% * 18.0124% (0.81 0.80 2.54) = 18.012% kept HN ALA 33 - HG3 GLN 102 3.571% * 11.8979% (0.75 0.57 1.77) = 11.898% kept HN VAL 94 - HG3 GLN 16 3.571% * 2.1965% (0.15 0.54 0.02) = 2.197% kept HN SER 41 - HG3 GLN 16 3.571% * 1.7808% (0.21 0.31 0.02) = 1.781% kept HN ALA 11 - HG3 GLN 16 3.571% * 1.3642% (0.26 0.19 0.02) = 1.364% kept HN GLU- 45 - HG3 GLN 16 3.571% * 0.7982% (0.31 0.09 0.02) = 0.798% HN GLN 16 - HG3 GLN 102 3.571% * 0.2452% (0.44 0.02 1.71) = 0.245% HN ALA 33 - HG3 MET 126 3.571% * 0.2386% (0.43 0.02 0.02) = 0.239% HN ALA 33 - HG3 MET 97 3.571% * 0.1646% (0.30 0.02 0.02) = 0.165% HN GLU- 45 - HG3 GLN 102 3.571% * 0.1626% (0.29 0.02 0.02) = 0.163% HN GLN 16 - HG3 MET 126 3.571% * 0.1400% (0.25 0.02 0.02) = 0.140% HN ALA 11 - HG3 GLN 102 3.571% * 0.1337% (0.24 0.02 0.02) = 0.134% HN SER 41 - HG3 GLN 102 3.571% * 0.1080% (0.20 0.02 0.02) = 0.108% HN GLN 16 - HG3 MET 97 3.571% * 0.0966% (0.17 0.02 0.96) = 0.097% HN GLU- 45 - HG3 MET 126 3.571% * 0.0928% (0.17 0.02 0.02) = 0.093% HN VAL 105 - HG3 GLN 16 3.571% * 0.0919% (0.17 0.02 0.02) = 0.092% HN VAL 105 - HG3 GLN 102 3.571% * 0.0857% (0.15 0.02 0.02) = 0.086% HN ALA 11 - HG3 MET 126 3.571% * 0.0763% (0.14 0.02 0.02) = 0.076% HN VAL 94 - HG3 GLN 102 3.571% * 0.0759% (0.14 0.02 0.02) = 0.076% HN GLU- 45 - HG3 MET 97 3.571% * 0.0640% (0.12 0.02 0.02) = 0.064% HN SER 41 - HG3 MET 126 3.571% * 0.0616% (0.11 0.02 0.02) = 0.062% HN ALA 11 - HG3 MET 97 3.571% * 0.0527% (0.10 0.02 0.02) = 0.053% HN VAL 105 - HG3 MET 126 3.571% * 0.0489% (0.09 0.02 0.02) = 0.049% HN VAL 94 - HG3 MET 126 3.571% * 0.0433% (0.08 0.02 0.02) = 0.043% HN SER 41 - HG3 MET 97 3.571% * 0.0425% (0.08 0.02 0.02) = 0.043% HN VAL 105 - HG3 MET 97 3.571% * 0.0338% (0.06 0.02 0.02) = 0.034% HN VAL 94 - HG3 MET 97 3.571% * 0.0299% (0.05 0.02 0.02) = 0.030% Peak 4261 (4.71, 2.10, 33.89 ppm): 14 chemical-shift based assignments, quality = 0.445, support = 3.9, residual support = 63.3: * O HA GLN 16 - HG2 GLN 16 7.143% * 99.3153% (0.45 10.0 3.93 63.73) = 99.315% kept HA THR 61 - HG2 GLN 16 7.143% * 0.1066% (0.48 1.0 0.02 0.02) = 0.107% HA VAL 99 - HG2 GLN 16 7.143% * 0.1066% (0.48 1.0 0.02 0.02) = 0.107% HA THR 39 - HG2 GLN 16 7.143% * 0.0993% (0.45 1.0 0.02 0.02) = 0.099% HA2 GLY 30 - HG2 GLN 16 7.143% * 0.0933% (0.42 1.0 0.02 0.02) = 0.093% HA LYS+ 20 - HG2 GLN 16 7.143% * 0.0609% (0.27 1.0 0.02 0.02) = 0.061% HA THR 61 - HB VAL 65 7.143% * 0.0363% (0.16 1.0 0.02 0.02) = 0.036% HA VAL 99 - HB VAL 65 7.143% * 0.0363% (0.16 1.0 0.02 0.02) = 0.036% HA THR 39 - HB VAL 65 7.143% * 0.0338% (0.15 1.0 0.02 0.02) = 0.034% HA GLN 16 - HB VAL 65 7.143% * 0.0338% (0.15 1.0 0.02 0.02) = 0.034% HA2 GLY 30 - HB VAL 65 7.143% * 0.0318% (0.14 1.0 0.02 0.02) = 0.032% HA LYS+ 20 - HB VAL 65 7.143% * 0.0207% (0.09 1.0 0.02 0.02) = 0.021% HA ASN 89 - HG2 GLN 16 7.143% * 0.0188% (0.09 1.0 0.02 0.02) = 0.019% HA ASN 89 - HB VAL 65 7.143% * 0.0064% (0.03 1.0 0.02 0.02) = 0.006% Peak 4264 (8.19, 2.10, 33.89 ppm): 14 chemical-shift based assignments, quality = 0.335, support = 3.45, residual support = 51.9: * HN GLN 16 - HG2 GLN 16 7.143% * 80.9877% (0.33 4.19 63.73) = 80.988% kept HN ALA 33 - HG2 GLN 16 7.143% * 9.2968% (0.57 0.28 2.54) = 9.297% kept HN VAL 94 - HG2 GLN 16 7.143% * 3.2322% (0.10 0.54 0.02) = 3.232% kept HN SER 41 - HG2 GLN 16 7.143% * 2.6205% (0.15 0.31 0.02) = 2.621% kept HN ALA 11 - HG2 GLN 16 7.143% * 2.0074% (0.18 0.19 0.02) = 2.007% kept HN GLU- 45 - HG2 GLN 16 7.143% * 1.1746% (0.22 0.09 0.02) = 1.175% kept HN ALA 33 - HB VAL 65 7.143% * 0.1855% (0.16 0.02 0.02) = 0.186% HN VAL 105 - HG2 GLN 16 7.143% * 0.1352% (0.12 0.02 0.02) = 0.135% HN GLN 16 - HB VAL 65 7.143% * 0.1088% (0.09 0.02 0.02) = 0.109% HN GLU- 45 - HB VAL 65 7.143% * 0.0722% (0.06 0.02 0.02) = 0.072% HN ALA 11 - HB VAL 65 7.143% * 0.0593% (0.05 0.02 0.02) = 0.059% HN SER 41 - HB VAL 65 7.143% * 0.0479% (0.04 0.02 0.02) = 0.048% HN VAL 105 - HB VAL 65 7.143% * 0.0380% (0.03 0.02 0.02) = 0.038% HN VAL 94 - HB VAL 65 7.143% * 0.0337% (0.03 0.02 0.02) = 0.034% Peak 4265 (2.09, 2.10, 33.89 ppm): 2 diagonal assignments: * HG2 GLN 16 - HG2 GLN 16 (0.39) kept HB VAL 65 - HB VAL 65 (0.14) kept Peak 4266 (1.89, 2.24, 33.79 ppm): 44 chemical-shift based assignments, quality = 0.822, support = 3.12, residual support = 53.8: * O HB3 GLN 16 - HG3 GLN 16 2.273% * 74.5393% (0.99 10.0 3.25 63.73) = 74.539% kept O HB3 GLN 102 - HG3 GLN 102 2.273% * 22.8248% (0.30 10.0 3.00 27.62) = 22.825% kept HG2 GLU- 18 - HG3 GLN 102 2.273% * 1.6665% (0.62 1.0 0.71 0.77) = 1.666% kept HG2 GLU- 18 - HG3 GLN 16 2.273% * 0.0745% (0.99 1.0 0.02 1.50) = 0.075% HB3 CYS 123 - HG3 GLN 16 2.273% * 0.0670% (0.89 1.0 0.02 0.02) = 0.067% HB3 ARG+ 53 - HG3 GLN 16 2.273% * 0.0571% (0.76 1.0 0.02 0.02) = 0.057% HG3 LYS+ 120 - HG3 GLN 16 2.273% * 0.0571% (0.76 1.0 0.02 0.02) = 0.057% HB2 PRO 112 - HG3 GLN 16 2.273% * 0.0524% (0.70 1.0 0.02 0.02) = 0.052% HB3 GLN 16 - HG3 GLN 102 2.273% * 0.0468% (0.62 1.0 0.02 1.71) = 0.047% HB3 CYS 123 - HG3 GLN 102 2.273% * 0.0421% (0.56 1.0 0.02 0.02) = 0.042% HD3 PRO 52 - HG3 GLN 16 2.273% * 0.0393% (0.52 1.0 0.02 0.12) = 0.039% HB3 GLN 102 - HG3 GLN 16 2.273% * 0.0364% (0.49 1.0 0.02 1.71) = 0.036% HB3 ARG+ 84 - HG3 GLN 16 2.273% * 0.0364% (0.49 1.0 0.02 0.02) = 0.036% HB3 ARG+ 53 - HG3 GLN 102 2.273% * 0.0358% (0.48 1.0 0.02 0.02) = 0.036% HG3 LYS+ 120 - HG3 GLN 102 2.273% * 0.0358% (0.48 1.0 0.02 0.02) = 0.036% HB2 PRO 112 - HG3 GLN 102 2.273% * 0.0329% (0.44 1.0 0.02 0.02) = 0.033% HD3 PRO 52 - HG3 GLN 102 2.273% * 0.0247% (0.33 1.0 0.02 0.02) = 0.025% HD3 LYS+ 63 - HG3 GLN 16 2.273% * 0.0231% (0.31 1.0 0.02 0.02) = 0.023% HG2 GLU- 18 - HG3 MET 126 2.273% * 0.0229% (0.31 1.0 0.02 0.02) = 0.023% HB3 GLN 16 - HG3 MET 126 2.273% * 0.0229% (0.31 1.0 0.02 0.02) = 0.023% HB3 ARG+ 84 - HG3 GLN 102 2.273% * 0.0228% (0.30 1.0 0.02 0.02) = 0.023% HB3 CYS 123 - HG3 MET 126 2.273% * 0.0206% (0.28 1.0 0.02 0.02) = 0.021% HG2 PRO 112 - HG3 GLN 16 2.273% * 0.0187% (0.25 1.0 0.02 0.02) = 0.019% HB3 ARG+ 53 - HG3 MET 126 2.273% * 0.0176% (0.23 1.0 0.02 0.02) = 0.018% HG3 LYS+ 120 - HG3 MET 126 2.273% * 0.0176% (0.23 1.0 0.02 0.02) = 0.018% HB2 PRO 112 - HG3 MET 126 2.273% * 0.0161% (0.22 1.0 0.02 0.02) = 0.016% HD3 LYS+ 63 - HG3 GLN 102 2.273% * 0.0145% (0.19 1.0 0.02 0.02) = 0.014% HD3 PRO 52 - HG3 MET 126 2.273% * 0.0121% (0.16 1.0 0.02 0.02) = 0.012% HG2 PRO 112 - HG3 GLN 102 2.273% * 0.0118% (0.16 1.0 0.02 0.02) = 0.012% HB3 GLN 102 - HG3 MET 126 2.273% * 0.0112% (0.15 1.0 0.02 0.02) = 0.011% HB3 ARG+ 84 - HG3 MET 126 2.273% * 0.0112% (0.15 1.0 0.02 0.02) = 0.011% HG2 GLU- 18 - HG3 MET 97 2.273% * 0.0104% (0.14 1.0 0.02 0.02) = 0.010% HB3 GLN 16 - HG3 MET 97 2.273% * 0.0104% (0.14 1.0 0.02 0.96) = 0.010% HB3 CYS 123 - HG3 MET 97 2.273% * 0.0094% (0.13 1.0 0.02 0.02) = 0.009% HB3 ARG+ 53 - HG3 MET 97 2.273% * 0.0080% (0.11 1.0 0.02 0.02) = 0.008% HG3 LYS+ 120 - HG3 MET 97 2.273% * 0.0080% (0.11 1.0 0.02 0.02) = 0.008% HB2 PRO 112 - HG3 MET 97 2.273% * 0.0073% (0.10 1.0 0.02 0.02) = 0.007% HD3 LYS+ 63 - HG3 MET 126 2.273% * 0.0071% (0.09 1.0 0.02 0.02) = 0.007% HG2 PRO 112 - HG3 MET 126 2.273% * 0.0058% (0.08 1.0 0.02 0.02) = 0.006% HD3 PRO 52 - HG3 MET 97 2.273% * 0.0055% (0.07 1.0 0.02 0.02) = 0.006% HB3 ARG+ 84 - HG3 MET 97 2.273% * 0.0051% (0.07 1.0 0.02 0.02) = 0.005% HB3 GLN 102 - HG3 MET 97 2.273% * 0.0051% (0.07 1.0 0.02 0.02) = 0.005% HD3 LYS+ 63 - HG3 MET 97 2.273% * 0.0032% (0.04 1.0 0.02 0.02) = 0.003% HG2 PRO 112 - HG3 MET 97 2.273% * 0.0026% (0.04 1.0 0.02 0.02) = 0.003% Peak 4267 (1.69, 2.24, 33.79 ppm): 36 chemical-shift based assignments, quality = 0.4, support = 1.88, residual support = 28.1: * O HB2 GLN 16 - HG3 GLN 16 2.778% * 41.7398% (0.20 10.0 1.00 3.42 63.73) = 41.740% kept T HG2 PRO 52 - HG3 GLN 16 2.778% * 21.5710% (1.00 1.0 10.00 0.20 0.12) = 21.571% kept O HB3 MET 126 - HG3 MET 126 2.778% * 12.1796% (0.12 10.0 1.00 1.00 0.68) = 12.180% kept O T HB3 MET 97 - HG3 MET 97 2.778% * 9.1204% (0.04 10.0 10.00 2.38 12.71) = 9.120% kept HG13 ILE 19 - HG3 GLN 16 2.778% * 7.8089% (0.96 1.0 1.00 0.77 1.50) = 7.809% kept T HG2 PRO 52 - HG3 GLN 102 2.778% * 1.3239% (0.63 1.0 10.00 0.02 0.02) = 1.324% kept HG13 ILE 19 - HG3 MET 97 2.778% * 1.2076% (0.13 1.0 1.00 0.85 8.12) = 1.208% kept HG13 ILE 19 - HG3 MET 126 2.778% * 0.9451% (0.30 1.0 1.00 0.30 0.02) = 0.945% T HB3 MET 97 - HG3 GLN 16 2.778% * 0.6510% (0.31 1.0 10.00 0.02 0.96) = 0.651% T HG2 PRO 52 - HG3 MET 126 2.778% * 0.6490% (0.31 1.0 10.00 0.02 0.02) = 0.649% T HB3 LYS+ 66 - HG3 GLN 16 2.778% * 0.4174% (0.20 1.0 10.00 0.02 0.02) = 0.417% T HB3 MET 97 - HG3 GLN 102 2.778% * 0.4086% (0.19 1.0 10.00 0.02 0.02) = 0.409% T HG2 PRO 52 - HG3 MET 97 2.778% * 0.2955% (0.14 1.0 10.00 0.02 0.02) = 0.295% T HB3 LYS+ 66 - HG3 GLN 102 2.778% * 0.2620% (0.12 1.0 10.00 0.02 0.02) = 0.262% T HB3 MET 97 - HG3 MET 126 2.778% * 0.2003% (0.09 1.0 10.00 0.02 0.02) = 0.200% HD3 LYS+ 55 - HG3 GLN 16 2.778% * 0.1892% (0.89 1.0 1.00 0.02 0.02) = 0.189% T HB3 LYS+ 66 - HG3 MET 126 2.778% * 0.1284% (0.06 1.0 10.00 0.02 0.02) = 0.128% HG13 ILE 19 - HG3 GLN 102 2.778% * 0.1278% (0.60 1.0 1.00 0.02 0.02) = 0.128% HD3 LYS+ 55 - HG3 GLN 102 2.778% * 0.1187% (0.56 1.0 1.00 0.02 0.02) = 0.119% HB3 LYS+ 81 - HG3 GLN 16 2.778% * 0.1110% (0.52 1.0 1.00 0.02 0.02) = 0.111% HB3 MET 126 - HG3 GLN 16 2.778% * 0.0792% (0.37 1.0 1.00 0.02 0.02) = 0.079% HB3 LYS+ 81 - HG3 GLN 102 2.778% * 0.0697% (0.33 1.0 1.00 0.02 0.02) = 0.070% T HB3 LYS+ 66 - HG3 MET 97 2.778% * 0.0585% (0.03 1.0 10.00 0.02 0.02) = 0.058% HD3 LYS+ 55 - HG3 MET 126 2.778% * 0.0582% (0.28 1.0 1.00 0.02 0.02) = 0.058% HB3 MET 126 - HG3 GLN 102 2.778% * 0.0497% (0.23 1.0 1.00 0.02 0.02) = 0.050% HB ILE 100 - HG3 GLN 16 2.778% * 0.0470% (0.22 1.0 1.00 0.02 0.02) = 0.047% HB3 LYS+ 81 - HG3 MET 126 2.778% * 0.0341% (0.16 1.0 1.00 0.02 0.02) = 0.034% HB ILE 100 - HG3 GLN 102 2.778% * 0.0295% (0.14 1.0 1.00 0.02 0.14) = 0.029% HD3 LYS+ 55 - HG3 MET 97 2.778% * 0.0265% (0.13 1.0 1.00 0.02 0.02) = 0.027% HB2 GLN 16 - HG3 GLN 102 2.778% * 0.0262% (0.12 1.0 1.00 0.02 1.71) = 0.026% HB3 LYS+ 81 - HG3 MET 97 2.778% * 0.0155% (0.07 1.0 1.00 0.02 0.02) = 0.016% HB ILE 100 - HG3 MET 126 2.778% * 0.0144% (0.07 1.0 1.00 0.02 0.02) = 0.014% HB2 GLN 16 - HG3 MET 126 2.778% * 0.0128% (0.06 1.0 1.00 0.02 0.02) = 0.013% HB3 MET 126 - HG3 MET 97 2.778% * 0.0111% (0.05 1.0 1.00 0.02 0.02) = 0.011% HB ILE 100 - HG3 MET 97 2.778% * 0.0066% (0.03 1.0 1.00 0.02 0.02) = 0.007% HB2 GLN 16 - HG3 MET 97 2.778% * 0.0058% (0.03 1.0 1.00 0.02 0.96) = 0.006% Peak 4268 (8.22, 1.14, 19.89 ppm): 10 chemical-shift based assignments, quality = 0.255, support = 0.901, residual support = 0.214: HN SER 49 - QB ALA 33 10.000% * 64.6778% (0.28 1.23 0.32) = 64.678% kept HN LYS+ 81 - QB ALA 33 10.000% * 16.7835% (0.20 0.44 0.02) = 16.784% kept HN GLY 58 - QB ALA 33 10.000% * 11.1684% (0.24 0.25 0.02) = 11.168% kept HN LEU 67 - QB ALA 33 10.000% * 2.8973% (0.20 0.08 0.02) = 2.897% kept HN VAL 94 - QB ALA 33 10.000% * 1.0508% (0.28 0.02 0.02) = 1.051% kept HN VAL 105 - QB ALA 33 10.000% * 1.0163% (0.27 0.02 0.02) = 1.016% kept HN ALA 11 - QB ALA 33 10.000% * 0.8508% (0.23 0.02 0.02) = 0.851% HN GLU- 45 - QB ALA 33 10.000% * 0.7579% (0.20 0.02 0.02) = 0.758% HN GLU- 12 - QB ALA 33 10.000% * 0.6164% (0.17 0.02 0.02) = 0.616% HN THR 106 - QB ALA 33 10.000% * 0.1808% (0.05 0.02 0.02) = 0.181% Reference assignment not found: HN GLN 16 - QB ALA 33 Peak 4269 (4.33, 4.28, 55.45 ppm): 3 chemical-shift based assignments, quality = 0.603, support = 0.0877, residual support = 0.106: HA ALA 93 - HA LEU 90 33.333% * 68.3294% (0.76 1.00 0.12 0.15) = 68.329% kept T HA ASP- 36 - HA LEU 90 33.333% * 23.1692% (0.15 10.00 0.02 0.02) = 23.169% kept HA ILE 29 - HA LEU 90 33.333% * 8.5015% (0.56 1.00 0.02 0.02) = 8.501% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 4270 (3.86, 1.98, 32.16 ppm): 40 chemical-shift based assignments, quality = 0.511, support = 2.9, residual support = 14.6: O HD2 PRO 86 - HB2 PRO 86 2.500% * 61.5510% (0.25 10.0 1.00 3.69 22.64) = 61.551% kept HB2 SER 85 - HB2 PRO 86 2.500% * 25.3970% (0.98 1.0 1.00 2.10 2.67) = 25.397% kept HB3 SER 88 - HB2 PRO 86 2.500% * 11.0052% (0.99 1.0 1.00 0.90 0.02) = 11.005% kept HA2 GLY 114 - HB2 PRO 86 2.500% * 0.2382% (0.96 1.0 1.00 0.02 0.02) = 0.238% HB3 SER 77 - HB2 PRO 86 2.500% * 0.2382% (0.96 1.0 1.00 0.02 0.02) = 0.238% HB3 SER 27 - HB2 PRO 86 2.500% * 0.1977% (0.80 1.0 1.00 0.02 0.02) = 0.198% HA GLU- 45 - HB2 PRO 86 2.500% * 0.1886% (0.76 1.0 1.00 0.02 0.02) = 0.189% T HA GLU- 45 - HB3 GLU- 75 2.500% * 0.1621% (0.07 1.0 10.00 0.02 0.11) = 0.162% HA LYS+ 117 - HB2 PRO 86 2.500% * 0.1299% (0.53 1.0 1.00 0.02 0.02) = 0.130% HD3 PRO 35 - HB2 PRO 86 2.500% * 0.0926% (0.38 1.0 1.00 0.02 0.02) = 0.093% T HD3 PRO 35 - HB3 GLU- 75 2.500% * 0.0796% (0.03 1.0 10.00 0.02 0.02) = 0.080% HD2 PRO 116 - HB2 PRO 86 2.500% * 0.0762% (0.31 1.0 1.00 0.02 0.02) = 0.076% T HD2 PRO 116 - HB3 GLU- 75 2.500% * 0.0655% (0.03 1.0 10.00 0.02 0.02) = 0.065% T HD2 PRO 86 - HB3 GLU- 75 2.500% * 0.0529% (0.02 1.0 10.00 0.02 0.02) = 0.053% HB3 SER 88 - HB VAL 73 2.500% * 0.0369% (0.15 1.0 1.00 0.02 0.02) = 0.037% HB2 SER 85 - HB VAL 73 2.500% * 0.0365% (0.15 1.0 1.00 0.02 0.02) = 0.036% HA2 GLY 114 - HB VAL 73 2.500% * 0.0359% (0.15 1.0 1.00 0.02 0.02) = 0.036% HB3 SER 77 - HB VAL 73 2.500% * 0.0359% (0.15 1.0 1.00 0.02 0.02) = 0.036% HB3 SER 27 - HB VAL 73 2.500% * 0.0298% (0.12 1.0 1.00 0.02 0.02) = 0.030% HA GLU- 45 - HB VAL 73 2.500% * 0.0284% (0.12 1.0 1.00 0.02 1.63) = 0.028% HB3 SER 88 - HB2 GLU- 75 2.500% * 0.0224% (0.09 1.0 1.00 0.02 0.02) = 0.022% HB2 SER 85 - HB2 GLU- 75 2.500% * 0.0222% (0.09 1.0 1.00 0.02 0.02) = 0.022% HB3 SER 77 - HB2 GLU- 75 2.500% * 0.0218% (0.09 1.0 1.00 0.02 0.02) = 0.022% HA2 GLY 114 - HB2 GLU- 75 2.500% * 0.0218% (0.09 1.0 1.00 0.02 0.02) = 0.022% HB3 SER 88 - HB3 GLU- 75 2.500% * 0.0210% (0.09 1.0 1.00 0.02 0.02) = 0.021% HB2 SER 85 - HB3 GLU- 75 2.500% * 0.0208% (0.08 1.0 1.00 0.02 0.02) = 0.021% HB3 SER 77 - HB3 GLU- 75 2.500% * 0.0205% (0.08 1.0 1.00 0.02 0.02) = 0.020% HA2 GLY 114 - HB3 GLU- 75 2.500% * 0.0205% (0.08 1.0 1.00 0.02 0.02) = 0.020% HA LYS+ 117 - HB VAL 73 2.500% * 0.0196% (0.08 1.0 1.00 0.02 0.14) = 0.020% HB3 SER 27 - HB2 GLU- 75 2.500% * 0.0181% (0.07 1.0 1.00 0.02 0.02) = 0.018% HA GLU- 45 - HB2 GLU- 75 2.500% * 0.0173% (0.07 1.0 1.00 0.02 0.11) = 0.017% HB3 SER 27 - HB3 GLU- 75 2.500% * 0.0170% (0.07 1.0 1.00 0.02 0.02) = 0.017% HD3 PRO 35 - HB VAL 73 2.500% * 0.0140% (0.06 1.0 1.00 0.02 0.02) = 0.014% HA LYS+ 117 - HB2 GLU- 75 2.500% * 0.0119% (0.05 1.0 1.00 0.02 0.02) = 0.012% HD2 PRO 116 - HB VAL 73 2.500% * 0.0115% (0.05 1.0 1.00 0.02 0.02) = 0.011% HA LYS+ 117 - HB3 GLU- 75 2.500% * 0.0112% (0.05 1.0 1.00 0.02 0.02) = 0.011% HD2 PRO 86 - HB VAL 73 2.500% * 0.0093% (0.04 1.0 1.00 0.02 0.02) = 0.009% HD3 PRO 35 - HB2 GLU- 75 2.500% * 0.0085% (0.03 1.0 1.00 0.02 0.02) = 0.008% HD2 PRO 116 - HB2 GLU- 75 2.500% * 0.0070% (0.03 1.0 1.00 0.02 0.02) = 0.007% HD2 PRO 86 - HB2 GLU- 75 2.500% * 0.0056% (0.02 1.0 1.00 0.02 0.02) = 0.006% Reference assignment not found: HD3 PRO 86 - HB2 PRO 86 Peak 4271 (1.98, 1.98, 32.16 ppm): 2 diagonal assignments: * HB2 PRO 86 - HB2 PRO 86 (0.96) kept HB VAL 73 - HB VAL 73 (0.14) kept Peak 4272 (4.48, 2.32, 32.16 ppm): 27 chemical-shift based assignments, quality = 0.94, support = 1.19, residual support = 1.04: HA ILE 100 - HB3 PRO 86 3.704% * 25.6440% (0.94 1.27 1.16) = 25.644% kept HA GLN 102 - HB3 PRO 86 3.704% * 25.6440% (0.94 1.27 1.16) = 25.644% kept HA MET 126 - HB3 PRO 86 3.704% * 24.5081% (0.99 1.15 0.68) = 24.508% kept HA LYS+ 32 - HB3 PRO 86 3.704% * 22.7609% (0.94 1.13 1.25) = 22.761% kept HA CYS 123 - HB3 PRO 86 3.704% * 0.2074% (0.48 0.02 0.02) = 0.207% HA SER 77 - HB3 PRO 86 3.704% * 0.2074% (0.48 0.02 0.02) = 0.207% HA GLU- 50 - HB3 PRO 86 3.704% * 0.1911% (0.45 0.02 0.02) = 0.191% HA MET 118 - HB3 PRO 86 3.704% * 0.1185% (0.28 0.02 0.02) = 0.118% HA MET 126 - HB3 PRO 116 3.704% * 0.0866% (0.20 0.02 0.02) = 0.087% HB THR 79 - HB3 PRO 86 3.704% * 0.0843% (0.20 0.02 0.02) = 0.084% HA GLN 102 - HB3 PRO 116 3.704% * 0.0819% (0.19 0.02 0.02) = 0.082% HA ILE 100 - HB3 PRO 116 3.704% * 0.0819% (0.19 0.02 0.02) = 0.082% HA LYS+ 32 - HB3 PRO 116 3.704% * 0.0819% (0.19 0.02 0.02) = 0.082% HA SER 77 - HB3 PRO 116 3.704% * 0.0422% (0.10 0.02 0.02) = 0.042% HA CYS 123 - HB3 PRO 116 3.704% * 0.0422% (0.10 0.02 0.02) = 0.042% HA GLU- 50 - HB3 PRO 116 3.704% * 0.0388% (0.09 0.02 0.02) = 0.039% HA MET 118 - HB3 PRO 116 3.704% * 0.0241% (0.06 0.02 0.02) = 0.024% HA MET 126 - HB2 GLU- 64 3.704% * 0.0240% (0.06 0.02 0.02) = 0.024% HA ILE 100 - HB2 GLU- 64 3.704% * 0.0227% (0.05 0.02 0.02) = 0.023% HA GLN 102 - HB2 GLU- 64 3.704% * 0.0227% (0.05 0.02 0.02) = 0.023% HA LYS+ 32 - HB2 GLU- 64 3.704% * 0.0227% (0.05 0.02 0.02) = 0.023% HB THR 79 - HB3 PRO 116 3.704% * 0.0171% (0.04 0.02 0.02) = 0.017% HA SER 77 - HB2 GLU- 64 3.704% * 0.0117% (0.03 0.02 0.02) = 0.012% HA CYS 123 - HB2 GLU- 64 3.704% * 0.0117% (0.03 0.02 0.02) = 0.012% HA GLU- 50 - HB2 GLU- 64 3.704% * 0.0107% (0.03 0.02 0.02) = 0.011% HA MET 118 - HB2 GLU- 64 3.704% * 0.0067% (0.02 0.02 0.02) = 0.007% HB THR 79 - HB2 GLU- 64 3.704% * 0.0047% (0.01 0.02 0.02) = 0.005% Reference assignment not found: HA PRO 86 - HB3 PRO 86 Peak 4273 (4.48, 1.98, 32.16 ppm): 36 chemical-shift based assignments, quality = 0.92, support = 1.45, residual support = 1.05: HA LYS+ 32 - HB2 PRO 86 2.778% * 32.2223% (0.95 1.93 1.25) = 32.222% kept HA GLN 102 - HB2 PRO 86 2.778% * 21.5139% (0.95 1.29 1.16) = 21.514% kept HA ILE 100 - HB2 PRO 86 2.778% * 21.5139% (0.95 1.29 1.16) = 21.514% kept HA MET 126 - HB2 PRO 86 2.778% * 20.5808% (1.00 1.17 0.68) = 20.581% kept HA GLN 102 - HB3 GLU- 75 2.778% * 1.9077% (0.08 1.33 0.55) = 1.908% kept HA LYS+ 32 - HB VAL 73 2.778% * 1.0090% (0.14 0.40 0.02) = 1.009% kept HA SER 77 - HB2 PRO 86 2.778% * 0.1714% (0.49 0.02 0.02) = 0.171% HA CYS 123 - HB2 PRO 86 2.778% * 0.1714% (0.49 0.02 0.02) = 0.171% HA GLU- 50 - HB2 PRO 86 2.778% * 0.1579% (0.45 0.02 0.02) = 0.158% HA MET 118 - HB2 PRO 86 2.778% * 0.0979% (0.28 0.02 0.02) = 0.098% HB THR 79 - HB2 PRO 86 2.778% * 0.0697% (0.20 0.02 0.02) = 0.070% HA MET 126 - HB VAL 73 2.778% * 0.0531% (0.15 0.02 0.02) = 0.053% HA GLN 102 - HB VAL 73 2.778% * 0.0502% (0.14 0.02 0.02) = 0.050% HA ILE 100 - HB VAL 73 2.778% * 0.0502% (0.14 0.02 0.02) = 0.050% HA MET 126 - HB2 GLU- 75 2.778% * 0.0323% (0.09 0.02 0.02) = 0.032% HA GLN 102 - HB2 GLU- 75 2.778% * 0.0305% (0.09 0.02 0.55) = 0.031% HA ILE 100 - HB2 GLU- 75 2.778% * 0.0305% (0.09 0.02 0.02) = 0.031% HA LYS+ 32 - HB2 GLU- 75 2.778% * 0.0305% (0.09 0.02 0.02) = 0.031% HA MET 126 - HB3 GLU- 75 2.778% * 0.0303% (0.09 0.02 0.02) = 0.030% HA ILE 100 - HB3 GLU- 75 2.778% * 0.0286% (0.08 0.02 0.02) = 0.029% HA LYS+ 32 - HB3 GLU- 75 2.778% * 0.0286% (0.08 0.02 0.02) = 0.029% HA CYS 123 - HB VAL 73 2.778% * 0.0258% (0.07 0.02 0.02) = 0.026% HA SER 77 - HB VAL 73 2.778% * 0.0258% (0.07 0.02 0.02) = 0.026% HA GLU- 50 - HB VAL 73 2.778% * 0.0238% (0.07 0.02 0.02) = 0.024% HA CYS 123 - HB2 GLU- 75 2.778% * 0.0157% (0.04 0.02 0.02) = 0.016% HA SER 77 - HB2 GLU- 75 2.778% * 0.0157% (0.04 0.02 0.02) = 0.016% HA MET 118 - HB VAL 73 2.778% * 0.0148% (0.04 0.02 0.02) = 0.015% HA SER 77 - HB3 GLU- 75 2.778% * 0.0147% (0.04 0.02 0.02) = 0.015% HA CYS 123 - HB3 GLU- 75 2.778% * 0.0147% (0.04 0.02 0.02) = 0.015% HA GLU- 50 - HB2 GLU- 75 2.778% * 0.0145% (0.04 0.02 0.72) = 0.014% HA GLU- 50 - HB3 GLU- 75 2.778% * 0.0136% (0.04 0.02 0.72) = 0.014% HB THR 79 - HB VAL 73 2.778% * 0.0105% (0.03 0.02 0.02) = 0.011% HA MET 118 - HB2 GLU- 75 2.778% * 0.0090% (0.03 0.02 0.02) = 0.009% HA MET 118 - HB3 GLU- 75 2.778% * 0.0084% (0.02 0.02 0.02) = 0.008% HB THR 79 - HB2 GLU- 75 2.778% * 0.0064% (0.02 0.02 0.02) = 0.006% HB THR 79 - HB3 GLU- 75 2.778% * 0.0060% (0.02 0.02 0.02) = 0.006% Reference assignment not found: HA PRO 86 - HB2 PRO 86 Peak 4274 (3.83, 3.83, 51.25 ppm): 3 diagonal assignments: * HD3 PRO 86 - HD3 PRO 86 (0.77) kept HD3 PRO 116 - HD3 PRO 116 (0.52) kept HD3 PRO 112 - HD3 PRO 112 (0.02) kept Peak 4275 (2.33, 3.83, 51.25 ppm): 21 chemical-shift based assignments, quality = 0.729, support = 3.54, residual support = 22.6: * O HB3 PRO 86 - HD3 PRO 86 4.762% * 79.2379% (0.89 10.0 1.00 3.53 22.64) = 79.238% kept O HB3 PRO 116 - HD3 PRO 116 4.762% * 12.7957% (0.14 10.0 1.00 3.30 16.46) = 12.796% kept O HG2 PRO 112 - HD3 PRO 112 4.762% * 6.4463% (0.07 10.0 1.00 4.90 39.48) = 6.446% kept T HG2 PRO 112 - HD3 PRO 86 4.762% * 0.7144% (0.80 1.0 10.00 0.02 0.02) = 0.714% T HG2 PRO 112 - HD3 PRO 116 4.762% * 0.4465% (0.50 1.0 10.00 0.02 0.02) = 0.446% HB2 TYR 83 - HD3 PRO 86 4.762% * 0.0805% (0.90 1.0 1.00 0.02 0.02) = 0.080% HB2 TYR 83 - HD3 PRO 116 4.762% * 0.0503% (0.57 1.0 1.00 0.02 0.02) = 0.050% HB3 PRO 86 - HD3 PRO 116 4.762% * 0.0495% (0.56 1.0 1.00 0.02 0.02) = 0.050% HG3 GLU- 56 - HD3 PRO 86 4.762% * 0.0465% (0.52 1.0 1.00 0.02 0.02) = 0.046% HG3 GLU- 56 - HD3 PRO 116 4.762% * 0.0291% (0.33 1.0 1.00 0.02 0.02) = 0.029% HG2 GLU- 64 - HD3 PRO 86 4.762% * 0.0253% (0.28 1.0 1.00 0.02 0.02) = 0.025% HB3 PRO 116 - HD3 PRO 86 4.762% * 0.0205% (0.23 1.0 1.00 0.02 0.02) = 0.020% HG2 GLU- 64 - HD3 PRO 116 4.762% * 0.0158% (0.18 1.0 1.00 0.02 0.02) = 0.016% HB2 GLU- 64 - HD3 PRO 86 4.762% * 0.0111% (0.12 1.0 1.00 0.02 0.02) = 0.011% HB2 TYR 83 - HD3 PRO 112 4.762% * 0.0073% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB3 PRO 86 - HD3 PRO 112 4.762% * 0.0072% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB2 GLU- 64 - HD3 PRO 116 4.762% * 0.0069% (0.08 1.0 1.00 0.02 0.02) = 0.007% HG3 GLU- 56 - HD3 PRO 112 4.762% * 0.0042% (0.05 1.0 1.00 0.02 0.14) = 0.004% HG2 GLU- 64 - HD3 PRO 112 4.762% * 0.0023% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB3 PRO 116 - HD3 PRO 112 4.762% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB2 GLU- 64 - HD3 PRO 112 4.762% * 0.0010% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 4276 (1.98, 3.83, 51.25 ppm): 45 chemical-shift based assignments, quality = 0.76, support = 3.33, residual support = 22.1: * O T HB2 PRO 86 - HD3 PRO 86 2.222% * 80.7515% (0.92 10.0 10.00 3.57 22.64) = 80.752% kept O HG3 PRO 116 - HD3 PRO 116 2.222% * 11.2612% (0.13 10.0 1.00 2.21 16.46) = 11.261% kept O HG2 PRO 112 - HD3 PRO 112 2.222% * 3.5505% (0.04 10.0 1.00 4.90 39.48) = 3.551% kept O HG3 PRO 112 - HD3 PRO 112 2.222% * 1.3969% (0.02 10.0 1.00 1.93 39.48) = 1.397% kept T HB VAL 73 - HD3 PRO 86 2.222% * 0.6185% (0.71 1.0 10.00 0.02 0.02) = 0.618% T HB2 PRO 86 - HD3 PRO 116 2.222% * 0.5047% (0.58 1.0 10.00 0.02 0.02) = 0.505% T HG2 PRO 112 - HD3 PRO 86 2.222% * 0.3935% (0.45 1.0 10.00 0.02 0.02) = 0.393% T HB VAL 73 - HD3 PRO 116 2.222% * 0.3866% (0.44 1.0 10.00 0.02 0.02) = 0.387% T HG2 PRO 112 - HD3 PRO 116 2.222% * 0.2459% (0.28 1.0 10.00 0.02 0.02) = 0.246% T HG3 PRO 112 - HD3 PRO 86 2.222% * 0.1602% (0.18 1.0 10.00 0.02 0.02) = 0.160% T HG3 PRO 112 - HD3 PRO 116 2.222% * 0.1001% (0.11 1.0 10.00 0.02 0.02) = 0.100% HB2 LYS+ 108 - HD3 PRO 86 2.222% * 0.0781% (0.89 1.0 1.00 0.02 0.02) = 0.078% HB3 GLU- 56 - HD3 PRO 86 2.222% * 0.0747% (0.85 1.0 1.00 0.02 0.02) = 0.075% HG3 PRO 104 - HD3 PRO 86 2.222% * 0.0676% (0.77 1.0 1.00 0.02 0.02) = 0.068% HB2 LYS+ 108 - HD3 PRO 116 2.222% * 0.0488% (0.56 1.0 1.00 0.02 0.02) = 0.049% HB3 GLU- 56 - HD3 PRO 116 2.222% * 0.0467% (0.53 1.0 1.00 0.02 0.02) = 0.047% HG3 PRO 104 - HD3 PRO 116 2.222% * 0.0422% (0.48 1.0 1.00 0.02 0.02) = 0.042% HB3 GLU- 109 - HD3 PRO 86 2.222% * 0.0276% (0.31 1.0 1.00 0.02 0.02) = 0.028% HB3 MET 118 - HD3 PRO 86 2.222% * 0.0202% (0.23 1.0 1.00 0.02 0.02) = 0.020% HB2 HIS+ 14 - HD3 PRO 86 2.222% * 0.0202% (0.23 1.0 1.00 0.02 0.02) = 0.020% HB VAL 13 - HD3 PRO 86 2.222% * 0.0202% (0.23 1.0 1.00 0.02 0.02) = 0.020% HG3 PRO 116 - HD3 PRO 86 2.222% * 0.0180% (0.21 1.0 1.00 0.02 0.02) = 0.018% HB3 GLU- 109 - HD3 PRO 116 2.222% * 0.0173% (0.20 1.0 1.00 0.02 0.02) = 0.017% HB2 GLU- 18 - HD3 PRO 86 2.222% * 0.0142% (0.16 1.0 1.00 0.02 0.02) = 0.014% HB2 PRO 35 - HD3 PRO 86 2.222% * 0.0142% (0.16 1.0 1.00 0.02 0.02) = 0.014% HB2 HIS+ 14 - HD3 PRO 116 2.222% * 0.0126% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB3 MET 118 - HD3 PRO 116 2.222% * 0.0126% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB VAL 13 - HD3 PRO 116 2.222% * 0.0126% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB3 GLU- 75 - HD3 PRO 86 2.222% * 0.0117% (0.13 1.0 1.00 0.02 0.02) = 0.012% HB2 GLU- 18 - HD3 PRO 116 2.222% * 0.0089% (0.10 1.0 1.00 0.02 0.02) = 0.009% HB2 PRO 35 - HD3 PRO 116 2.222% * 0.0089% (0.10 1.0 1.00 0.02 0.02) = 0.009% HB3 GLU- 75 - HD3 PRO 116 2.222% * 0.0073% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB2 PRO 86 - HD3 PRO 112 2.222% * 0.0073% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB2 LYS+ 108 - HD3 PRO 112 2.222% * 0.0070% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB3 GLU- 56 - HD3 PRO 112 2.222% * 0.0067% (0.08 1.0 1.00 0.02 0.14) = 0.007% HG3 PRO 104 - HD3 PRO 112 2.222% * 0.0061% (0.07 1.0 1.00 0.02 3.72) = 0.006% HB VAL 73 - HD3 PRO 112 2.222% * 0.0056% (0.06 1.0 1.00 0.02 0.41) = 0.006% HB3 GLU- 109 - HD3 PRO 112 2.222% * 0.0025% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB2 HIS+ 14 - HD3 PRO 112 2.222% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB3 MET 118 - HD3 PRO 112 2.222% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB VAL 13 - HD3 PRO 112 2.222% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% HG3 PRO 116 - HD3 PRO 112 2.222% * 0.0016% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB2 GLU- 18 - HD3 PRO 112 2.222% * 0.0013% (0.01 1.0 1.00 0.02 0.12) = 0.001% HB2 PRO 35 - HD3 PRO 112 2.222% * 0.0013% (0.01 1.0 1.00 0.02 1.75) = 0.001% HB3 GLU- 75 - HD3 PRO 112 2.222% * 0.0011% (0.01 1.0 1.00 0.02 0.30) = 0.001% Peak 4277 (7.79, 2.32, 32.16 ppm): 12 chemical-shift based assignments, quality = 0.99, support = 3.7, residual support = 20.3: * O HN VAL 87 - HB3 PRO 86 8.333% * 99.7369% (0.99 10.0 3.71 20.31) = 99.737% kept HN THR 46 - HB3 PRO 86 8.333% * 0.1000% (0.99 1.0 0.02 0.02) = 0.100% HN ALA 93 - HB3 PRO 86 8.333% * 0.0606% (0.60 1.0 0.02 0.02) = 0.061% HN LYS+ 55 - HB3 PRO 86 8.333% * 0.0278% (0.28 1.0 0.02 0.02) = 0.028% HN THR 46 - HB3 PRO 116 8.333% * 0.0203% (0.20 1.0 0.02 0.02) = 0.020% HN VAL 87 - HB3 PRO 116 8.333% * 0.0203% (0.20 1.0 0.02 0.02) = 0.020% HN ALA 93 - HB3 PRO 116 8.333% * 0.0123% (0.12 1.0 0.02 0.02) = 0.012% HN LYS+ 55 - HB3 PRO 116 8.333% * 0.0056% (0.06 1.0 0.02 0.02) = 0.006% HN THR 46 - HB2 GLU- 64 8.333% * 0.0056% (0.06 1.0 0.02 0.02) = 0.006% HN VAL 87 - HB2 GLU- 64 8.333% * 0.0056% (0.06 1.0 0.02 0.02) = 0.006% HN ALA 93 - HB2 GLU- 64 8.333% * 0.0034% (0.03 1.0 0.02 0.02) = 0.003% HN LYS+ 55 - HB2 GLU- 64 8.333% * 0.0016% (0.02 1.0 0.02 0.02) = 0.002% Peak 4278 (7.79, 1.98, 32.16 ppm): 16 chemical-shift based assignments, quality = 0.989, support = 3.62, residual support = 20.1: * O HN VAL 87 - HB2 PRO 86 6.250% * 99.1652% (1.00 10.0 3.65 20.31) = 99.165% kept HN ALA 93 - HB2 PRO 86 6.250% * 0.5866% (0.61 1.0 0.19 0.02) = 0.587% HN THR 46 - HB2 PRO 86 6.250% * 0.0994% (1.00 1.0 0.02 0.02) = 0.099% HN ALA 93 - HB3 GLU- 75 6.250% * 0.0323% (0.05 1.0 0.12 0.02) = 0.032% HN LYS+ 55 - HB2 PRO 86 6.250% * 0.0276% (0.28 1.0 0.02 0.02) = 0.028% HN THR 46 - HB VAL 73 6.250% * 0.0150% (0.15 1.0 0.02 0.02) = 0.015% HN VAL 87 - HB VAL 73 6.250% * 0.0150% (0.15 1.0 0.02 0.02) = 0.015% HN THR 46 - HB2 GLU- 75 6.250% * 0.0091% (0.09 1.0 0.02 0.02) = 0.009% HN ALA 93 - HB VAL 73 6.250% * 0.0091% (0.09 1.0 0.02 0.02) = 0.009% HN VAL 87 - HB2 GLU- 75 6.250% * 0.0091% (0.09 1.0 0.02 0.02) = 0.009% HN THR 46 - HB3 GLU- 75 6.250% * 0.0085% (0.09 1.0 0.02 0.02) = 0.009% HN VAL 87 - HB3 GLU- 75 6.250% * 0.0085% (0.09 1.0 0.02 0.02) = 0.009% HN ALA 93 - HB2 GLU- 75 6.250% * 0.0055% (0.06 1.0 0.02 0.02) = 0.006% HN LYS+ 55 - HB VAL 73 6.250% * 0.0042% (0.04 1.0 0.02 0.02) = 0.004% HN LYS+ 55 - HB2 GLU- 75 6.250% * 0.0025% (0.03 1.0 0.02 0.02) = 0.003% HN LYS+ 55 - HB3 GLU- 75 6.250% * 0.0024% (0.02 1.0 0.02 0.02) = 0.002% Peak 4279 (3.86, 2.05, 27.61 ppm): 40 chemical-shift based assignments, quality = 0.448, support = 2.5, residual support = 13.1: O T HD2 PRO 86 - HG3 PRO 86 2.500% * 43.6424% (0.37 10.0 10.00 3.55 22.64) = 43.642% kept O T HD2 PRO 116 - HG2 PRO 116 2.500% * 17.0670% (0.15 10.0 10.00 3.55 16.46) = 17.067% kept T HA GLU- 45 - HG3 PRO 86 2.500% * 11.8907% (0.89 1.0 10.00 0.23 0.02) = 11.891% kept HB2 SER 85 - HG3 PRO 86 2.500% * 11.1116% (0.99 1.0 1.00 1.92 2.67) = 11.112% kept T HA GLU- 45 - HG2 PRO 112 2.500% * 4.7808% (0.13 1.0 10.00 0.61 0.28) = 4.781% kept T HD3 PRO 35 - HG2 PRO 112 2.500% * 3.4781% (0.08 1.0 10.00 0.76 1.75) = 3.478% kept HB3 SER 88 - HG3 PRO 86 2.500% * 3.4563% (0.98 1.0 1.00 0.60 0.02) = 3.456% kept HA LYS+ 117 - HG2 PRO 116 2.500% * 1.5737% (0.12 1.0 1.00 2.20 3.37) = 1.574% kept T HD3 PRO 35 - HG3 PRO 86 2.500% * 0.6118% (0.52 1.0 10.00 0.02 0.02) = 0.612% T HD2 PRO 116 - HG3 PRO 86 2.500% * 0.5213% (0.44 1.0 10.00 0.02 0.02) = 0.521% HB3 SER 77 - HG2 PRO 112 2.500% * 0.3280% (0.15 1.0 1.00 0.38 0.02) = 0.328% HB2 SER 85 - HG2 PRO 112 2.500% * 0.2227% (0.15 1.0 1.00 0.26 0.02) = 0.223% T HD3 PRO 35 - HG2 PRO 116 2.500% * 0.2003% (0.17 1.0 10.00 0.02 0.02) = 0.200% T HD2 PRO 86 - HG2 PRO 116 2.500% * 0.1429% (0.12 1.0 10.00 0.02 0.02) = 0.143% HA2 GLY 114 - HG3 PRO 86 2.500% * 0.1163% (0.99 1.0 1.00 0.02 0.02) = 0.116% HB3 SER 77 - HG3 PRO 86 2.500% * 0.1163% (0.99 1.0 1.00 0.02 0.02) = 0.116% HB3 SER 27 - HG3 PRO 86 2.500% * 0.1073% (0.92 1.0 1.00 0.02 0.02) = 0.107% HB3 SER 88 - HG2 PRO 112 2.500% * 0.0937% (0.15 1.0 1.00 0.11 0.02) = 0.094% T HD2 PRO 116 - HG2 PRO 112 2.500% * 0.0779% (0.07 1.0 10.00 0.02 0.02) = 0.078% T HD2 PRO 86 - HG2 PRO 112 2.500% * 0.0652% (0.06 1.0 10.00 0.02 0.02) = 0.065% HA LYS+ 117 - HG3 PRO 86 2.500% * 0.0436% (0.37 1.0 1.00 0.02 0.02) = 0.044% HA2 GLY 114 - HG2 PRO 116 2.500% * 0.0381% (0.32 1.0 1.00 0.02 0.48) = 0.038% HB3 SER 77 - HG2 PRO 116 2.500% * 0.0381% (0.32 1.0 1.00 0.02 0.02) = 0.038% HB2 SER 85 - HG2 PRO 116 2.500% * 0.0380% (0.32 1.0 1.00 0.02 0.02) = 0.038% HB3 SER 88 - HG2 PRO 116 2.500% * 0.0377% (0.32 1.0 1.00 0.02 0.02) = 0.038% HB3 SER 27 - HG2 PRO 116 2.500% * 0.0351% (0.30 1.0 1.00 0.02 0.02) = 0.035% HA GLU- 45 - HG2 PRO 116 2.500% * 0.0341% (0.29 1.0 1.00 0.02 0.02) = 0.034% T HD3 PRO 35 - HG3 PRO 112 2.500% * 0.0243% (0.02 1.0 10.00 0.02 1.75) = 0.024% T HD2 PRO 116 - HG3 PRO 112 2.500% * 0.0207% (0.02 1.0 10.00 0.02 0.02) = 0.021% HA2 GLY 114 - HG2 PRO 112 2.500% * 0.0174% (0.15 1.0 1.00 0.02 0.02) = 0.017% T HD2 PRO 86 - HG3 PRO 112 2.500% * 0.0173% (0.01 1.0 10.00 0.02 0.02) = 0.017% HB3 SER 27 - HG2 PRO 112 2.500% * 0.0160% (0.14 1.0 1.00 0.02 0.02) = 0.016% HA LYS+ 117 - HG2 PRO 112 2.500% * 0.0065% (0.06 1.0 1.00 0.02 0.02) = 0.007% HB3 SER 77 - HG3 PRO 112 2.500% * 0.0046% (0.04 1.0 1.00 0.02 0.02) = 0.005% HA2 GLY 114 - HG3 PRO 112 2.500% * 0.0046% (0.04 1.0 1.00 0.02 0.02) = 0.005% HB2 SER 85 - HG3 PRO 112 2.500% * 0.0046% (0.04 1.0 1.00 0.02 0.02) = 0.005% HB3 SER 88 - HG3 PRO 112 2.500% * 0.0046% (0.04 1.0 1.00 0.02 0.02) = 0.005% HB3 SER 27 - HG3 PRO 112 2.500% * 0.0043% (0.04 1.0 1.00 0.02 0.02) = 0.004% HA GLU- 45 - HG3 PRO 112 2.500% * 0.0041% (0.04 1.0 1.00 0.02 0.28) = 0.004% HA LYS+ 117 - HG3 PRO 112 2.500% * 0.0017% (0.01 1.0 1.00 0.02 0.02) = 0.002% Reference assignment not found: HD3 PRO 86 - HG3 PRO 86 Peak 4280 (2.05, 2.05, 27.61 ppm): 2 diagonal assignments: * HG3 PRO 86 - HG3 PRO 86 (0.98) kept HG2 PRO 112 - HG2 PRO 112 (0.10) kept Peak 4281 (7.80, 2.05, 27.61 ppm): 20 chemical-shift based assignments, quality = 0.7, support = 3.42, residual support = 18.5: * HN VAL 87 - HG3 PRO 86 5.000% * 91.1739% (0.76 3.70 20.31) = 91.174% kept HN LYS+ 55 - HG2 PRO 112 5.000% * 4.0230% (0.11 1.15 0.68) = 4.023% kept HN VAL 87 - HG2 PRO 116 5.000% * 1.3118% (0.25 0.16 0.02) = 1.312% kept HN THR 46 - HG2 PRO 112 5.000% * 1.0237% (0.11 0.29 0.02) = 1.024% kept HN ALA 93 - HG3 PRO 86 5.000% * 0.6329% (0.97 0.02 0.02) = 0.633% HN LYS+ 55 - HG3 PRO 86 5.000% * 0.4688% (0.72 0.02 0.02) = 0.469% HN THR 46 - HG3 PRO 86 5.000% * 0.4688% (0.72 0.02 0.02) = 0.469% HN ALA 93 - HG2 PRO 116 5.000% * 0.2072% (0.32 0.02 0.02) = 0.207% HN LYS+ 55 - HG2 PRO 116 5.000% * 0.1535% (0.24 0.02 0.02) = 0.153% HN THR 46 - HG2 PRO 116 5.000% * 0.1535% (0.24 0.02 0.02) = 0.153% HN ALA 93 - HG2 PRO 112 5.000% * 0.0946% (0.15 0.02 0.02) = 0.095% HN LYS+ 63 - HG3 PRO 86 5.000% * 0.0874% (0.13 0.02 0.02) = 0.087% HN VAL 87 - HG2 PRO 112 5.000% * 0.0737% (0.11 0.02 0.02) = 0.074% HN LYS+ 63 - HG2 PRO 116 5.000% * 0.0286% (0.04 0.02 0.25) = 0.029% HN ALA 93 - HG3 PRO 112 5.000% * 0.0252% (0.04 0.02 0.02) = 0.025% HN VAL 87 - HG3 PRO 112 5.000% * 0.0196% (0.03 0.02 0.02) = 0.020% HN LYS+ 55 - HG3 PRO 112 5.000% * 0.0186% (0.03 0.02 0.68) = 0.019% HN THR 46 - HG3 PRO 112 5.000% * 0.0186% (0.03 0.02 0.02) = 0.019% HN LYS+ 63 - HG2 PRO 112 5.000% * 0.0131% (0.02 0.02 0.02) = 0.013% HN LYS+ 63 - HG3 PRO 112 5.000% * 0.0035% (0.01 0.02 0.02) = 0.003% Peak 4282 (1.63, 1.63, 26.98 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HG LEU 90 - HG LEU 90 Peak unassigned. Peak 4283 (4.30, 1.63, 26.98 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HA LEU 90 - HG LEU 90 Peak unassigned. Peak 4284 (2.89, 1.63, 26.98 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 4285 (4.14, 1.90, 30.28 ppm): 36 chemical-shift based assignments, quality = 0.761, support = 3.41, residual support = 32.5: * O T HA ARG+ 53 - HB3 ARG+ 53 2.778% * 83.9150% (0.78 10.0 10.00 4.00 38.79) = 83.915% kept T HA ARG+ 53 - HD3 LYS+ 63 2.778% * 14.8462% (0.74 1.0 10.00 0.37 0.02) = 14.846% kept HA2 GLY 71 - HB3 ARG+ 53 2.778% * 0.1046% (0.97 1.0 1.00 0.02 0.02) = 0.105% HB3 SER 49 - HB3 ARG+ 53 2.778% * 0.1037% (0.96 1.0 1.00 0.02 0.02) = 0.104% HA LYS+ 110 - HB3 ARG+ 53 2.778% * 0.1027% (0.95 1.0 1.00 0.02 0.02) = 0.103% HB2 SER 88 - HB3 ARG+ 53 2.778% * 0.0991% (0.92 1.0 1.00 0.02 0.02) = 0.099% HA2 GLY 71 - HD3 LYS+ 63 2.778% * 0.0990% (0.92 1.0 1.00 0.02 0.02) = 0.099% HB3 SER 49 - HD3 LYS+ 63 2.778% * 0.0982% (0.91 1.0 1.00 0.02 0.02) = 0.098% HA LYS+ 110 - HD3 LYS+ 63 2.778% * 0.0973% (0.90 1.0 1.00 0.02 0.02) = 0.097% HB2 SER 88 - HD3 LYS+ 63 2.778% * 0.0939% (0.87 1.0 1.00 0.02 0.02) = 0.094% HA VAL 87 - HB3 ARG+ 53 2.778% * 0.0636% (0.59 1.0 1.00 0.02 0.02) = 0.064% HA VAL 87 - HD3 LYS+ 63 2.778% * 0.0602% (0.56 1.0 1.00 0.02 0.02) = 0.060% HA VAL 105 - HB3 ARG+ 53 2.778% * 0.0261% (0.24 1.0 1.00 0.02 0.02) = 0.026% HB THR 106 - HB3 ARG+ 53 2.778% * 0.0261% (0.24 1.0 1.00 0.02 0.02) = 0.026% HB THR 106 - HD3 LYS+ 63 2.778% * 0.0247% (0.23 1.0 1.00 0.02 0.02) = 0.025% HA VAL 105 - HD3 LYS+ 63 2.778% * 0.0247% (0.23 1.0 1.00 0.02 0.02) = 0.025% HA2 GLY 71 - HB2 GLU- 10 2.778% * 0.0226% (0.21 1.0 1.00 0.02 0.02) = 0.023% HB3 SER 49 - HB2 GLU- 10 2.778% * 0.0224% (0.21 1.0 1.00 0.02 0.02) = 0.022% HA LYS+ 110 - HB2 GLU- 10 2.778% * 0.0222% (0.21 1.0 1.00 0.02 0.02) = 0.022% HB2 SER 88 - HB2 GLU- 10 2.778% * 0.0214% (0.20 1.0 1.00 0.02 0.02) = 0.021% HA THR 46 - HB3 ARG+ 53 2.778% * 0.0207% (0.19 1.0 1.00 0.02 0.02) = 0.021% HA THR 46 - HD3 LYS+ 63 2.778% * 0.0196% (0.18 1.0 1.00 0.02 0.02) = 0.020% HA ARG+ 53 - HB2 GLU- 10 2.778% * 0.0182% (0.17 1.0 1.00 0.02 0.02) = 0.018% HA VAL 87 - HB2 GLU- 10 2.778% * 0.0138% (0.13 1.0 1.00 0.02 0.02) = 0.014% HA2 GLY 71 - HB2 GLU- 75 2.778% * 0.0063% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB3 SER 49 - HB2 GLU- 75 2.778% * 0.0063% (0.06 1.0 1.00 0.02 0.02) = 0.006% HA LYS+ 110 - HB2 GLU- 75 2.778% * 0.0062% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB2 SER 88 - HB2 GLU- 75 2.778% * 0.0060% (0.06 1.0 1.00 0.02 0.02) = 0.006% HA VAL 105 - HB2 GLU- 10 2.778% * 0.0057% (0.05 1.0 1.00 0.02 0.02) = 0.006% HB THR 106 - HB2 GLU- 10 2.778% * 0.0057% (0.05 1.0 1.00 0.02 0.02) = 0.006% HA ARG+ 53 - HB2 GLU- 75 2.778% * 0.0051% (0.05 1.0 1.00 0.02 0.02) = 0.005% HA THR 46 - HB2 GLU- 10 2.778% * 0.0045% (0.04 1.0 1.00 0.02 0.02) = 0.004% HA VAL 87 - HB2 GLU- 75 2.778% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% HA VAL 105 - HB2 GLU- 75 2.778% * 0.0016% (0.01 1.0 1.00 0.02 0.02) = 0.002% HB THR 106 - HB2 GLU- 75 2.778% * 0.0016% (0.01 1.0 1.00 0.02 0.02) = 0.002% HA THR 46 - HB2 GLU- 75 2.778% * 0.0013% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 4286 (3.28, 4.12, 58.42 ppm): 8 chemical-shift based assignments, quality = 0.467, support = 2.76, residual support = 27.7: * HD3 ARG+ 53 - HA ARG+ 53 12.500% * 40.9746% (0.52 3.33 38.79) = 40.975% kept HD2 PRO 52 - HA ARG+ 53 12.500% * 29.3999% (0.38 3.28 23.27) = 29.400% kept HE3 LYS+ 63 - HA LYS+ 63 12.500% * 22.2809% (0.53 1.77 22.47) = 22.281% kept HD3 ARG+ 22 - HA ARG+ 53 12.500% * 6.4292% (0.42 0.65 0.02) = 6.429% kept HD3 ARG+ 53 - HA LYS+ 63 12.500% * 0.2717% (0.57 0.02 0.02) = 0.272% HE3 LYS+ 63 - HA ARG+ 53 12.500% * 0.2279% (0.48 0.02 0.02) = 0.228% HD3 ARG+ 22 - HA LYS+ 63 12.500% * 0.2180% (0.46 0.02 0.02) = 0.218% HD2 PRO 52 - HA LYS+ 63 12.500% * 0.1977% (0.42 0.02 1.23) = 0.198% Peak 4287 (1.91, 1.90, 30.28 ppm): 4 diagonal assignments: HD3 LYS+ 63 - HD3 LYS+ 63 (0.91) kept * HB3 ARG+ 53 - HB3 ARG+ 53 (0.63) kept HB2 GLU- 10 - HB2 GLU- 10 (0.09) kept HB2 GLU- 75 - HB2 GLU- 75 (0.01) kept Peak 4292 (8.45, 3.28, 43.49 ppm): 14 chemical-shift based assignments, quality = 0.55, support = 3.31, residual support = 29.5: * HN ARG+ 53 - HD3 ARG+ 53 7.143% * 76.1087% (0.53 4.24 38.79) = 76.109% kept HN LEU 74 - HD3 ARG+ 53 7.143% * 11.0535% (1.00 0.32 0.02) = 11.053% kept HN CYS 123 - HD3 ARG+ 53 7.143% * 7.5177% (0.49 0.45 0.11) = 7.518% kept HN LYS+ 117 - HE3 LYS+ 63 7.143% * 2.5971% (0.12 0.64 0.73) = 2.597% kept HN LEU 74 - HE3 LYS+ 63 7.143% * 0.5958% (0.87 0.02 0.02) = 0.596% HN GLU- 107 - HD3 ARG+ 53 7.143% * 0.4142% (0.61 0.02 0.02) = 0.414% HN GLU- 107 - HE3 LYS+ 63 7.143% * 0.3622% (0.53 0.02 0.02) = 0.362% HN ARG+ 53 - HE3 LYS+ 63 7.143% * 0.3142% (0.46 0.02 0.02) = 0.314% HN CYS 123 - HE3 LYS+ 63 7.143% * 0.2907% (0.43 0.02 0.02) = 0.291% HN GLY 92 - HD3 ARG+ 53 7.143% * 0.2563% (0.37 0.02 0.02) = 0.256% HN GLY 92 - HE3 LYS+ 63 7.143% * 0.2241% (0.33 0.02 0.02) = 0.224% HN LYS+ 113 - HD3 ARG+ 53 7.143% * 0.0924% (0.14 0.02 0.02) = 0.092% HN LYS+ 117 - HD3 ARG+ 53 7.143% * 0.0924% (0.14 0.02 0.02) = 0.092% HN LYS+ 113 - HE3 LYS+ 63 7.143% * 0.0808% (0.12 0.02 1.30) = 0.081% Peak 4293 (1.85, 1.85, 31.57 ppm): 1 diagonal assignment: * HB3 ARG+ 84 - HB3 ARG+ 84 (0.06) kept Peak 4294 (4.28, 1.85, 31.57 ppm): 36 chemical-shift based assignments, quality = 0.115, support = 3.86, residual support = 68.3: * O HA ARG+ 84 - HB3 ARG+ 84 2.778% * 86.8079% (0.12 10.0 4.25 78.16) = 86.808% kept HA SER 85 - HB3 ARG+ 84 2.778% * 6.7831% (0.12 1.0 1.56 5.63) = 6.783% kept HA VAL 122 - HB3 ARG+ 84 2.778% * 5.2986% (0.12 1.0 1.16 1.53) = 5.299% kept HA LEU 90 - HB3 ARG+ 84 2.778% * 0.0899% (0.12 1.0 0.02 0.02) = 0.090% HA VAL 94 - HB3 ARG+ 84 2.778% * 0.0886% (0.12 1.0 0.02 0.02) = 0.089% HA PRO 52 - HB3 ARG+ 84 2.778% * 0.0868% (0.12 1.0 0.02 0.02) = 0.087% HB3 CYS 121 - HB3 ARG+ 84 2.778% * 0.0796% (0.11 1.0 0.02 0.02) = 0.080% HA GLU- 56 - HB3 ARG+ 84 2.778% * 0.0701% (0.09 1.0 0.02 0.02) = 0.070% HA THR 106 - HB3 ARG+ 84 2.778% * 0.0701% (0.09 1.0 0.02 0.02) = 0.070% HA CYS 121 - HB3 ARG+ 84 2.778% * 0.0666% (0.09 1.0 0.02 0.02) = 0.067% HA GLU- 64 - HB3 ARG+ 84 2.778% * 0.0557% (0.07 1.0 0.02 0.02) = 0.056% HA GLU- 75 - HB3 ARG+ 84 2.778% * 0.0520% (0.07 1.0 0.02 0.02) = 0.052% HA ASP- 36 - HB3 ARG+ 84 2.778% * 0.0447% (0.06 1.0 0.02 0.02) = 0.045% HA VAL 122 - HB3 GLN 16 2.778% * 0.0255% (0.03 1.0 0.02 0.02) = 0.026% HA GLU- 107 - HB3 ARG+ 84 2.778% * 0.0255% (0.03 1.0 0.02 0.02) = 0.026% HA ASN 119 - HB3 ARG+ 84 2.778% * 0.0255% (0.03 1.0 0.02 0.02) = 0.026% HA LEU 90 - HB3 GLN 16 2.778% * 0.0251% (0.03 1.0 0.02 0.02) = 0.025% HA VAL 94 - HB3 GLN 16 2.778% * 0.0247% (0.03 1.0 0.02 0.02) = 0.025% HA SER 85 - HB3 GLN 16 2.778% * 0.0242% (0.03 1.0 0.02 0.15) = 0.024% HA ARG+ 84 - HB3 GLN 16 2.778% * 0.0242% (0.03 1.0 0.02 0.02) = 0.024% HA PRO 52 - HB3 GLN 16 2.778% * 0.0242% (0.03 1.0 0.02 0.12) = 0.024% HA ASN 76 - HB3 ARG+ 84 2.778% * 0.0229% (0.03 1.0 0.02 0.02) = 0.023% HB3 CYS 121 - HB3 GLN 16 2.778% * 0.0222% (0.03 1.0 0.02 0.02) = 0.022% HA GLU- 56 - HB3 GLN 16 2.778% * 0.0195% (0.03 1.0 0.02 0.02) = 0.020% HA THR 106 - HB3 GLN 16 2.778% * 0.0195% (0.03 1.0 0.02 0.23) = 0.020% HA CYS 121 - HB3 GLN 16 2.778% * 0.0186% (0.02 1.0 0.02 0.02) = 0.019% HA ALA 11 - HB3 ARG+ 84 2.778% * 0.0182% (0.02 1.0 0.02 0.02) = 0.018% HA GLU- 64 - HB3 GLN 16 2.778% * 0.0155% (0.02 1.0 0.02 0.02) = 0.016% HA GLU- 75 - HB3 GLN 16 2.778% * 0.0145% (0.02 1.0 0.02 0.02) = 0.014% HB3 SER 49 - HB3 ARG+ 84 2.778% * 0.0144% (0.02 1.0 0.02 0.02) = 0.014% HA ASP- 36 - HB3 GLN 16 2.778% * 0.0125% (0.02 1.0 0.02 0.02) = 0.012% HA GLU- 107 - HB3 GLN 16 2.778% * 0.0071% (0.01 1.0 0.02 0.30) = 0.007% HA ASN 119 - HB3 GLN 16 2.778% * 0.0071% (0.01 1.0 0.02 1.76) = 0.007% HA ASN 76 - HB3 GLN 16 2.778% * 0.0064% (0.01 1.0 0.02 0.02) = 0.006% HA ALA 11 - HB3 GLN 16 2.778% * 0.0051% (0.01 1.0 0.02 0.02) = 0.005% HB3 SER 49 - HB3 GLN 16 2.778% * 0.0040% (0.01 1.0 0.02 0.13) = 0.004% Peak 4295 (3.17, 1.85, 31.57 ppm): 6 chemical-shift based assignments, quality = 0.0978, support = 4.89, residual support = 78.0: * O HD3 ARG+ 84 - HB3 ARG+ 84 16.667% * 99.7545% (0.10 10.0 4.90 78.16) = 99.755% kept HB3 PHE 34 - HB3 ARG+ 84 16.667% * 0.1235% (0.12 1.0 0.02 2.40) = 0.123% HB3 HIS+ 98 - HB3 ARG+ 84 16.667% * 0.0468% (0.05 1.0 0.02 0.02) = 0.047% HB3 PHE 34 - HB3 GLN 16 16.667% * 0.0344% (0.03 1.0 0.02 0.02) = 0.034% HD3 ARG+ 84 - HB3 GLN 16 16.667% * 0.0278% (0.03 1.0 0.02 0.02) = 0.028% HB3 HIS+ 98 - HB3 GLN 16 16.667% * 0.0130% (0.01 1.0 0.02 0.02) = 0.013% Peak 4296 (1.65, 1.66, 27.58 ppm): 2 diagonal assignments: * HG3 ARG+ 84 - HG3 ARG+ 84 (0.97) kept HG12 ILE 101 - HG12 ILE 101 (0.04) kept Peak 4297 (7.33, 3.16, 43.82 ppm): 6 chemical-shift based assignments, quality = 0.66, support = 3.54, residual support = 36.0: * HN ARG+ 84 - HD3 ARG+ 84 16.667% * 44.5259% (0.57 6.05 78.16) = 44.526% kept HZ PHE 34 - HD3 ARG+ 84 16.667% * 21.8622% (0.77 2.20 2.40) = 21.862% kept QD PHE 34 - HD3 ARG+ 84 16.667% * 11.6368% (0.65 1.37 2.40) = 11.637% kept QE PHE 34 - HD3 ARG+ 84 16.667% * 10.9642% (0.77 1.10 2.40) = 10.964% kept HZ2 TRP 51 - HD3 ARG+ 84 16.667% * 8.7039% (0.77 0.88 1.04) = 8.704% kept HN VAL 47 - HD3 ARG+ 84 16.667% * 2.3070% (0.60 0.30 0.02) = 2.307% kept Peak 4298 (4.28, 3.16, 43.82 ppm): 18 chemical-shift based assignments, quality = 0.728, support = 3.18, residual support = 46.5: * HA ARG+ 84 - HD3 ARG+ 84 5.556% * 57.5848% (0.74 4.45 78.16) = 57.585% kept HA SER 85 - HD3 ARG+ 84 5.556% * 22.3346% (0.74 1.73 5.63) = 22.335% kept HA VAL 122 - HD3 ARG+ 84 5.556% * 17.6658% (0.78 1.30 1.53) = 17.666% kept HA LEU 90 - HD3 ARG+ 84 5.556% * 0.2680% (0.77 0.02 0.02) = 0.268% HA VAL 94 - HD3 ARG+ 84 5.556% * 0.2638% (0.75 0.02 0.02) = 0.264% HA PRO 52 - HD3 ARG+ 84 5.556% * 0.2586% (0.74 0.02 0.02) = 0.259% HB3 CYS 121 - HD3 ARG+ 84 5.556% * 0.2371% (0.68 0.02 0.02) = 0.237% HA GLU- 56 - HD3 ARG+ 84 5.556% * 0.2089% (0.60 0.02 0.02) = 0.209% HA THR 106 - HD3 ARG+ 84 5.556% * 0.2089% (0.60 0.02 0.02) = 0.209% HA CYS 121 - HD3 ARG+ 84 5.556% * 0.1985% (0.57 0.02 0.02) = 0.199% HA GLU- 64 - HD3 ARG+ 84 5.556% * 0.1658% (0.47 0.02 0.02) = 0.166% HA GLU- 75 - HD3 ARG+ 84 5.556% * 0.1548% (0.44 0.02 0.02) = 0.155% HA ASP- 36 - HD3 ARG+ 84 5.556% * 0.1331% (0.38 0.02 0.02) = 0.133% HA ASN 119 - HD3 ARG+ 84 5.556% * 0.0760% (0.22 0.02 0.02) = 0.076% HA GLU- 107 - HD3 ARG+ 84 5.556% * 0.0760% (0.22 0.02 0.02) = 0.076% HA ASN 76 - HD3 ARG+ 84 5.556% * 0.0682% (0.19 0.02 0.02) = 0.068% HA ALA 11 - HD3 ARG+ 84 5.556% * 0.0541% (0.15 0.02 0.02) = 0.054% HB3 SER 49 - HD3 ARG+ 84 5.556% * 0.0428% (0.12 0.02 0.02) = 0.043% Peak 4299 (3.70, 1.66, 27.58 ppm): 9 chemical-shift based assignments, quality = 0.942, support = 2.52, residual support = 5.43: * T HA LYS+ 81 - HG3 ARG+ 84 11.111% * 47.6620% (0.97 10.00 2.65 6.94) = 47.662% kept T HB3 SER 69 - HG3 ARG+ 84 11.111% * 46.9263% (0.96 10.00 2.36 3.49) = 46.926% kept HB2 TRP 51 - HG2 PRO 52 11.111% * 2.7501% (0.26 1.00 4.38 16.86) = 2.750% kept HB2 TRP 51 - HG3 ARG+ 84 11.111% * 2.3649% (0.94 1.00 1.03 1.04) = 2.365% kept T HA LYS+ 81 - HG2 PRO 52 11.111% * 0.1300% (0.27 10.00 0.02 0.02) = 0.130% T HB3 SER 69 - HG2 PRO 52 11.111% * 0.1280% (0.26 10.00 0.02 0.02) = 0.128% HA LYS+ 81 - HG12 ILE 101 11.111% * 0.0131% (0.27 1.00 0.02 0.02) = 0.013% HB3 SER 69 - HG12 ILE 101 11.111% * 0.0129% (0.26 1.00 0.02 0.02) = 0.013% HB2 TRP 51 - HG12 ILE 101 11.111% * 0.0126% (0.26 1.00 0.02 3.22) = 0.013% Peak 4300 (3.70, 1.85, 31.57 ppm): 6 chemical-shift based assignments, quality = 0.118, support = 1.99, residual support = 4.51: HA LYS+ 81 - HB3 ARG+ 84 16.667% * 45.0374% (0.12 2.46 6.94) = 45.037% kept HB3 SER 69 - HB3 ARG+ 84 16.667% * 33.4319% (0.12 1.86 3.49) = 33.432% kept HB2 TRP 51 - HB3 ARG+ 84 16.667% * 21.2301% (0.12 1.20 1.04) = 21.230% kept HA LYS+ 81 - HB3 GLN 16 16.667% * 0.1019% (0.03 0.02 0.02) = 0.102% HB3 SER 69 - HB3 GLN 16 16.667% * 0.1003% (0.03 0.02 0.02) = 0.100% HB2 TRP 51 - HB3 GLN 16 16.667% * 0.0984% (0.03 0.02 0.30) = 0.098% Peak 4301 (7.33, 1.77, 27.63 ppm): 12 chemical-shift based assignments, quality = 0.785, support = 3.01, residual support = 31.7: * HN ARG+ 84 - HG2 ARG+ 84 8.333% * 38.8802% (0.67 5.20 78.16) = 38.880% kept QE PHE 34 - HG2 ARG+ 84 8.333% * 19.1816% (0.91 1.90 2.40) = 19.182% kept HZ PHE 34 - HG2 ARG+ 84 8.333% * 17.0661% (0.91 1.69 2.40) = 17.066% kept QD PHE 34 - HG2 ARG+ 84 8.333% * 14.7586% (0.77 1.72 2.40) = 14.759% kept HZ2 TRP 51 - HG2 ARG+ 84 8.333% * 8.9660% (0.91 0.89 1.04) = 8.966% kept HN VAL 47 - HG2 ARG+ 84 8.333% * 0.7443% (0.71 0.09 0.02) = 0.744% HZ2 TRP 51 - HG3 ARG+ 53 8.333% * 0.0750% (0.34 0.02 0.02) = 0.075% QE PHE 34 - HG3 ARG+ 53 8.333% * 0.0750% (0.34 0.02 0.02) = 0.075% HZ PHE 34 - HG3 ARG+ 53 8.333% * 0.0750% (0.34 0.02 0.02) = 0.075% QD PHE 34 - HG3 ARG+ 53 8.333% * 0.0639% (0.29 0.02 0.02) = 0.064% HN VAL 47 - HG3 ARG+ 53 8.333% * 0.0585% (0.26 0.02 0.02) = 0.059% HN ARG+ 84 - HG3 ARG+ 53 8.333% * 0.0556% (0.25 0.02 0.02) = 0.056% Peak 4302 (1.77, 1.77, 27.63 ppm): 2 diagonal assignments: * HG2 ARG+ 84 - HG2 ARG+ 84 (0.93) kept HG3 ARG+ 53 - HG3 ARG+ 53 (0.32) kept Peak 4303 (3.71, 1.77, 27.63 ppm): 8 chemical-shift based assignments, quality = 0.698, support = 1.23, residual support = 4.36: * HA LYS+ 81 - HG2 ARG+ 84 12.500% * 40.4537% (0.64 1.59 6.94) = 40.454% kept HB3 SER 69 - HG2 ARG+ 84 12.500% * 39.3149% (0.85 1.15 3.49) = 39.315% kept HB2 TRP 51 - HG2 ARG+ 84 12.500% * 17.4983% (0.56 0.78 1.04) = 17.498% kept HB3 SER 69 - HG3 ARG+ 53 12.500% * 2.0924% (0.32 0.16 0.02) = 2.092% kept HA LEU 43 - HG2 ARG+ 84 12.500% * 0.2066% (0.26 0.02 0.02) = 0.207% HA LYS+ 81 - HG3 ARG+ 53 12.500% * 0.1898% (0.24 0.02 0.02) = 0.190% HB2 TRP 51 - HG3 ARG+ 53 12.500% * 0.1676% (0.21 0.02 0.02) = 0.168% HA LEU 43 - HG3 ARG+ 53 12.500% * 0.0768% (0.10 0.02 0.02) = 0.077% Peak 4304 (4.30, 1.77, 27.63 ppm): 16 chemical-shift based assignments, quality = 0.359, support = 0.356, residual support = 0.435: HA VAL 122 - HG2 ARG+ 84 6.250% * 25.6588% (0.23 0.61 1.53) = 25.659% kept HA CYS 121 - HG2 ARG+ 84 6.250% * 18.7506% (0.60 0.17 0.02) = 18.751% kept HB3 CYS 121 - HG2 ARG+ 84 6.250% * 14.1085% (0.45 0.17 0.02) = 14.109% kept HA LEU 90 - HG3 ARG+ 53 6.250% * 13.4479% (0.11 0.70 0.23) = 13.448% kept HA VAL 122 - HG3 ARG+ 53 6.250% * 8.1529% (0.09 0.52 0.02) = 8.153% kept HA CYS 121 - HG3 ARG+ 53 6.250% * 3.3810% (0.22 0.08 0.02) = 3.381% kept HA ILE 29 - HG2 ARG+ 84 6.250% * 3.1804% (0.88 0.02 0.02) = 3.180% kept HA ASP- 36 - HG2 ARG+ 84 6.250% * 2.9164% (0.80 0.02 0.02) = 2.916% kept HA ALA 93 - HG2 ARG+ 84 6.250% * 2.6922% (0.74 0.02 0.02) = 2.692% kept HA THR 106 - HG2 ARG+ 84 6.250% * 2.0392% (0.56 0.02 0.02) = 2.039% kept HA ILE 29 - HG3 ARG+ 53 6.250% * 1.1824% (0.33 0.02 0.02) = 1.182% kept HA ASP- 36 - HG3 ARG+ 53 6.250% * 1.0843% (0.30 0.02 0.02) = 1.084% kept HA LEU 90 - HG2 ARG+ 84 6.250% * 1.0377% (0.29 0.02 0.02) = 1.038% kept HA ALA 93 - HG3 ARG+ 53 6.250% * 1.0009% (0.28 0.02 0.02) = 1.001% kept HA THR 106 - HG3 ARG+ 53 6.250% * 0.7582% (0.21 0.02 0.02) = 0.758% HB3 CYS 121 - HG3 ARG+ 53 6.250% * 0.6084% (0.17 0.02 0.02) = 0.608% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 4305 (3.71, 1.77, 31.53 ppm): 4 chemical-shift based assignments, quality = 0.188, support = 0.02, residual support = 0.02: HB3 SER 69 - HB3 GLU- 18 25.000% * 36.5717% (0.23 0.02 0.02) = 36.572% kept HA LYS+ 81 - HB3 GLU- 18 25.000% * 28.9608% (0.19 0.02 0.02) = 28.961% kept HB2 TRP 51 - HB3 GLU- 18 25.000% * 26.0307% (0.17 0.02 0.02) = 26.031% kept HA LEU 43 - HB3 GLU- 18 25.000% * 8.4368% (0.05 0.02 0.02) = 8.437% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 4306 (1.78, 1.77, 31.53 ppm): 1 diagonal assignment: HB3 GLU- 18 - HB3 GLU- 18 (0.24) kept Reference assignment not found: HB2 ARG+ 84 - HB2 ARG+ 84 Peak 4307 (3.18, 3.69, 59.64 ppm): 2 chemical-shift based assignments, quality = 0.936, support = 1.5, residual support = 6.91: * T HD3 ARG+ 84 - HA LYS+ 81 50.000% * 99.5655% (0.94 10.00 1.50 6.94) = 99.565% kept HB3 PHE 34 - HA LYS+ 81 50.000% * 0.4345% (0.82 1.00 0.08 0.02) = 0.435% Peak 4309 (0.82, 3.17, 43.84 ppm): 9 chemical-shift based assignments, quality = 0.803, support = 1.07, residual support = 1.68: * T QD2 LEU 17 - HD3 ARG+ 84 11.111% * 90.6970% (0.83 10.00 1.05 1.76) = 90.697% kept QD2 LEU 67 - HD3 ARG+ 84 11.111% * 8.4943% (0.58 1.00 1.40 0.99) = 8.494% kept QG1 VAL 94 - HD3 ARG+ 84 11.111% * 0.1732% (0.83 1.00 0.02 0.02) = 0.173% QD2 LEU 90 - HD3 ARG+ 84 11.111% * 0.1631% (0.78 1.00 0.02 0.02) = 0.163% QD1 ILE 29 - HD3 ARG+ 84 11.111% * 0.1415% (0.68 1.00 0.02 0.02) = 0.141% QG1 VAL 13 - HD3 ARG+ 84 11.111% * 0.1415% (0.68 1.00 0.02 0.02) = 0.141% HG2 LYS+ 117 - HD3 ARG+ 84 11.111% * 0.1000% (0.48 1.00 0.02 0.02) = 0.100% QG2 VAL 13 - HD3 ARG+ 84 11.111% * 0.0545% (0.26 1.00 0.02 0.02) = 0.055% QD1 ILE 100 - HD3 ARG+ 84 11.111% * 0.0350% (0.17 1.00 0.02 0.02) = 0.035% Peak 4310 (0.94, 3.69, 59.64 ppm): 10 chemical-shift based assignments, quality = 0.727, support = 1.13, residual support = 2.52: QG2 VAL 80 - HA LYS+ 81 10.000% * 21.3101% (0.32 2.57 9.98) = 21.310% kept QG2 VAL 73 - HA LYS+ 81 10.000% * 20.1245% (0.91 0.86 1.31) = 20.125% kept QG1 VAL 105 - HA LYS+ 81 10.000% * 18.6080% (0.82 0.88 0.31) = 18.608% kept QG2 VAL 105 - HA LYS+ 81 10.000% * 17.3416% (0.75 0.89 0.31) = 17.342% kept QG2 VAL 62 - HA LYS+ 81 10.000% * 12.8099% (0.94 0.53 0.12) = 12.810% kept QD1 LEU 17 - HA LYS+ 81 10.000% * 7.1379% (0.79 0.35 0.02) = 7.138% kept QG2 ILE 29 - HA LYS+ 81 10.000% * 1.9002% (0.89 0.08 0.02) = 1.900% kept QG2 VAL 99 - HA LYS+ 81 10.000% * 0.2945% (0.57 0.02 0.36) = 0.295% HG12 ILE 68 - HA LYS+ 81 10.000% * 0.2555% (0.49 0.02 0.02) = 0.255% HG3 LYS+ 110 - HA LYS+ 81 10.000% * 0.2177% (0.42 0.02 0.02) = 0.218% Peak 4311 (3.98, 0.93, 24.69 ppm): 6 chemical-shift based assignments, quality = 0.0995, support = 0.667, residual support = 0.814: T HB THR 95 - QD1 LEU 17 16.667% * 61.2572% (0.09 10.00 0.61 1.09) = 61.257% kept T HB THR 95 - QG2 VAL 40 16.667% * 14.7501% (0.11 10.00 0.11 0.02) = 14.750% kept HA THR 38 - QG2 VAL 40 16.667% * 13.8262% (0.07 1.00 1.75 0.90) = 13.826% kept HA1 GLY 92 - QD1 LEU 17 16.667% * 9.4325% (0.21 1.00 0.40 0.17) = 9.432% kept HA1 GLY 92 - QG2 VAL 40 16.667% * 0.6114% (0.27 1.00 0.02 0.02) = 0.611% HA THR 38 - QD1 LEU 17 16.667% * 0.1226% (0.05 1.00 0.02 0.02) = 0.123% Not enough quality. Peak unassigned. Peak 4312 (4.30, 0.93, 24.69 ppm): 24 chemical-shift based assignments, quality = 0.15, support = 0.742, residual support = 6.61: HA ILE 29 - QD1 LEU 17 4.167% * 38.3915% (0.17 1.37 17.13) = 38.391% kept HA ASP- 36 - QD1 LEU 17 4.167% * 16.9079% (0.21 0.49 0.02) = 16.908% kept HA CYS 121 - QD1 LEU 17 4.167% * 10.8533% (0.18 0.37 0.02) = 10.853% kept HB3 CYS 121 - QD1 LEU 17 4.167% * 8.6584% (0.15 0.36 0.02) = 8.658% kept HA ALA 93 - QD1 LEU 17 4.167% * 6.9099% (0.13 0.32 0.23) = 6.910% kept HA ARG+ 84 - QG2 VAL 40 4.167% * 5.3235% (0.06 0.53 0.02) = 5.324% kept HA PRO 52 - QG2 VAL 40 4.167% * 3.0397% (0.06 0.30 0.02) = 3.040% kept HA LEU 90 - QD1 LEU 17 4.167% * 1.8184% (0.10 0.11 0.17) = 1.818% kept HA VAL 94 - QG2 VAL 40 4.167% * 1.3246% (0.07 0.12 0.02) = 1.325% kept HA ASP- 36 - QG2 VAL 40 4.167% * 0.8871% (0.27 0.02 0.02) = 0.887% HA CYS 121 - QG2 VAL 40 4.167% * 0.7560% (0.23 0.02 0.02) = 0.756% HA ILE 29 - QG2 VAL 40 4.167% * 0.7247% (0.22 0.02 0.02) = 0.725% HA THR 106 - QG2 VAL 40 4.167% * 0.7247% (0.22 0.02 0.02) = 0.725% HB3 CYS 121 - QG2 VAL 40 4.167% * 0.6217% (0.19 0.02 0.02) = 0.622% HA THR 106 - QD1 LEU 17 4.167% * 0.5625% (0.17 0.02 0.02) = 0.562% HA ALA 93 - QG2 VAL 40 4.167% * 0.5489% (0.17 0.02 0.02) = 0.549% HA LEU 90 - QG2 VAL 40 4.167% * 0.4405% (0.13 0.02 0.02) = 0.441% HA VAL 122 - QG2 VAL 40 4.167% * 0.3721% (0.11 0.02 0.02) = 0.372% HA VAL 122 - QD1 LEU 17 4.167% * 0.2888% (0.09 0.02 0.02) = 0.289% HA SER 85 - QG2 VAL 40 4.167% * 0.2015% (0.06 0.02 0.02) = 0.201% HA VAL 94 - QD1 LEU 17 4.167% * 0.1752% (0.05 0.02 7.19) = 0.175% HA PRO 52 - QD1 LEU 17 4.167% * 0.1564% (0.05 0.02 2.64) = 0.156% HA SER 85 - QD1 LEU 17 4.167% * 0.1564% (0.05 0.02 0.02) = 0.156% * HA ARG+ 84 - QD1 LEU 17 4.167% * 0.1564% (0.05 0.02 1.76) = 0.156% Reference assignment eliminated. Peak 4313 (0.94, 4.28, 56.51 ppm): 60 chemical-shift based assignments, quality = 0.288, support = 0.464, residual support = 0.97: QD1 LEU 17 - HA ARG+ 84 1.667% * 40.6239% (0.38 0.88 1.76) = 40.624% kept QG2 ILE 29 - HA ASN 119 1.667% * 13.6316% (0.45 0.25 1.43) = 13.632% kept HG12 ILE 68 - HA ARG+ 84 1.667% * 13.4744% (0.24 0.46 0.41) = 13.474% kept QG2 VAL 105 - HA GLU- 107 1.667% * 2.2612% (0.14 0.14 0.11) = 2.261% kept QG1 VAL 105 - HA GLU- 107 1.667% * 2.2598% (0.15 0.13 0.11) = 2.260% kept HG3 LYS+ 110 - HA ARG+ 84 1.667% * 1.8877% (0.21 0.08 0.02) = 1.888% kept QD1 LEU 17 - HA GLU- 107 1.667% * 1.6614% (0.14 0.10 0.02) = 1.661% kept QG2 VAL 62 - HA ASN 119 1.667% * 1.1456% (0.48 0.02 0.02) = 1.146% kept QG2 VAL 73 - HA ASN 119 1.667% * 1.1081% (0.46 0.02 0.02) = 1.108% kept QG2 VAL 62 - HA ARG+ 84 1.667% * 1.1026% (0.46 0.02 0.02) = 1.103% kept QG2 VAL 73 - HA ARG+ 84 1.667% * 1.0664% (0.44 0.02 0.02) = 1.066% kept QG2 ILE 29 - HA ARG+ 84 1.667% * 1.0453% (0.44 0.02 0.02) = 1.045% kept QG2 VAL 62 - HA ASN 76 1.667% * 0.9994% (0.42 0.02 0.02) = 0.999% QG1 VAL 105 - HA ASN 119 1.667% * 0.9960% (0.42 0.02 0.02) = 0.996% QG2 VAL 73 - HA ASN 76 1.667% * 0.9666% (0.40 0.02 0.02) = 0.967% QD1 LEU 17 - HA ASN 119 1.667% * 0.9591% (0.40 0.02 0.02) = 0.959% QG1 VAL 105 - HA ARG+ 84 1.667% * 0.9585% (0.40 0.02 0.02) = 0.959% QG2 ILE 29 - HA ASN 76 1.667% * 0.9475% (0.39 0.02 0.02) = 0.947% QG2 VAL 105 - HA ASN 119 1.667% * 0.9194% (0.38 0.02 0.02) = 0.919% QG2 VAL 105 - HA ARG+ 84 1.667% * 0.8848% (0.37 0.02 0.02) = 0.885% QG1 VAL 105 - HA ASN 76 1.667% * 0.8688% (0.36 0.02 0.02) = 0.869% QD1 LEU 17 - HA ASN 76 1.667% * 0.8366% (0.35 0.02 0.02) = 0.837% QG2 VAL 105 - HA ASN 76 1.667% * 0.8020% (0.33 0.02 0.02) = 0.802% QG2 VAL 99 - HA ASN 119 1.667% * 0.6964% (0.29 0.02 0.02) = 0.696% QG2 VAL 99 - HA ARG+ 84 1.667% * 0.6702% (0.28 0.02 0.02) = 0.670% QG2 VAL 99 - HA ASN 76 1.667% * 0.6075% (0.25 0.02 0.02) = 0.608% HG12 ILE 68 - HA ASN 119 1.667% * 0.6041% (0.25 0.02 0.54) = 0.604% HG12 ILE 68 - HA ASN 76 1.667% * 0.5270% (0.22 0.02 0.02) = 0.527% HG3 LYS+ 110 - HA ASN 119 1.667% * 0.5148% (0.21 0.02 0.02) = 0.515% HG3 LYS+ 110 - HA ASN 76 1.667% * 0.4491% (0.19 0.02 0.02) = 0.449% QG2 VAL 62 - HA GLU- 107 1.667% * 0.4103% (0.17 0.02 0.02) = 0.410% QG2 VAL 73 - HA GLU- 107 1.667% * 0.3968% (0.17 0.02 0.12) = 0.397% QG2 VAL 80 - HA ASN 119 1.667% * 0.3917% (0.16 0.02 0.02) = 0.392% QG2 ILE 29 - HA GLU- 107 1.667% * 0.3890% (0.16 0.02 0.02) = 0.389% QG2 VAL 80 - HA ARG+ 84 1.667% * 0.3769% (0.16 0.02 0.02) = 0.377% QG2 VAL 80 - HA ASN 76 1.667% * 0.3417% (0.14 0.02 0.02) = 0.342% QG2 VAL 99 - HA GLU- 107 1.667% * 0.2494% (0.10 0.02 0.02) = 0.249% HG12 ILE 68 - HA GLU- 107 1.667% * 0.2163% (0.09 0.02 0.02) = 0.216% HG3 LYS+ 110 - HA GLU- 107 1.667% * 0.1843% (0.08 0.02 0.02) = 0.184% QG2 VAL 80 - HA GLU- 107 1.667% * 0.1403% (0.06 0.02 0.02) = 0.140% QG2 VAL 62 - HA GLU- 10 1.667% * 0.0990% (0.04 0.02 0.02) = 0.099% QG2 VAL 73 - HA GLU- 10 1.667% * 0.0957% (0.04 0.02 0.02) = 0.096% QG2 VAL 62 - HA LYS+ 108 1.667% * 0.0952% (0.04 0.02 0.02) = 0.095% QG2 ILE 29 - HA GLU- 10 1.667% * 0.0939% (0.04 0.02 0.02) = 0.094% QG2 VAL 73 - HA LYS+ 108 1.667% * 0.0921% (0.04 0.02 0.02) = 0.092% QG2 ILE 29 - HA LYS+ 108 1.667% * 0.0903% (0.04 0.02 0.02) = 0.090% QG1 VAL 105 - HA GLU- 10 1.667% * 0.0861% (0.04 0.02 0.02) = 0.086% QD1 LEU 17 - HA GLU- 10 1.667% * 0.0829% (0.03 0.02 0.02) = 0.083% QG1 VAL 105 - HA LYS+ 108 1.667% * 0.0828% (0.03 0.02 0.02) = 0.083% QD1 LEU 17 - HA LYS+ 108 1.667% * 0.0797% (0.03 0.02 0.02) = 0.080% QG2 VAL 105 - HA GLU- 10 1.667% * 0.0794% (0.03 0.02 0.02) = 0.079% QG2 VAL 105 - HA LYS+ 108 1.667% * 0.0764% (0.03 0.02 0.02) = 0.076% QG2 VAL 99 - HA GLU- 10 1.667% * 0.0602% (0.03 0.02 0.02) = 0.060% QG2 VAL 99 - HA LYS+ 108 1.667% * 0.0579% (0.02 0.02 0.02) = 0.058% HG12 ILE 68 - HA GLU- 10 1.667% * 0.0522% (0.02 0.02 0.02) = 0.052% HG12 ILE 68 - HA LYS+ 108 1.667% * 0.0502% (0.02 0.02 0.02) = 0.050% HG3 LYS+ 110 - HA GLU- 10 1.667% * 0.0445% (0.02 0.02 0.02) = 0.044% HG3 LYS+ 110 - HA LYS+ 108 1.667% * 0.0428% (0.02 0.02 0.39) = 0.043% QG2 VAL 80 - HA GLU- 10 1.667% * 0.0338% (0.01 0.02 0.02) = 0.034% QG2 VAL 80 - HA LYS+ 108 1.667% * 0.0326% (0.01 0.02 0.02) = 0.033% Peak 4314 (0.82, 4.28, 56.51 ppm): 54 chemical-shift based assignments, quality = 0.413, support = 0.764, residual support = 1.4: T QD2 LEU 17 - HA ARG+ 84 1.852% * 71.7685% (0.45 10.00 0.90 1.76) = 71.769% kept QD1 ILE 29 - HA ASN 119 1.852% * 5.1191% (0.38 1.00 0.75 1.43) = 5.119% kept QD2 LEU 67 - HA ARG+ 84 1.852% * 5.0540% (0.32 1.00 0.90 0.99) = 5.054% kept QG1 VAL 13 - HA ASN 119 1.852% * 3.8119% (0.38 1.00 0.56 0.34) = 3.812% kept T QG1 VAL 94 - HA GLU- 107 1.852% * 2.4518% (0.17 10.00 0.08 0.02) = 2.452% kept T QG1 VAL 94 - HA ASN 119 1.852% * 1.6657% (0.47 10.00 0.02 0.02) = 1.666% kept QD2 LEU 67 - HA ASN 119 1.852% * 1.6441% (0.33 1.00 0.28 0.02) = 1.644% kept T QG1 VAL 94 - HA ARG+ 84 1.852% * 1.6030% (0.45 10.00 0.02 0.02) = 1.603% kept T QD2 LEU 90 - HA ARG+ 84 1.852% * 1.5097% (0.43 10.00 0.02 0.02) = 1.510% kept T QG1 VAL 94 - HA ASN 76 1.852% * 1.4530% (0.41 10.00 0.02 0.02) = 1.453% kept QG2 VAL 13 - HA ASN 119 1.852% * 1.4253% (0.15 1.00 0.54 0.34) = 1.425% kept QG2 VAL 13 - HA ASN 76 1.852% * 0.2471% (0.13 1.00 0.11 0.02) = 0.247% QD2 LEU 17 - HA ASN 119 1.852% * 0.1666% (0.47 1.00 0.02 0.02) = 0.167% QD2 LEU 90 - HA ASN 119 1.852% * 0.1569% (0.44 1.00 0.02 0.02) = 0.157% QD2 LEU 17 - HA ASN 76 1.852% * 0.1453% (0.41 1.00 0.02 0.02) = 0.145% QD2 LEU 90 - HA ASN 76 1.852% * 0.1368% (0.39 1.00 0.02 0.02) = 0.137% QD1 ILE 100 - HA GLU- 107 1.852% * 0.1334% (0.03 1.00 0.22 0.02) = 0.133% QD1 ILE 29 - HA ARG+ 84 1.852% * 0.1310% (0.37 1.00 0.02 0.02) = 0.131% QG1 VAL 13 - HA ARG+ 84 1.852% * 0.1310% (0.37 1.00 0.02 0.02) = 0.131% QG1 VAL 13 - HA ASN 76 1.852% * 0.1187% (0.33 1.00 0.02 0.02) = 0.119% QD1 ILE 29 - HA ASN 76 1.852% * 0.1187% (0.33 1.00 0.02 0.02) = 0.119% QD2 LEU 67 - HA ASN 76 1.852% * 0.1018% (0.29 1.00 0.02 0.02) = 0.102% HG2 LYS+ 117 - HA ASN 119 1.852% * 0.0962% (0.27 1.00 0.02 0.02) = 0.096% HG2 LYS+ 117 - HA ARG+ 84 1.852% * 0.0926% (0.26 1.00 0.02 0.02) = 0.093% HG2 LYS+ 117 - HA ASN 76 1.852% * 0.0839% (0.24 1.00 0.02 0.02) = 0.084% QD2 LEU 17 - HA GLU- 107 1.852% * 0.0597% (0.17 1.00 0.02 0.02) = 0.060% QD2 LEU 90 - HA GLU- 107 1.852% * 0.0562% (0.16 1.00 0.02 0.02) = 0.056% QG2 VAL 13 - HA ARG+ 84 1.852% * 0.0505% (0.14 1.00 0.02 0.02) = 0.050% QG1 VAL 13 - HA GLU- 107 1.852% * 0.0487% (0.14 1.00 0.02 0.02) = 0.049% QD1 ILE 29 - HA GLU- 107 1.852% * 0.0487% (0.14 1.00 0.02 0.02) = 0.049% QD2 LEU 67 - HA GLU- 107 1.852% * 0.0418% (0.12 1.00 0.02 0.02) = 0.042% HG2 LYS+ 117 - HA GLU- 107 1.852% * 0.0345% (0.10 1.00 0.02 0.02) = 0.034% QD1 ILE 100 - HA ASN 119 1.852% * 0.0336% (0.09 1.00 0.02 0.02) = 0.034% QD1 ILE 100 - HA ARG+ 84 1.852% * 0.0324% (0.09 1.00 0.02 0.02) = 0.032% QD1 ILE 100 - HA ASN 76 1.852% * 0.0293% (0.08 1.00 0.02 0.02) = 0.029% QG2 VAL 13 - HA GLU- 107 1.852% * 0.0188% (0.05 1.00 0.02 0.02) = 0.019% QD2 LEU 17 - HA GLU- 10 1.852% * 0.0144% (0.04 1.00 0.02 0.02) = 0.014% QG1 VAL 94 - HA GLU- 10 1.852% * 0.0144% (0.04 1.00 0.02 0.02) = 0.014% QG1 VAL 94 - HA LYS+ 108 1.852% * 0.0138% (0.04 1.00 0.02 0.02) = 0.014% QD2 LEU 17 - HA LYS+ 108 1.852% * 0.0138% (0.04 1.00 0.02 0.02) = 0.014% QD2 LEU 90 - HA GLU- 10 1.852% * 0.0136% (0.04 1.00 0.02 0.02) = 0.014% QD2 LEU 90 - HA LYS+ 108 1.852% * 0.0130% (0.04 1.00 0.02 0.02) = 0.013% QG1 VAL 13 - HA GLU- 10 1.852% * 0.0118% (0.03 1.00 0.02 0.02) = 0.012% QD1 ILE 29 - HA GLU- 10 1.852% * 0.0118% (0.03 1.00 0.02 0.02) = 0.012% QG1 VAL 13 - HA LYS+ 108 1.852% * 0.0113% (0.03 1.00 0.02 0.02) = 0.011% QD1 ILE 29 - HA LYS+ 108 1.852% * 0.0113% (0.03 1.00 0.02 0.02) = 0.011% QD2 LEU 67 - HA GLU- 10 1.852% * 0.0101% (0.03 1.00 0.02 0.02) = 0.010% QD2 LEU 67 - HA LYS+ 108 1.852% * 0.0097% (0.03 1.00 0.02 0.02) = 0.010% HG2 LYS+ 117 - HA GLU- 10 1.852% * 0.0083% (0.02 1.00 0.02 0.02) = 0.008% HG2 LYS+ 117 - HA LYS+ 108 1.852% * 0.0080% (0.02 1.00 0.02 0.02) = 0.008% QG2 VAL 13 - HA GLU- 10 1.852% * 0.0045% (0.01 1.00 0.02 0.02) = 0.005% QG2 VAL 13 - HA LYS+ 108 1.852% * 0.0044% (0.01 1.00 0.02 0.02) = 0.004% QD1 ILE 100 - HA GLU- 10 1.852% * 0.0029% (0.01 1.00 0.02 0.02) = 0.003% QD1 ILE 100 - HA LYS+ 108 1.852% * 0.0028% (0.01 1.00 0.02 0.02) = 0.003% Peak 4315 (4.21, 4.22, 56.75 ppm): 3 diagonal assignments: HA GLU- 12 - HA GLU- 12 (0.66) kept HA GLU- 10 - HA GLU- 10 (0.17) kept HA LYS+ 108 - HA LYS+ 108 (0.17) kept Reference assignment not found: HA GLU- 75 - HA GLU- 75 Peak 4319 (8.09, 4.22, 56.75 ppm): 56 chemical-shift based assignments, quality = 0.318, support = 1.86, residual support = 9.88: * O HN GLU- 75 - HA GLU- 75 1.786% * 40.1869% (0.07 10.0 3.39 24.21) = 40.187% kept HN LYS+ 110 - HA LYS+ 108 1.786% * 25.4850% (0.65 1.0 1.27 0.39) = 25.485% kept HN LYS+ 110 - HA GLU- 12 1.786% * 12.2683% (0.59 1.0 0.68 0.02) = 12.268% kept HN CYS 121 - HA GLU- 12 1.786% * 3.7925% (0.59 1.0 0.21 0.02) = 3.792% kept HN MET 118 - HA GLU- 12 1.786% * 3.7806% (0.16 1.0 0.75 0.65) = 3.781% kept HN GLU- 75 - HA GLU- 12 1.786% * 3.7244% (0.55 1.0 0.22 0.02) = 3.724% kept HN GLU- 75 - HA ASN 76 1.786% * 2.8795% (0.08 1.0 1.18 0.02) = 2.879% kept HN ASN 15 - HA GLU- 12 1.786% * 1.9337% (0.09 1.0 0.71 1.19) = 1.934% kept HN MET 118 - HA ASN 119 1.786% * 0.6937% (0.03 1.0 0.71 0.02) = 0.694% HN CYS 121 - HA GLU- 10 1.786% * 0.4058% (0.66 1.0 0.02 0.02) = 0.406% HN LYS+ 110 - HA GLU- 10 1.786% * 0.4058% (0.66 1.0 0.02 0.02) = 0.406% HN CYS 121 - HA LYS+ 108 1.786% * 0.4021% (0.65 1.0 0.02 0.02) = 0.402% HN VAL 122 - HA GLU- 10 1.786% * 0.3779% (0.61 1.0 0.02 0.02) = 0.378% HN GLU- 75 - HA GLU- 10 1.786% * 0.3779% (0.61 1.0 0.02 0.02) = 0.378% HN GLU- 75 - HA LYS+ 108 1.786% * 0.3745% (0.61 1.0 0.02 0.02) = 0.374% HN VAL 122 - HA LYS+ 108 1.786% * 0.3745% (0.61 1.0 0.02 0.02) = 0.374% HN VAL 122 - HA GLU- 12 1.786% * 0.3382% (0.55 1.0 0.02 0.02) = 0.338% HN LYS+ 110 - HA GLU- 107 1.786% * 0.1733% (0.28 1.0 0.02 0.02) = 0.173% HN CYS 121 - HA GLU- 107 1.786% * 0.1733% (0.28 1.0 0.02 0.02) = 0.173% HN GLU- 75 - HA GLU- 107 1.786% * 0.1614% (0.26 1.0 0.02 0.02) = 0.161% HN VAL 122 - HA GLU- 107 1.786% * 0.1614% (0.26 1.0 0.02 0.02) = 0.161% HN MET 118 - HA GLU- 10 1.786% * 0.1128% (0.18 1.0 0.02 0.02) = 0.113% HN MET 118 - HA LYS+ 108 1.786% * 0.1118% (0.18 1.0 0.02 0.02) = 0.112% HN SER 88 - HA GLU- 10 1.786% * 0.0792% (0.13 1.0 0.02 0.02) = 0.079% HN SER 88 - HA LYS+ 108 1.786% * 0.0785% (0.13 1.0 0.02 0.02) = 0.079% HN SER 88 - HA GLU- 12 1.786% * 0.0709% (0.12 1.0 0.02 0.02) = 0.071% HN LYS+ 110 - HA ASN 119 1.786% * 0.0701% (0.11 1.0 0.02 0.02) = 0.070% HN CYS 121 - HA ASN 119 1.786% * 0.0701% (0.11 1.0 0.02 0.02) = 0.070% HN GLU- 75 - HA ASN 119 1.786% * 0.0653% (0.11 1.0 0.02 0.02) = 0.065% HN VAL 122 - HA ASN 119 1.786% * 0.0653% (0.11 1.0 0.02 0.02) = 0.065% HN ASN 15 - HA GLU- 10 1.786% * 0.0612% (0.10 1.0 0.02 0.02) = 0.061% HN ASN 15 - HA LYS+ 108 1.786% * 0.0607% (0.10 1.0 0.02 0.02) = 0.061% HN CYS 121 - HA ASN 76 1.786% * 0.0524% (0.09 1.0 0.02 0.02) = 0.052% HN LYS+ 110 - HA ASN 76 1.786% * 0.0524% (0.09 1.0 0.02 0.02) = 0.052% HN VAL 122 - HA ASN 76 1.786% * 0.0488% (0.08 1.0 0.02 0.02) = 0.049% HN MET 118 - HA GLU- 107 1.786% * 0.0482% (0.08 1.0 0.02 0.02) = 0.048% HN LYS+ 110 - HA GLU- 64 1.786% * 0.0470% (0.08 1.0 0.02 0.02) = 0.047% HN CYS 121 - HA GLU- 64 1.786% * 0.0470% (0.08 1.0 0.02 0.02) = 0.047% HN GLU- 75 - HA GLU- 64 1.786% * 0.0438% (0.07 1.0 0.02 0.02) = 0.044% HN VAL 122 - HA GLU- 64 1.786% * 0.0438% (0.07 1.0 0.02 0.02) = 0.044% HN CYS 121 - HA GLU- 75 1.786% * 0.0431% (0.07 1.0 0.02 0.02) = 0.043% HN LYS+ 110 - HA GLU- 75 1.786% * 0.0431% (0.07 1.0 0.02 0.02) = 0.043% HN VAL 122 - HA GLU- 75 1.786% * 0.0402% (0.07 1.0 0.02 0.02) = 0.040% HN SER 88 - HA GLU- 107 1.786% * 0.0338% (0.05 1.0 0.02 0.02) = 0.034% HN ASN 15 - HA GLU- 107 1.786% * 0.0262% (0.04 1.0 0.02 0.02) = 0.026% HN MET 118 - HA ASN 76 1.786% * 0.0146% (0.02 1.0 0.02 0.02) = 0.015% HN SER 88 - HA ASN 119 1.786% * 0.0137% (0.02 1.0 0.02 0.02) = 0.014% HN MET 118 - HA GLU- 64 1.786% * 0.0131% (0.02 1.0 0.02 0.02) = 0.013% HN MET 118 - HA GLU- 75 1.786% * 0.0120% (0.02 1.0 0.02 0.02) = 0.012% HN ASN 15 - HA ASN 119 1.786% * 0.0106% (0.02 1.0 0.02 0.95) = 0.011% HN SER 88 - HA ASN 76 1.786% * 0.0102% (0.02 1.0 0.02 0.02) = 0.010% HN SER 88 - HA GLU- 64 1.786% * 0.0092% (0.01 1.0 0.02 0.02) = 0.009% HN SER 88 - HA GLU- 75 1.786% * 0.0084% (0.01 1.0 0.02 0.02) = 0.008% HN ASN 15 - HA ASN 76 1.786% * 0.0079% (0.01 1.0 0.02 0.02) = 0.008% HN ASN 15 - HA GLU- 64 1.786% * 0.0071% (0.01 1.0 0.02 0.02) = 0.007% HN ASN 15 - HA GLU- 75 1.786% * 0.0065% (0.01 1.0 0.02 0.02) = 0.007% Peak 4322 (8.10, 2.01, 30.52 ppm): 30 chemical-shift based assignments, quality = 0.187, support = 2.15, residual support = 13.5: O HN GLU- 75 - HB3 GLU- 75 3.333% * 55.8674% (0.07 10.0 3.42 24.21) = 55.867% kept HN GLU- 75 - HB2 HIS+ 14 3.333% * 12.2886% (0.34 1.0 0.90 0.13) = 12.289% kept HN LYS+ 110 - HB2 HIS+ 14 3.333% * 11.0446% (0.41 1.0 0.68 0.02) = 11.045% kept HN CYS 121 - HB2 HIS+ 14 3.333% * 9.0314% (0.41 1.0 0.55 0.02) = 9.031% kept HN SER 88 - HB2 HIS+ 14 3.333% * 4.4541% (0.52 1.0 0.22 0.02) = 4.454% kept HN VAL 122 - HB3 GLU- 107 3.333% * 0.7539% (0.95 1.0 0.02 0.02) = 0.754% HN VAL 122 - HB2 HIS+ 14 3.333% * 0.7147% (0.90 1.0 0.02 0.02) = 0.715% HN VAL 122 - HB3 GLU- 75 3.333% * 0.7033% (0.18 1.0 0.10 0.02) = 0.703% HN VAL 122 - HB3 GLU- 10 3.333% * 0.6958% (0.87 1.0 0.02 0.02) = 0.696% HN CYS 121 - HB3 GLU- 75 3.333% * 0.6099% (0.08 1.0 0.18 0.02) = 0.610% HN SER 88 - HB3 GLU- 107 3.333% * 0.4355% (0.55 1.0 0.02 0.02) = 0.435% HN SER 88 - HB3 GLU- 10 3.333% * 0.4019% (0.51 1.0 0.02 0.02) = 0.402% HN LYS+ 110 - HB3 GLU- 107 3.333% * 0.3448% (0.43 1.0 0.02 0.02) = 0.345% HN CYS 121 - HB3 GLU- 107 3.333% * 0.3448% (0.43 1.0 0.02 0.02) = 0.345% HN CYS 121 - HB3 GLU- 10 3.333% * 0.3182% (0.40 1.0 0.02 0.02) = 0.318% HN LYS+ 110 - HB3 GLU- 10 3.333% * 0.3182% (0.40 1.0 0.02 0.02) = 0.318% HN GLY 26 - HB3 GLU- 107 3.333% * 0.2887% (0.36 1.0 0.02 0.02) = 0.289% HN GLU- 75 - HB3 GLU- 107 3.333% * 0.2887% (0.36 1.0 0.02 0.02) = 0.289% HN GLY 26 - HB2 HIS+ 14 3.333% * 0.2737% (0.34 1.0 0.02 0.02) = 0.274% HN GLY 26 - HB3 GLU- 10 3.333% * 0.2664% (0.33 1.0 0.02 0.02) = 0.266% HN GLU- 75 - HB3 GLU- 10 3.333% * 0.2664% (0.33 1.0 0.02 0.02) = 0.266% HN SER 88 - HB3 GLU- 75 3.333% * 0.0843% (0.11 1.0 0.02 0.02) = 0.084% HN LYS+ 110 - HB3 GLU- 75 3.333% * 0.0667% (0.08 1.0 0.02 0.02) = 0.067% HN GLY 26 - HB3 GLU- 75 3.333% * 0.0559% (0.07 1.0 0.02 0.02) = 0.056% HN VAL 122 - HB3 GLU- 56 3.333% * 0.0252% (0.03 1.0 0.02 0.02) = 0.025% HN SER 88 - HB3 GLU- 56 3.333% * 0.0146% (0.02 1.0 0.02 0.02) = 0.015% HN LYS+ 110 - HB3 GLU- 56 3.333% * 0.0115% (0.01 1.0 0.02 0.02) = 0.012% HN CYS 121 - HB3 GLU- 56 3.333% * 0.0115% (0.01 1.0 0.02 0.02) = 0.012% HN GLY 26 - HB3 GLU- 56 3.333% * 0.0096% (0.01 1.0 0.02 0.02) = 0.010% HN GLU- 75 - HB3 GLU- 56 3.333% * 0.0096% (0.01 1.0 0.02 0.02) = 0.010% Peak 4323 (8.10, 2.20, 31.75 ppm): 12 chemical-shift based assignments, quality = 0.0701, support = 3.27, residual support = 23.1: O HN GLU- 75 - HB3 GLU- 75 8.333% * 95.5718% (0.07 10.0 3.42 24.21) = 95.572% kept HN VAL 122 - HB3 GLU- 75 8.333% * 1.2032% (0.18 1.0 0.10 0.02) = 1.203% kept HN CYS 121 - HB3 GLU- 75 8.333% * 1.0433% (0.08 1.0 0.18 0.02) = 1.043% kept HN CYS 121 - HB2 PRO 52 8.333% * 0.7134% (0.13 1.0 0.08 0.02) = 0.713% HN VAL 122 - HB2 PRO 52 8.333% * 0.3979% (0.29 1.0 0.02 1.58) = 0.398% HN SER 88 - HB2 PRO 52 8.333% * 0.2298% (0.17 1.0 0.02 0.02) = 0.230% HN LYS+ 110 - HB2 PRO 52 8.333% * 0.1820% (0.13 1.0 0.02 0.02) = 0.182% HN GLY 26 - HB2 PRO 52 8.333% * 0.1523% (0.11 1.0 0.02 0.02) = 0.152% HN GLU- 75 - HB2 PRO 52 8.333% * 0.1523% (0.11 1.0 0.02 0.02) = 0.152% HN SER 88 - HB3 GLU- 75 8.333% * 0.1442% (0.11 1.0 0.02 0.02) = 0.144% HN LYS+ 110 - HB3 GLU- 75 8.333% * 0.1142% (0.08 1.0 0.02 0.02) = 0.114% HN GLY 26 - HB3 GLU- 75 8.333% * 0.0956% (0.07 1.0 0.02 0.02) = 0.096% Reference assignment not found: HN GLU- 75 - HB2 GLU- 75 Peak 4324 (8.82, 1.96, 35.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 4325 (8.84, 2.04, 35.72 ppm): 4 chemical-shift based assignments, quality = 0.101, support = 1.73, residual support = 3.39: O HN LYS+ 32 - HB3 PRO 31 25.000% * 95.4448% (0.10 10.0 1.79 3.55) = 95.445% kept HN LYS+ 60 - HB3 PRO 31 25.000% * 4.4363% (0.14 1.0 0.57 0.02) = 4.436% kept HN ASN 57 - HB3 PRO 31 25.000% * 0.0834% (0.08 1.0 0.02 0.02) = 0.083% HN ILE 68 - HB3 PRO 31 25.000% * 0.0355% (0.03 1.0 0.02 0.02) = 0.036% Not enough quality. Peak unassigned. Peak 4326 (4.80, 2.91, 41.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 4327 (4.80, 2.76, 41.87 ppm): 4 chemical-shift based assignments, quality = 0.309, support = 2.35, residual support = 4.62: HA LEU 23 - HB3 ASP- 115 25.000% * 71.5709% (0.37 2.42 5.68) = 71.571% kept HA ASN 15 - HB3 ASP- 115 25.000% * 27.6714% (0.16 2.23 2.00) = 27.671% kept HA GLU- 18 - HB3 ASP- 115 25.000% * 0.3911% (0.25 0.02 0.02) = 0.391% HB THR 39 - HB3 ASP- 115 25.000% * 0.3667% (0.23 0.02 0.02) = 0.367% Peak 4328 (2.62, 1.03, 24.97 ppm): 6 chemical-shift based assignments, quality = 0.976, support = 2.24, residual support = 34.4: * O T HE3 LYS+ 20 - HG3 LYS+ 20 16.667% * 99.7531% (0.98 10.0 10.00 2.25 34.46) = 99.753% kept HB2 ASP- 25 - HG3 LYS+ 20 16.667% * 0.1018% (1.00 1.0 1.00 0.02 0.02) = 0.102% HB2 PHE 34 - HG3 LYS+ 20 16.667% * 0.0617% (0.61 1.0 1.00 0.02 0.26) = 0.062% HG2 MET 118 - HG3 LYS+ 20 16.667% * 0.0495% (0.49 1.0 1.00 0.02 0.02) = 0.050% HB3 ASP- 82 - HG3 LYS+ 20 16.667% * 0.0201% (0.20 1.0 1.00 0.02 0.02) = 0.020% HB3 ASP- 36 - HG3 LYS+ 20 16.667% * 0.0138% (0.14 1.0 1.00 0.02 0.02) = 0.014% Peak 4329 (0.71, 0.70, 21.72 ppm): 2 diagonal assignments: * QG2 THR 96 - QG2 THR 96 (0.52) kept QG2 VAL 94 - QG2 VAL 94 (0.24) kept Peak 4330 (8.78, 0.69, 14.34 ppm): 4 chemical-shift based assignments, quality = 0.811, support = 4.41, residual support = 26.9: HN THR 95 - QD1 ILE 19 25.000% * 56.0911% (0.94 4.91 34.03) = 56.091% kept * HN PHE 34 - QD1 ILE 19 25.000% * 35.4926% (0.64 4.54 22.00) = 35.493% kept HN SER 69 - QD1 ILE 19 25.000% * 5.7026% (0.79 0.59 0.13) = 5.703% kept HN VAL 62 - QD1 ILE 19 25.000% * 2.7138% (0.44 0.50 0.12) = 2.714% kept Peak 4331 (8.60, 0.69, 14.34 ppm): 4 chemical-shift based assignments, quality = 0.934, support = 5.51, residual support = 39.2: * HN LYS+ 20 - QD1 ILE 19 25.000% * 86.4539% (0.99 6.22 45.32) = 86.454% kept HN THR 39 - QD1 ILE 19 25.000% * 9.4964% (0.60 1.12 0.14) = 9.496% kept HN VAL 80 - QD1 ILE 19 25.000% * 3.9353% (0.56 0.50 0.02) = 3.935% kept HN VAL 73 - QD1 ILE 19 25.000% * 0.1145% (0.41 0.02 0.02) = 0.114% Peak 4332 (6.88, 0.69, 14.34 ppm): 4 chemical-shift based assignments, quality = 0.761, support = 1.59, residual support = 3.52: QD PHE 21 - QD1 ILE 19 25.000% * 61.0044% (0.91 1.79 4.21) = 61.004% kept * HZ PHE 21 - QD1 ILE 19 25.000% * 22.5240% (0.31 1.98 4.21) = 22.524% kept HD21 ASN 119 - QD1 ILE 19 25.000% * 10.6751% (0.99 0.29 0.02) = 10.675% kept HD22 ASN 15 - QD1 ILE 19 25.000% * 5.7965% (0.52 0.30 0.02) = 5.797% kept Peak 4333 (7.33, 0.69, 14.34 ppm): 6 chemical-shift based assignments, quality = 0.913, support = 3.71, residual support = 20.0: QD PHE 34 - QD1 ILE 19 16.667% * 31.6873% (0.79 4.80 22.00) = 31.687% kept HZ PHE 34 - QD1 ILE 19 16.667% * 30.6147% (0.98 3.75 22.00) = 30.615% kept * QE PHE 34 - QD1 ILE 19 16.667% * 28.2148% (0.98 3.46 22.00) = 28.215% kept HZ2 TRP 51 - QD1 ILE 19 16.667% * 6.9578% (0.98 0.85 0.48) = 6.958% kept HN VAL 47 - QD1 ILE 19 16.667% * 1.2866% (0.72 0.22 0.02) = 1.287% kept HN ARG+ 84 - QD1 ILE 19 16.667% * 1.2387% (0.68 0.22 0.02) = 1.239% kept Peak 4334 (8.78, 0.02, 16.86 ppm): 4 chemical-shift based assignments, quality = 0.878, support = 5.37, residual support = 29.0: HN THR 95 - QG2 ILE 19 25.000% * 77.4331% (0.96 6.36 34.03) = 77.433% kept * HN PHE 34 - QG2 ILE 19 25.000% * 11.9468% (0.31 3.07 22.00) = 11.947% kept HN SER 69 - QG2 ILE 19 25.000% * 9.2980% (1.00 0.74 0.13) = 9.298% kept HN VAL 62 - QG2 ILE 19 25.000% * 1.3221% (0.17 0.60 0.12) = 1.322% kept Peak 4335 (8.82, 1.76, 31.52 ppm): 3 chemical-shift based assignments, quality = 0.182, support = 0.912, residual support = 2.18: * HN LYS+ 32 - HB3 GLU- 18 33.333% * 78.4057% (0.18 1.09 2.77) = 78.406% kept HN LYS+ 60 - HB3 GLU- 18 33.333% * 20.2193% (0.18 0.29 0.02) = 20.219% kept HN ASN 57 - HB3 GLU- 18 33.333% * 1.3750% (0.17 0.02 0.02) = 1.375% kept Not enough quality. Peak unassigned. Peak 4336 (8.82, 2.02, 31.51 ppm): 9 chemical-shift based assignments, quality = 0.331, support = 0.827, residual support = 0.587: HN LYS+ 60 - HB3 GLU- 75 11.111% * 37.4240% (0.39 1.22 0.18) = 37.424% kept * HN LYS+ 32 - HB2 GLU- 18 11.111% * 18.4748% (0.25 0.95 2.77) = 18.475% kept HN ASN 57 - HB3 GLU- 75 11.111% * 15.2397% (0.38 0.51 0.02) = 15.240% kept HN LYS+ 60 - HB3 GLU- 64 11.111% * 10.8131% (0.25 0.55 0.02) = 10.813% kept HN LYS+ 32 - HB3 GLU- 75 11.111% * 8.8094% (0.40 0.28 0.02) = 8.809% kept HN LYS+ 60 - HB2 GLU- 18 11.111% * 8.0759% (0.24 0.43 0.02) = 8.076% kept HN LYS+ 32 - HB3 GLU- 64 11.111% * 0.4055% (0.26 0.02 0.02) = 0.405% HN ASN 57 - HB3 GLU- 64 11.111% * 0.3870% (0.25 0.02 0.02) = 0.387% HN ASN 57 - HB2 GLU- 18 11.111% * 0.3707% (0.24 0.02 0.02) = 0.371% Peak 4338 (4.86, 2.02, 27.60 ppm): 12 chemical-shift based assignments, quality = 0.872, support = 2.72, residual support = 10.5: HA ASP- 115 - HG2 PRO 116 8.333% * 91.3065% (0.93 2.94 11.49) = 91.307% kept HA THR 96 - HG3 PRO 86 8.333% * 3.3007% (0.29 0.34 0.02) = 3.301% kept HA ASP- 115 - HG3 PRO 86 8.333% * 2.1426% (0.38 0.17 0.02) = 2.143% kept HA ILE 19 - HG2 PRO 112 8.333% * 1.9243% (0.06 0.96 1.03) = 1.924% kept HA THR 96 - HG2 PRO 116 8.333% * 0.4761% (0.72 0.02 0.02) = 0.476% HA ILE 19 - HG2 PRO 116 8.333% * 0.3191% (0.48 0.02 0.02) = 0.319% HA ILE 19 - HG3 PRO 86 8.333% * 0.1283% (0.19 0.02 0.02) = 0.128% HA ASP- 115 - HG3 PRO 112 8.333% * 0.1157% (0.17 0.02 0.02) = 0.116% HA THR 96 - HG3 PRO 112 8.333% * 0.0888% (0.13 0.02 0.02) = 0.089% HA ASP- 115 - HG2 PRO 112 8.333% * 0.0783% (0.12 0.02 0.02) = 0.078% HA THR 96 - HG2 PRO 112 8.333% * 0.0601% (0.09 0.02 0.02) = 0.060% HA ILE 19 - HG3 PRO 112 8.333% * 0.0595% (0.09 0.02 1.03) = 0.060% Peak 4339 (1.96, 1.96, 32.85 ppm): 5 diagonal assignments: HB2 PRO 35 - HB2 PRO 35 (0.66) kept HB VAL 13 - HB VAL 13 (0.61) kept HB3 LYS+ 55 - HB3 LYS+ 55 (0.33) kept HB2 LYS+ 108 - HB2 LYS+ 108 (0.04) kept HB2 GLU- 75 - HB2 GLU- 75 (0.03) kept Reference assignment not found: HB3 LYS+ 117 - HB3 LYS+ 117 Peak 4340 (2.03, 2.03, 29.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HD3 LYS+ 117 - HD3 LYS+ 117 Peak unassigned. Peak 4341 (8.42, 2.03, 29.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HN LYS+ 117 - HD3 LYS+ 117 Peak unassigned. Peak 4342 (1.77, 2.23, 42.87 ppm): 12 chemical-shift based assignments, quality = 0.482, support = 2.98, residual support = 16.7: * O T HD3 PRO 59 - HA1 GLY 58 8.333% * 93.2598% (0.47 10.0 10.00 3.16 17.89) = 93.260% kept HG3 LYS+ 63 - HA1 GLY 58 8.333% * 4.2850% (0.61 1.0 1.00 0.72 0.02) = 4.285% kept T HB3 GLU- 18 - HA1 GLY 58 8.333% * 1.6436% (0.84 1.0 10.00 0.02 0.02) = 1.644% kept HG2 ARG+ 84 - HA1 GLY 58 8.333% * 0.1633% (0.83 1.0 1.00 0.02 0.02) = 0.163% HB2 ARG+ 84 - HA1 GLY 58 8.333% * 0.1615% (0.82 1.0 1.00 0.02 0.02) = 0.161% HG3 ARG+ 53 - HA1 GLY 58 8.333% * 0.1429% (0.73 1.0 1.00 0.02 0.02) = 0.143% HG2 PRO 31 - HA1 GLY 58 8.333% * 0.1132% (0.58 1.0 1.00 0.02 0.02) = 0.113% HB2 LEU 17 - HA1 GLY 58 8.333% * 0.0677% (0.34 1.0 1.00 0.02 0.02) = 0.068% HB3 LYS+ 108 - HA1 GLY 58 8.333% * 0.0508% (0.26 1.0 1.00 0.02 0.02) = 0.051% HB3 LYS+ 63 - HA1 GLY 58 8.333% * 0.0508% (0.26 1.0 1.00 0.02 0.02) = 0.051% HB2 LYS+ 117 - HA1 GLY 58 8.333% * 0.0326% (0.17 1.0 1.00 0.02 0.02) = 0.033% HB3 LEU 23 - HA1 GLY 58 8.333% * 0.0288% (0.15 1.0 1.00 0.02 0.02) = 0.029% Peak 4343 (2.23, 1.86, 47.63 ppm): 15 chemical-shift based assignments, quality = 0.392, support = 2.33, residual support = 17.1: * O T HA1 GLY 58 - HD2 PRO 59 6.667% * 95.8693% (0.40 10.0 10.00 2.43 17.89) = 95.869% kept HG3 GLN 102 - HD2 PRO 59 6.667% * 1.8049% (0.63 1.0 1.00 0.24 0.02) = 1.805% kept HG3 GLU- 109 - HD2 PRO 59 6.667% * 0.8374% (0.70 1.0 1.00 0.10 0.02) = 0.837% HG2 PRO 112 - HD2 PRO 59 6.667% * 0.1819% (0.75 1.0 1.00 0.02 0.02) = 0.182% HB3 GLU- 45 - HD2 PRO 59 6.667% * 0.1724% (0.71 1.0 1.00 0.02 0.02) = 0.172% HB2 PRO 52 - HD2 PRO 59 6.667% * 0.1682% (0.70 1.0 1.00 0.02 0.02) = 0.168% HG3 GLN 16 - HD2 PRO 59 6.667% * 0.1634% (0.68 1.0 1.00 0.02 0.55) = 0.163% HG3 GLU- 10 - HD2 PRO 59 6.667% * 0.1581% (0.65 1.0 1.00 0.02 0.02) = 0.158% HB3 ASN 15 - HD2 PRO 59 6.667% * 0.1323% (0.55 1.0 1.00 0.02 0.02) = 0.132% HG3 GLU- 18 - HD2 PRO 59 6.667% * 0.1323% (0.55 1.0 1.00 0.02 0.02) = 0.132% HB2 GLU- 50 - HD2 PRO 59 6.667% * 0.1179% (0.49 1.0 1.00 0.02 0.81) = 0.118% HG3 MET 97 - HD2 PRO 59 6.667% * 0.0959% (0.40 1.0 1.00 0.02 0.02) = 0.096% HG3 MET 126 - HD2 PRO 59 6.667% * 0.0749% (0.31 1.0 1.00 0.02 0.02) = 0.075% HG3 GLU- 107 - HD2 PRO 59 6.667% * 0.0507% (0.21 1.0 1.00 0.02 0.02) = 0.051% HG3 GLU- 54 - HD2 PRO 59 6.667% * 0.0406% (0.17 1.0 1.00 0.02 0.02) = 0.041% Peak 4350 (1.86, 1.75, 47.61 ppm): 11 chemical-shift based assignments, quality = 0.574, support = 2.1, residual support = 7.26: * O HD2 PRO 59 - HD3 PRO 59 9.091% * 76.0460% (0.66 10.0 2.19 7.13) = 76.046% kept O HB2 PRO 59 - HD3 PRO 59 9.091% * 15.0494% (0.13 10.0 2.08 7.13) = 15.049% kept HB3 LYS+ 60 - HD3 PRO 59 9.091% * 5.6012% (0.56 1.0 1.76 12.86) = 5.601% kept HB3 LYS+ 72 - HD3 PRO 59 9.091% * 2.9750% (0.58 1.0 0.90 1.46) = 2.975% kept HB VAL 94 - HD3 PRO 59 9.091% * 0.0759% (0.66 1.0 0.02 0.02) = 0.076% HB2 PRO 104 - HD3 PRO 59 9.091% * 0.0682% (0.60 1.0 0.02 0.02) = 0.068% HB3 ARG+ 84 - HD3 PRO 59 9.091% * 0.0522% (0.46 1.0 0.02 0.02) = 0.052% HD3 PRO 52 - HD3 PRO 59 9.091% * 0.0492% (0.43 1.0 0.02 0.02) = 0.049% HB2 LYS+ 66 - HD3 PRO 59 9.091% * 0.0370% (0.32 1.0 0.02 0.28) = 0.037% HG3 LYS+ 120 - HD3 PRO 59 9.091% * 0.0313% (0.27 1.0 0.02 0.02) = 0.031% HG2 PRO 112 - HD3 PRO 59 9.091% * 0.0145% (0.13 1.0 0.02 0.02) = 0.015% Peak 4351 (1.76, 1.75, 47.61 ppm): 1 diagonal assignment: * HD3 PRO 59 - HD3 PRO 59 (0.60) kept Peak 4352 (1.51, 1.75, 47.61 ppm): 3 chemical-shift based assignments, quality = 0.571, support = 1.07, residual support = 1.2: HG3 LYS+ 72 - HD3 PRO 59 33.333% * 53.2784% (0.61 1.38 1.46) = 53.278% kept HB2 LYS+ 72 - HD3 PRO 59 33.333% * 25.9728% (0.56 0.74 1.46) = 25.973% kept HD3 LYS+ 108 - HD3 PRO 59 33.333% * 20.7488% (0.48 0.68 0.17) = 20.749% kept Peak 4353 (1.19, 1.75, 47.61 ppm): 5 chemical-shift based assignments, quality = 0.325, support = 0.794, residual support = 1.0: HB2 LEU 67 - HD3 PRO 59 20.000% * 45.1347% (0.27 1.08 0.80) = 45.135% kept HB2 LEU 74 - HD3 PRO 59 20.000% * 41.5873% (0.43 0.64 1.54) = 41.587% kept HB3 ARG+ 22 - HD3 PRO 59 20.000% * 10.4071% (0.18 0.37 0.02) = 10.407% kept HB2 LEU 43 - HD3 PRO 59 20.000% * 2.1803% (0.17 0.09 0.02) = 2.180% kept QG2 THR 106 - HD3 PRO 59 20.000% * 0.6906% (0.23 0.02 0.02) = 0.691% Peak 4354 (0.73, 1.75, 47.61 ppm): 9 chemical-shift based assignments, quality = 0.554, support = 0.927, residual support = 0.762: QG1 VAL 40 - HD3 PRO 59 11.111% * 23.4467% (0.66 1.15 0.92) = 23.447% kept HG LEU 74 - HD3 PRO 59 11.111% * 19.3287% (0.46 1.36 1.54) = 19.329% kept QD1 ILE 68 - HD3 PRO 59 11.111% * 13.6784% (0.66 0.66 0.21) = 13.678% kept HG3 LYS+ 66 - HD3 PRO 59 11.111% * 13.2197% (0.58 0.74 0.28) = 13.220% kept QG2 VAL 65 - HD3 PRO 59 11.111% * 12.1868% (0.66 0.59 0.02) = 12.187% kept * QG2 ILE 101 - HD3 PRO 59 11.111% * 10.0284% (0.33 0.97 1.80) = 10.028% kept QG2 ILE 48 - HD3 PRO 59 11.111% * 7.0020% (0.43 0.52 0.02) = 7.002% kept QG2 THR 96 - HD3 PRO 59 11.111% * 0.7515% (0.15 0.16 0.02) = 0.752% HG3 LYS+ 44 - HD3 PRO 59 11.111% * 0.3577% (0.58 0.02 0.02) = 0.358% Peak 4355 (0.54, 1.75, 47.61 ppm): 1 chemical-shift based assignment, quality = 0.376, support = 0.75, residual support = 1.8: * QD1 ILE 101 - HD3 PRO 59 100.000% *100.0000% (0.38 0.75 1.80) = 100.000% kept Peak 4356 (1.86, 1.86, 47.63 ppm): 1 diagonal assignment: * HD2 PRO 59 - HD2 PRO 59 (0.75) kept Peak 4357 (1.76, 1.86, 47.63 ppm): 11 chemical-shift based assignments, quality = 0.672, support = 2.18, residual support = 7.09: * O T HD3 PRO 59 - HD2 PRO 59 9.091% * 99.3859% (0.68 10.0 10.00 2.19 7.13) = 99.386% kept HB3 GLU- 18 - HD2 PRO 59 9.091% * 0.0887% (0.60 1.0 1.00 0.02 0.02) = 0.089% HB2 LEU 17 - HD2 PRO 59 9.091% * 0.0847% (0.58 1.0 1.00 0.02 0.02) = 0.085% HG2 ARG+ 84 - HD2 PRO 59 9.091% * 0.0847% (0.58 1.0 1.00 0.02 0.02) = 0.085% HB2 ARG+ 84 - HD2 PRO 59 9.091% * 0.0805% (0.55 1.0 1.00 0.02 0.02) = 0.080% HG3 ARG+ 53 - HD2 PRO 59 9.091% * 0.0583% (0.40 1.0 1.00 0.02 0.02) = 0.058% HB2 LYS+ 117 - HD2 PRO 59 9.091% * 0.0539% (0.37 1.0 1.00 0.02 0.02) = 0.054% HB3 LEU 23 - HD2 PRO 59 9.091% * 0.0497% (0.34 1.0 1.00 0.02 0.02) = 0.050% HG3 LYS+ 63 - HD2 PRO 59 9.091% * 0.0416% (0.28 1.0 1.00 0.02 0.02) = 0.042% HG2 PRO 31 - HD2 PRO 59 9.091% * 0.0378% (0.26 1.0 1.00 0.02 0.02) = 0.038% HB ILE 48 - HD2 PRO 59 9.091% * 0.0342% (0.23 1.0 1.00 0.02 0.02) = 0.034% Peak 4358 (1.51, 1.86, 47.63 ppm): 3 chemical-shift based assignments, quality = 0.655, support = 1.06, residual support = 1.26: HG3 LYS+ 72 - HD2 PRO 59 33.333% * 57.3655% (0.70 1.39 1.46) = 57.365% kept HB2 LYS+ 72 - HD2 PRO 59 33.333% * 26.6669% (0.63 0.71 1.46) = 26.667% kept HD3 LYS+ 108 - HD2 PRO 59 33.333% * 15.9677% (0.55 0.49 0.17) = 15.968% kept Peak 4359 (1.20, 1.86, 47.63 ppm): 5 chemical-shift based assignments, quality = 0.379, support = 1.26, residual support = 0.96: HB2 LEU 74 - HD2 PRO 59 20.000% * 41.5166% (0.28 1.90 1.54) = 41.517% kept HB2 LEU 67 - HD2 PRO 59 20.000% * 39.7101% (0.52 0.99 0.80) = 39.710% kept HB3 ARG+ 22 - HD2 PRO 59 20.000% * 10.1434% (0.40 0.33 0.02) = 10.143% kept HG12 ILE 100 - HD2 PRO 59 20.000% * 8.4498% (0.19 0.58 0.02) = 8.450% kept QG2 THR 106 - HD2 PRO 59 20.000% * 0.1801% (0.12 0.02 0.02) = 0.180% Peak 4360 (0.74, 1.86, 47.63 ppm): 8 chemical-shift based assignments, quality = 0.576, support = 0.896, residual support = 0.7: QG1 VAL 40 - HD2 PRO 59 12.500% * 24.7430% (0.63 1.18 0.92) = 24.743% kept HG3 LYS+ 66 - HD2 PRO 59 12.500% * 18.5197% (0.75 0.74 0.28) = 18.520% kept QD1 ILE 68 - HD2 PRO 59 12.500% * 15.4560% (0.65 0.71 0.21) = 15.456% kept HG LEU 74 - HD2 PRO 59 12.500% * 13.8392% (0.31 1.34 1.54) = 13.839% kept * QG2 ILE 101 - HD2 PRO 59 12.500% * 9.6303% (0.26 1.10 1.80) = 9.630% kept HG3 LYS+ 44 - HD2 PRO 59 12.500% * 8.9635% (0.75 0.36 0.02) = 8.963% kept QG2 ILE 48 - HD2 PRO 59 12.500% * 6.4136% (0.43 0.45 0.02) = 6.414% kept QG2 VAL 65 - HD2 PRO 59 12.500% * 2.4348% (0.70 0.11 0.02) = 2.435% kept Peak 4361 (0.54, 1.86, 47.63 ppm): 1 chemical-shift based assignment, quality = 0.427, support = 1.05, residual support = 1.8: * QD1 ILE 101 - HD2 PRO 59 100.000% *100.0000% (0.43 1.05 1.80) = 100.000% kept Peak 4362 (4.25, 1.78, 32.81 ppm): 42 chemical-shift based assignments, quality = 0.219, support = 2.07, residual support = 12.3: HA GLU- 64 - HB3 LYS+ 63 2.381% * 53.4075% (0.29 3.22 22.86) = 53.408% kept HA GLU- 56 - HB3 LYS+ 63 2.381% * 8.4428% (0.23 0.63 0.36) = 8.443% kept HA GLU- 54 - HB3 LYS+ 63 2.381% * 7.4999% (0.22 0.60 0.02) = 7.500% kept HB3 SER 49 - HB2 LYS+ 117 2.381% * 7.3629% (0.06 2.19 0.55) = 7.363% kept HA VAL 94 - HB3 LYS+ 63 2.381% * 6.3081% (0.13 0.81 0.45) = 6.308% kept HA PRO 59 - HB3 LYS+ 63 2.381% * 3.6240% (0.31 0.20 0.02) = 3.624% kept HB3 SER 49 - HB3 LYS+ 63 2.381% * 3.0948% (0.11 0.50 0.02) = 3.095% kept HA GLU- 56 - HB2 LYS+ 117 2.381% * 2.2492% (0.13 0.31 0.02) = 2.249% kept HA SER 49 - HB2 LYS+ 117 2.381% * 1.6434% (0.07 0.43 0.55) = 1.643% kept HA PRO 52 - HB2 LYS+ 117 2.381% * 0.4331% (0.08 0.09 0.02) = 0.433% HA ASN 76 - HB3 LYS+ 63 2.381% * 0.4142% (0.36 0.02 0.02) = 0.414% HA GLU- 107 - HB3 LYS+ 63 2.381% * 0.4132% (0.36 0.02 0.02) = 0.413% HA ASN 119 - HB3 LYS+ 63 2.381% * 0.4132% (0.36 0.02 0.02) = 0.413% HA ALA 11 - HB3 LYS+ 63 2.381% * 0.4105% (0.35 0.02 0.02) = 0.411% HA GLU- 75 - HB3 LYS+ 63 2.381% * 0.3459% (0.30 0.02 0.02) = 0.346% HA LYS+ 108 - HB3 LYS+ 63 2.381% * 0.2512% (0.22 0.02 0.02) = 0.251% HA GLU- 10 - HB3 LYS+ 63 2.381% * 0.2512% (0.22 0.02 0.02) = 0.251% HA ASN 76 - HB2 LYS+ 117 2.381% * 0.2250% (0.19 0.02 0.02) = 0.225% HA ASN 119 - HB2 LYS+ 117 2.381% * 0.2245% (0.19 0.02 0.02) = 0.225% HA GLU- 107 - HB2 LYS+ 117 2.381% * 0.2245% (0.19 0.02 0.02) = 0.225% HA ALA 11 - HB2 LYS+ 117 2.381% * 0.2230% (0.19 0.02 0.02) = 0.223% HA PRO 59 - HB2 LYS+ 117 2.381% * 0.1952% (0.17 0.02 0.02) = 0.195% HA GLU- 75 - HB2 LYS+ 117 2.381% * 0.1879% (0.16 0.02 0.02) = 0.188% HA GLU- 64 - HB2 LYS+ 117 2.381% * 0.1802% (0.16 0.02 0.02) = 0.180% HA SER 85 - HB3 LYS+ 63 2.381% * 0.1703% (0.15 0.02 0.02) = 0.170% HA ARG+ 84 - HB3 LYS+ 63 2.381% * 0.1703% (0.15 0.02 0.02) = 0.170% HA PRO 52 - HB3 LYS+ 63 2.381% * 0.1703% (0.15 0.02 1.23) = 0.170% HA ALA 42 - HB3 LYS+ 63 2.381% * 0.1703% (0.15 0.02 0.02) = 0.170% HA SER 49 - HB3 LYS+ 63 2.381% * 0.1413% (0.12 0.02 0.02) = 0.141% HA GLU- 54 - HB2 LYS+ 117 2.381% * 0.1365% (0.12 0.02 0.02) = 0.136% HA GLU- 10 - HB2 LYS+ 117 2.381% * 0.1365% (0.12 0.02 0.02) = 0.136% HA LYS+ 108 - HB2 LYS+ 117 2.381% * 0.1365% (0.12 0.02 0.02) = 0.136% HA SER 85 - HB2 LYS+ 117 2.381% * 0.0925% (0.08 0.02 0.02) = 0.093% HA ARG+ 84 - HB2 LYS+ 117 2.381% * 0.0925% (0.08 0.02 0.02) = 0.093% HA ALA 42 - HB2 LYS+ 117 2.381% * 0.0925% (0.08 0.02 0.02) = 0.093% HA VAL 122 - HB3 LYS+ 63 2.381% * 0.0922% (0.08 0.02 0.02) = 0.092% HA VAL 94 - HB2 LYS+ 117 2.381% * 0.0844% (0.07 0.02 0.02) = 0.084% HA GLU- 109 - HB3 LYS+ 63 2.381% * 0.0820% (0.07 0.02 0.02) = 0.082% HA LEU 90 - HB3 LYS+ 63 2.381% * 0.0725% (0.06 0.02 0.02) = 0.073% HA VAL 122 - HB2 LYS+ 117 2.381% * 0.0501% (0.04 0.02 0.02) = 0.050% HA GLU- 109 - HB2 LYS+ 117 2.381% * 0.0445% (0.04 0.02 0.02) = 0.045% HA LEU 90 - HB2 LYS+ 117 2.381% * 0.0394% (0.03 0.02 0.02) = 0.039% Reference assignment not found: HA PRO 59 - HB2 PRO 59 Peaks: selected : 2189 with diagonal assignment : 298 without assignment possibility : 282 with one assignment possibility : 79 with multiple assignment possibilities : 1530 with given assignment possibilities : 0 with unique volume contribution : 282 with multiple volume contributions : 1327 eliminated by violation filter : 0 Peaks: selected : 2189 without assignment : 440 with assignment : 1749 with unique assignment : 452 with multiple assignment : 1297 with reference assignment : 1579 with identical reference assignment : 412 with compatible reference assignment : 1023 with incompatible reference assignment : 78 with additional reference assignment : 66 with additional assignment : 236 Atoms with eliminated volume contribution > 2.5: HN GLU- 10 2.7 HB3 HIS+ 14 3.0 HG3 GLN 16 4.1 HB3 GLU- 18 4.1 HB2 PHE 21 3.3 HB3 PRO 31 3.5 QB ALA 33 3.0 QG2 VAL 40 3.2 QG2 VAL 47 4.0 QG2 ILE 48 3.3 HB3 SER 49 3.0 HD3 LYS+ 60 3.5 QG2 VAL 62 2.6 HB3 LYS+ 63 2.6 QG2 VAL 73 4.8 HB3 GLU- 75 3.5 HB3 ASN 76 2.8 QD2 LEU 90 3.0 HG3 LYS+ 113 5.8 QG2 VAL 125 7.1 Peak 1 (4.09, 9.49, 134.56 ppm): 8 chemical-shift based assignments, quality = 0.563, support = 1.99, residual support = 13.7: * O HA ALA 70 - HN ALA 70 12.500% * 99.4472% (0.57 10.0 2.00 13.82) = 99.447% kept HA THR 24 - HN ALA 70 12.500% * 0.1621% (0.92 1.0 0.02 0.02) = 0.162% HB3 SER 49 - HN ALA 70 12.500% * 0.1152% (0.66 1.0 0.02 0.02) = 0.115% HA LYS+ 63 - HN ALA 70 12.500% * 0.1065% (0.61 1.0 0.02 0.02) = 0.107% HB2 SER 49 - HN ALA 70 12.500% * 0.0542% (0.31 1.0 0.02 0.02) = 0.054% HA THR 46 - HN ALA 70 12.500% * 0.0438% (0.25 1.0 0.02 0.02) = 0.044% HA VAL 125 - HN ALA 70 12.500% * 0.0438% (0.25 1.0 0.02 0.02) = 0.044% HB THR 38 - HN ALA 70 12.500% * 0.0271% (0.15 1.0 0.02 0.02) = 0.027% Peak 2 (9.49, 9.49, 134.56 ppm): 1 diagonal assignment: * HN ALA 70 - HN ALA 70 (0.98) kept Peak 5 (4.94, 9.50, 134.56 ppm): 4 chemical-shift based assignments, quality = 0.877, support = 0.167, residual support = 0.02: HA HIS+ 98 - HN ALA 70 25.000% * 80.8885% (0.88 0.20 0.02) = 80.889% kept HA ILE 101 - HN ALA 70 25.000% * 8.8961% (0.98 0.02 0.02) = 8.896% kept HA ALA 33 - HN ALA 70 25.000% * 8.2304% (0.90 0.02 0.02) = 8.230% kept HA MET 97 - HN ALA 70 25.000% * 1.9850% (0.22 0.02 0.02) = 1.985% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 6 (9.24, 9.25, 131.84 ppm): 1 diagonal assignment: * HN ILE 100 - HN ILE 100 (0.83) kept Peak 7 (4.68, 9.25, 131.84 ppm): 8 chemical-shift based assignments, quality = 0.37, support = 2.22, residual support = 13.6: * O HA VAL 99 - HN ILE 100 12.500% * 99.0982% (0.37 10.0 2.24 13.75) = 99.098% kept HA ASN 89 - HN ILE 100 12.500% * 0.2498% (0.94 1.0 0.02 0.02) = 0.250% HA TYR 83 - HN ILE 100 12.500% * 0.2018% (0.76 1.0 0.02 0.02) = 0.202% HA PRO 35 - HN ILE 100 12.500% * 0.1389% (0.52 1.0 0.02 0.02) = 0.139% HA GLN 16 - HN ILE 100 12.500% * 0.1389% (0.52 1.0 0.02 0.02) = 0.139% HA LYS+ 120 - HN ILE 100 12.500% * 0.0658% (0.25 1.0 0.02 0.02) = 0.066% HA THR 61 - HN ILE 100 12.500% * 0.0658% (0.25 1.0 0.02 0.02) = 0.066% HA THR 39 - HN ILE 100 12.500% * 0.0407% (0.15 1.0 0.02 0.02) = 0.041% Peak 8 (0.90, 9.25, 131.84 ppm): 10 chemical-shift based assignments, quality = 0.859, support = 1.87, residual support = 6.7: QD1 LEU 67 - HN ILE 100 10.000% * 76.6365% (1.00 2.31 8.65) = 76.637% kept HG12 ILE 68 - HN ILE 100 10.000% * 7.4923% (0.31 0.73 0.93) = 7.492% kept QG2 VAL 80 - HN ILE 100 10.000% * 6.9178% (0.48 0.43 0.02) = 6.918% kept QG1 VAL 80 - HN ILE 100 10.000% * 5.8845% (0.68 0.26 0.02) = 5.885% kept HG3 LYS+ 117 - HN ILE 100 10.000% * 0.6571% (0.99 0.02 0.02) = 0.657% QG1 VAL 47 - HN ILE 100 10.000% * 0.6571% (0.99 0.02 0.02) = 0.657% QG2 VAL 87 - HN ILE 100 10.000% * 0.6398% (0.96 0.02 0.35) = 0.640% QG2 VAL 40 - HN ILE 100 10.000% * 0.6398% (0.96 0.02 0.02) = 0.640% HG3 LYS+ 110 - HN ILE 100 10.000% * 0.2488% (0.37 0.02 0.02) = 0.249% QG2 VAL 125 - HN ILE 100 10.000% * 0.2261% (0.34 0.02 0.02) = 0.226% Peak 9 (1.64, 9.25, 131.84 ppm): 12 chemical-shift based assignments, quality = 0.395, support = 3.46, residual support = 45.2: * O HB ILE 100 - HN ILE 100 8.333% * 58.6800% (0.25 10.0 4.21 68.30) = 58.680% kept HG12 ILE 101 - HN ILE 100 8.333% * 24.7589% (0.68 1.0 3.06 19.28) = 24.759% kept HB ILE 68 - HN ILE 100 8.333% * 10.0176% (0.64 1.0 1.32 0.93) = 10.018% kept HB3 LYS+ 66 - HN ILE 100 8.333% * 5.5697% (0.28 1.0 1.70 4.12) = 5.570% kept HG2 ARG+ 22 - HN ILE 100 8.333% * 0.2226% (0.94 1.0 0.02 0.02) = 0.223% HG LEU 23 - HN ILE 100 8.333% * 0.1798% (0.76 1.0 0.02 3.44) = 0.180% HG LEU 43 - HN ILE 100 8.333% * 0.1522% (0.64 1.0 0.02 0.02) = 0.152% HB VAL 122 - HN ILE 100 8.333% * 0.1522% (0.64 1.0 0.02 0.02) = 0.152% HG3 ARG+ 84 - HN ILE 100 8.333% * 0.1055% (0.45 1.0 0.02 0.02) = 0.106% HG3 LYS+ 78 - HN ILE 100 8.333% * 0.0883% (0.37 1.0 0.02 0.02) = 0.088% HB3 MET 97 - HN ILE 100 8.333% * 0.0412% (0.17 1.0 0.02 0.02) = 0.041% HG2 LYS+ 110 - HN ILE 100 8.333% * 0.0318% (0.13 1.0 0.02 0.02) = 0.032% Peak 10 (1.02, 9.25, 131.84 ppm): 2 chemical-shift based assignments, quality = 0.719, support = 3.11, residual support = 13.7: * QG1 VAL 99 - HN ILE 100 50.000% * 99.5040% (0.72 3.13 13.75) = 99.504% kept HG3 LYS+ 20 - HN ILE 100 50.000% * 0.4960% (0.56 0.02 0.02) = 0.496% Peak 11 (9.07, 9.25, 131.84 ppm): 2 chemical-shift based assignments, quality = 0.914, support = 1.67, residual support = 4.1: * T HN LYS+ 66 - HN ILE 100 50.000% * 99.4990% (0.92 10.00 1.68 4.12) = 99.499% kept HN GLU- 54 - HN ILE 100 50.000% * 0.5010% (0.98 1.00 0.08 0.02) = 0.501% Peak 12 (4.46, 9.25, 131.84 ppm): 8 chemical-shift based assignments, quality = 0.859, support = 4.8, residual support = 68.0: * O HA ILE 100 - HN ILE 100 12.500% * 99.5389% (0.86 10.0 4.82 68.30) = 99.539% kept HA GLU- 50 - HN ILE 100 12.500% * 0.1059% (0.92 1.0 0.02 1.00) = 0.106% HA GLN 102 - HN ILE 100 12.500% * 0.0995% (0.86 1.0 0.02 0.14) = 0.100% HA MET 118 - HN ILE 100 12.500% * 0.0877% (0.76 1.0 0.02 0.02) = 0.088% HA MET 126 - HN ILE 100 12.500% * 0.0788% (0.68 1.0 0.02 0.02) = 0.079% HA LYS+ 32 - HN ILE 100 12.500% * 0.0559% (0.48 1.0 0.02 0.02) = 0.056% HB THR 24 - HN ILE 100 12.500% * 0.0177% (0.15 1.0 0.02 0.02) = 0.018% HA LYS+ 111 - HN ILE 100 12.500% * 0.0155% (0.13 1.0 0.02 0.02) = 0.016% Peak 13 (0.77, 9.25, 131.84 ppm): 4 chemical-shift based assignments, quality = 0.2, support = 3.22, residual support = 41.5: * QD1 ILE 100 - HN ILE 100 25.000% * 59.0000% (0.20 4.27 68.30) = 59.000% kept HG3 LYS+ 66 - HN ILE 100 25.000% * 27.2035% (0.17 2.22 4.12) = 27.203% kept QG2 ILE 48 - HN ILE 100 25.000% * 13.5519% (0.27 0.72 0.35) = 13.552% kept HG3 LYS+ 44 - HN ILE 100 25.000% * 0.2447% (0.17 0.02 0.02) = 0.245% Peak 14 (9.28, 9.28, 130.07 ppm): 1 diagonal assignment: * HN LEU 23 - HN LEU 23 (0.84) kept Peak 15 (5.18, 9.28, 130.07 ppm): 1 chemical-shift based assignment, quality = 0.683, support = 6.6, residual support = 40.4: * O HA ARG+ 22 - HN LEU 23 100.000% *100.0000% (0.68 10.0 6.60 40.43) = 100.000% kept Peak 16 (1.62, 9.28, 130.07 ppm): 10 chemical-shift based assignments, quality = 0.781, support = 5.28, residual support = 79.0: * HG LEU 23 - HN LEU 23 10.000% * 57.1157% (0.92 6.18 120.22) = 57.116% kept HG2 ARG+ 22 - HN LEU 23 10.000% * 25.3223% (0.39 6.44 40.43) = 25.322% kept HG12 ILE 101 - HN LEU 23 10.000% * 9.6782% (0.95 1.02 0.51) = 9.678% kept HB ILE 68 - HN LEU 23 10.000% * 3.2599% (0.95 0.34 0.02) = 3.260% kept HB VAL 122 - HN LEU 23 10.000% * 2.7789% (0.95 0.29 0.02) = 2.779% kept HB3 PRO 52 - HN LEU 23 10.000% * 1.3020% (0.43 0.30 1.63) = 1.302% kept HG LEU 43 - HN LEU 23 10.000% * 0.1910% (0.95 0.02 0.02) = 0.191% HG3 LYS+ 78 - HN LEU 23 10.000% * 0.1767% (0.88 0.02 0.02) = 0.177% HG2 LYS+ 110 - HN LEU 23 10.000% * 0.1161% (0.58 0.02 0.02) = 0.116% HD3 LYS+ 32 - HN LEU 23 10.000% * 0.0591% (0.30 0.02 0.02) = 0.059% Peak 17 (1.92, 9.28, 130.07 ppm): 15 chemical-shift based assignments, quality = 0.925, support = 6.37, residual support = 110.5: * O HB2 LEU 23 - HN LEU 23 6.667% * 90.9882% (0.94 10.0 6.84 120.22) = 90.988% kept HB ILE 29 - HN LEU 23 6.667% * 7.7328% (0.89 1.0 1.80 14.54) = 7.733% kept HB3 ARG+ 53 - HN LEU 23 6.667% * 0.7941% (0.42 1.0 0.39 0.20) = 0.794% HD3 LYS+ 63 - HN LEU 23 6.667% * 0.0816% (0.84 1.0 0.02 0.02) = 0.082% HB2 PRO 112 - HN LEU 23 6.667% * 0.0694% (0.72 1.0 0.02 0.02) = 0.069% HB3 GLN 102 - HN LEU 23 6.667% * 0.0661% (0.68 1.0 0.02 0.99) = 0.066% HB2 PRO 116 - HN LEU 23 6.667% * 0.0589% (0.61 1.0 0.02 0.02) = 0.059% HB2 GLU- 10 - HN LEU 23 6.667% * 0.0589% (0.61 1.0 0.02 0.02) = 0.059% HB2 GLU- 75 - HN LEU 23 6.667% * 0.0310% (0.32 1.0 0.02 0.02) = 0.031% HG2 PRO 112 - HN LEU 23 6.667% * 0.0290% (0.30 1.0 0.02 0.02) = 0.029% HB3 CYS 123 - HN LEU 23 6.667% * 0.0281% (0.29 1.0 0.02 0.02) = 0.028% HB3 LYS+ 55 - HN LEU 23 6.667% * 0.0180% (0.19 1.0 0.02 0.02) = 0.018% HG3 PRO 31 - HN LEU 23 6.667% * 0.0159% (0.16 1.0 0.02 0.02) = 0.016% HB3 GLN 16 - HN LEU 23 6.667% * 0.0140% (0.15 1.0 0.02 0.02) = 0.014% HG2 GLU- 18 - HN LEU 23 6.667% * 0.0140% (0.15 1.0 0.02 0.02) = 0.014% Peak 18 (0.27, 9.28, 130.07 ppm): 2 chemical-shift based assignments, quality = 0.319, support = 6.04, residual support = 116.4: * QD2 LEU 23 - HN LEU 23 50.000% * 96.8167% (0.32 6.23 120.22) = 96.817% kept QG1 VAL 122 - HN LEU 23 50.000% * 3.1833% (0.26 0.25 0.02) = 3.183% kept Peak 19 (3.28, 9.29, 130.07 ppm): 4 chemical-shift based assignments, quality = 0.914, support = 5.57, residual support = 39.4: HD3 ARG+ 22 - HN LEU 23 25.000% * 97.3081% (0.92 5.73 40.43) = 97.308% kept HD2 PRO 52 - HN LEU 23 25.000% * 1.9660% (0.87 0.12 1.63) = 1.966% kept HE3 LYS+ 63 - HN LEU 23 25.000% * 0.3649% (0.99 0.02 0.02) = 0.365% HD3 ARG+ 53 - HN LEU 23 25.000% * 0.3609% (0.98 0.02 0.20) = 0.361% Peak 20 (1.43, 9.28, 130.07 ppm): 14 chemical-shift based assignments, quality = 0.852, support = 5.29, residual support = 35.3: * HG3 ARG+ 22 - HN LEU 23 7.143% * 86.6746% (0.95 5.96 40.43) = 86.675% kept HG13 ILE 100 - HN LEU 23 7.143% * 6.7075% (0.27 1.64 3.44) = 6.708% kept HG LEU 67 - HN LEU 23 7.143% * 2.4623% (0.30 0.54 0.02) = 2.462% kept QB ALA 93 - HN LEU 23 7.143% * 1.9413% (0.27 0.48 0.02) = 1.941% kept HD3 LYS+ 113 - HN LEU 23 7.143% * 0.2930% (0.95 0.02 0.80) = 0.293% QG2 THR 38 - HN LEU 23 7.143% * 0.2911% (0.95 0.02 0.02) = 0.291% HG3 LYS+ 55 - HN LEU 23 7.143% * 0.2911% (0.95 0.02 0.02) = 0.291% QB ALA 91 - HN LEU 23 7.143% * 0.2834% (0.92 0.02 0.02) = 0.283% HG3 LYS+ 113 - HN LEU 23 7.143% * 0.2834% (0.92 0.02 0.80) = 0.283% HD3 LYS+ 44 - HN LEU 23 7.143% * 0.2634% (0.86 0.02 0.02) = 0.263% HG LEU 90 - HN LEU 23 7.143% * 0.2352% (0.77 0.02 0.15) = 0.235% QB ALA 37 - HN LEU 23 7.143% * 0.1429% (0.47 0.02 0.02) = 0.143% HG2 PRO 59 - HN LEU 23 7.143% * 0.0654% (0.21 0.02 0.02) = 0.065% HG3 LYS+ 60 - HN LEU 23 7.143% * 0.0654% (0.21 0.02 0.02) = 0.065% Peak 21 (1.74, 9.28, 130.07 ppm): 7 chemical-shift based assignments, quality = 0.932, support = 6.15, residual support = 116.7: * O HB3 LEU 23 - HN LEU 23 14.286% * 97.0335% (0.94 10.0 6.32 120.22) = 97.033% kept HB2 LEU 17 - HN LEU 23 14.286% * 2.6756% (0.79 1.0 0.66 0.13) = 2.676% kept HB2 LYS+ 117 - HN LEU 23 14.286% * 0.0964% (0.93 1.0 0.02 0.02) = 0.096% HB ILE 48 - HN LEU 23 14.286% * 0.0953% (0.92 1.0 0.02 0.33) = 0.095% HD3 PRO 59 - HN LEU 23 14.286% * 0.0668% (0.65 1.0 0.02 0.02) = 0.067% HB2 GLN 16 - HN LEU 23 14.286% * 0.0192% (0.19 1.0 0.02 0.02) = 0.019% HB3 GLU- 18 - HN LEU 23 14.286% * 0.0132% (0.13 1.0 0.02 0.02) = 0.013% Peak 22 (9.07, 9.08, 129.85 ppm): 1 diagonal assignment: * HN LYS+ 66 - HN LYS+ 66 (0.92) kept Peak 23 (4.18, 9.08, 129.85 ppm): 7 chemical-shift based assignments, quality = 0.995, support = 3.3, residual support = 12.8: * O HA VAL 65 - HN LYS+ 66 14.286% * 99.6734% (1.00 10.0 3.31 12.79) = 99.673% kept HA VAL 73 - HN LYS+ 66 14.286% * 0.0988% (0.99 1.0 0.02 0.02) = 0.099% HB3 SER 49 - HN LYS+ 66 14.286% * 0.0884% (0.89 1.0 0.02 0.02) = 0.088% HA VAL 105 - HN LYS+ 66 14.286% * 0.0485% (0.49 1.0 0.02 0.02) = 0.049% HB THR 106 - HN LYS+ 66 14.286% * 0.0485% (0.49 1.0 0.02 0.02) = 0.049% HA ASP- 82 - HN LYS+ 66 14.286% * 0.0249% (0.25 1.0 0.02 0.02) = 0.025% HA VAL 87 - HN LYS+ 66 14.286% * 0.0175% (0.17 1.0 0.02 0.02) = 0.017% Peak 24 (0.72, 9.08, 129.85 ppm): 10 chemical-shift based assignments, quality = 0.644, support = 3.11, residual support = 14.7: QG2 VAL 65 - HN LYS+ 66 10.000% * 32.8306% (0.80 3.72 12.79) = 32.831% kept * HG3 LYS+ 66 - HN LYS+ 66 10.000% * 23.4153% (0.53 4.04 30.59) = 23.415% kept QG2 ILE 101 - HN LYS+ 66 10.000% * 16.9678% (0.71 2.16 9.40) = 16.968% kept QG1 VAL 65 - HN LYS+ 66 10.000% * 13.3685% (0.34 3.56 12.79) = 13.369% kept QD1 ILE 68 - HN LYS+ 66 10.000% * 8.4967% (0.87 0.89 0.02) = 8.497% kept HG3 LYS+ 44 - HN LYS+ 66 10.000% * 3.4296% (0.53 0.59 0.24) = 3.430% kept QG2 ILE 48 - HN LYS+ 66 10.000% * 0.9654% (0.75 0.12 0.02) = 0.965% HG LEU 74 - HN LYS+ 66 10.000% * 0.2126% (0.96 0.02 0.16) = 0.213% QG1 VAL 40 - HN LYS+ 66 10.000% * 0.1976% (0.90 0.02 0.02) = 0.198% QG2 THR 96 - HN LYS+ 66 10.000% * 0.1159% (0.53 0.02 0.02) = 0.116% Peak 25 (1.65, 9.08, 129.85 ppm): 13 chemical-shift based assignments, quality = 0.512, support = 3.94, residual support = 25.4: * O HB3 LYS+ 66 - HN LYS+ 66 7.692% * 79.4196% (0.53 10.0 4.37 30.59) = 79.420% kept HB ILE 100 - HN LYS+ 66 7.692% * 10.9955% (0.49 1.0 2.99 4.12) = 10.995% kept HG12 ILE 101 - HN LYS+ 66 7.692% * 6.5240% (0.41 1.0 2.10 9.40) = 6.524% kept HG2 ARG+ 22 - HN LYS+ 66 7.692% * 1.4922% (0.99 1.0 0.20 0.02) = 1.492% kept HB ILE 68 - HN LYS+ 66 7.692% * 0.6445% (0.37 1.0 0.23 0.02) = 0.645% HG3 ARG+ 84 - HN LYS+ 66 7.692% * 0.5778% (0.73 1.0 0.11 0.02) = 0.578% HG LEU 23 - HN LYS+ 66 7.692% * 0.0735% (0.49 1.0 0.02 0.02) = 0.073% HB3 MET 97 - HN LYS+ 66 7.692% * 0.0567% (0.37 1.0 0.02 0.02) = 0.057% HB VAL 122 - HN LYS+ 66 7.692% * 0.0567% (0.37 1.0 0.02 0.02) = 0.057% HG LEU 43 - HN LYS+ 66 7.692% * 0.0567% (0.37 1.0 0.02 0.02) = 0.057% HB3 MET 126 - HN LYS+ 66 7.692% * 0.0466% (0.31 1.0 0.02 0.02) = 0.047% HB3 LYS+ 81 - HN LYS+ 66 7.692% * 0.0299% (0.20 1.0 0.02 0.02) = 0.030% HG3 LYS+ 78 - HN LYS+ 66 7.692% * 0.0264% (0.17 1.0 0.02 0.02) = 0.026% Peak 26 (1.84, 9.08, 129.85 ppm): 12 chemical-shift based assignments, quality = 0.986, support = 3.1, residual support = 30.0: * O HB2 LYS+ 66 - HN LYS+ 66 8.333% * 98.0297% (1.00 10.0 3.15 30.59) = 98.030% kept HD2 PRO 59 - HN LYS+ 66 8.333% * 1.4785% (0.49 1.0 0.62 0.28) = 1.478% kept HB3 LYS+ 60 - HN LYS+ 66 8.333% * 0.0819% (0.83 1.0 0.02 0.02) = 0.082% HB2 PRO 59 - HN LYS+ 66 8.333% * 0.0819% (0.83 1.0 0.02 0.28) = 0.082% HB3 LYS+ 72 - HN LYS+ 66 8.333% * 0.0785% (0.80 1.0 0.02 0.02) = 0.078% HB2 PRO 104 - HN LYS+ 66 8.333% * 0.0749% (0.76 1.0 0.02 0.02) = 0.075% HB VAL 94 - HN LYS+ 66 8.333% * 0.0516% (0.53 1.0 0.02 0.02) = 0.052% HD3 LYS+ 117 - HN LYS+ 66 8.333% * 0.0368% (0.37 1.0 0.02 0.02) = 0.037% HG3 LYS+ 108 - HN LYS+ 66 8.333% * 0.0334% (0.34 1.0 0.02 0.02) = 0.033% HD3 LYS+ 72 - HN LYS+ 66 8.333% * 0.0218% (0.22 1.0 0.02 0.02) = 0.022% HG2 PRO 112 - HN LYS+ 66 8.333% * 0.0158% (0.16 1.0 0.02 0.02) = 0.016% HB2 GLU- 109 - HN LYS+ 66 8.333% * 0.0151% (0.15 1.0 0.02 0.02) = 0.015% Peak 27 (4.42, 9.08, 129.85 ppm): 11 chemical-shift based assignments, quality = 0.94, support = 3.54, residual support = 30.4: * O HA LYS+ 66 - HN LYS+ 66 9.091% * 99.4850% (0.94 10.0 3.56 30.59) = 99.485% kept HA LYS+ 111 - HN LYS+ 66 9.091% * 0.0912% (0.87 1.0 0.02 0.02) = 0.091% HB THR 24 - HN LYS+ 66 9.091% * 0.0878% (0.83 1.0 0.02 0.02) = 0.088% HA HIS+ 14 - HN LYS+ 66 9.091% * 0.0804% (0.76 1.0 0.02 0.02) = 0.080% HA PRO 86 - HN LYS+ 66 9.091% * 0.0638% (0.61 1.0 0.02 0.02) = 0.064% HA PRO 116 - HN LYS+ 66 9.091% * 0.0553% (0.53 1.0 0.02 0.02) = 0.055% HA PRO 112 - HN LYS+ 66 9.091% * 0.0472% (0.45 1.0 0.02 0.02) = 0.047% HA PRO 104 - HN LYS+ 66 9.091% * 0.0292% (0.28 1.0 0.02 0.02) = 0.029% HA MET 118 - HN LYS+ 66 9.091% * 0.0208% (0.20 1.0 0.02 0.02) = 0.021% HA THR 95 - HN LYS+ 66 9.091% * 0.0208% (0.20 1.0 0.02 0.90) = 0.021% HA ASN 57 - HN LYS+ 66 9.091% * 0.0184% (0.17 1.0 0.02 0.02) = 0.018% Peak 28 (0.54, 9.08, 129.85 ppm): 1 chemical-shift based assignment, quality = 0.448, support = 3.89, residual support = 9.4: QD1 ILE 101 - HN LYS+ 66 100.000% *100.0000% (0.45 3.89 9.40) = 100.000% kept Peak 29 (9.24, 9.08, 129.85 ppm): 1 chemical-shift based assignment, quality = 0.922, support = 1.68, residual support = 4.12: * T HN ILE 100 - HN LYS+ 66 100.000% *100.0000% (0.92 10.00 1.68 4.12) = 100.000% kept Peak 30 (4.17, 8.45, 129.16 ppm): 7 chemical-shift based assignments, quality = 0.768, support = 3.55, residual support = 9.97: * O HA VAL 73 - HN LEU 74 14.286% * 96.1389% (0.76 10.0 3.68 10.37) = 96.139% kept HB THR 106 - HN LEU 74 14.286% * 1.7733% (0.95 1.0 0.30 0.02) = 1.773% kept HA VAL 105 - HN LEU 74 14.286% * 1.7733% (0.95 1.0 0.30 0.02) = 1.773% kept HB3 SER 49 - HN LEU 74 14.286% * 0.1204% (0.96 1.0 0.02 0.71) = 0.120% HA VAL 65 - HN LEU 74 14.286% * 0.0864% (0.69 1.0 0.02 0.02) = 0.086% HA VAL 87 - HN LEU 74 14.286% * 0.0763% (0.61 1.0 0.02 0.02) = 0.076% HB2 SER 88 - HN LEU 74 14.286% * 0.0314% (0.25 1.0 0.02 0.02) = 0.031% Peak 31 (0.91, 8.45, 129.16 ppm): 12 chemical-shift based assignments, quality = 0.785, support = 1.73, residual support = 8.17: QD1 LEU 67 - HN LEU 74 8.333% * 30.8419% (0.87 2.55 17.19) = 30.842% kept QG2 VAL 40 - HN LEU 74 8.333% * 22.3506% (0.73 2.21 11.48) = 22.351% kept HG3 LYS+ 117 - HN LEU 74 8.333% * 15.9315% (0.92 1.24 1.02) = 15.932% kept QG1 VAL 47 - HN LEU 74 8.333% * 9.5635% (0.80 0.86 0.36) = 9.563% kept HG12 ILE 68 - HN LEU 74 8.333% * 9.1111% (0.61 1.08 1.08) = 9.111% kept QG2 VAL 80 - HN LEU 74 8.333% * 8.7688% (0.80 0.78 0.02) = 8.769% kept QG1 VAL 80 - HN LEU 74 8.333% * 1.5128% (0.38 0.29 0.02) = 1.513% kept QG2 VAL 105 - HN LEU 74 8.333% * 0.8215% (0.34 0.17 0.02) = 0.822% QG1 VAL 105 - HN LEU 74 8.333% * 0.6178% (0.28 0.16 0.02) = 0.618% QG2 VAL 87 - HN LEU 74 8.333% * 0.2026% (0.73 0.02 0.02) = 0.203% HG3 LYS+ 110 - HN LEU 74 8.333% * 0.1917% (0.69 0.02 0.02) = 0.192% QD1 LEU 17 - HN LEU 74 8.333% * 0.0861% (0.31 0.02 0.02) = 0.086% Peak 32 (0.71, 8.45, 129.16 ppm): 12 chemical-shift based assignments, quality = 0.684, support = 4.17, residual support = 103.7: * HG LEU 74 - HN LEU 74 8.333% * 64.2447% (0.73 5.73 159.05) = 64.245% kept QG1 VAL 40 - HN LEU 74 8.333% * 12.3634% (0.31 2.59 11.48) = 12.363% kept QG2 ILE 101 - HN LEU 74 8.333% * 10.8992% (0.98 0.72 0.02) = 10.899% kept QD1 ILE 68 - HN LEU 74 8.333% * 5.6967% (0.28 1.33 1.08) = 5.697% kept QG2 ILE 48 - HN LEU 74 8.333% * 3.2244% (0.91 0.23 0.02) = 3.224% kept QG2 THR 96 - HN LEU 74 8.333% * 2.6973% (1.00 0.18 0.02) = 2.697% kept QG1 VAL 65 - HN LEU 74 8.333% * 0.2852% (0.92 0.02 0.02) = 0.285% QD1 ILE 19 - HN LEU 74 8.333% * 0.1504% (0.49 0.02 0.02) = 0.150% QG2 VAL 94 - HN LEU 74 8.333% * 0.1270% (0.41 0.02 0.02) = 0.127% QG2 ILE 68 - HN LEU 74 8.333% * 0.1270% (0.41 0.02 1.08) = 0.127% HG12 ILE 19 - HN LEU 74 8.333% * 0.1159% (0.38 0.02 0.02) = 0.116% QG2 VAL 65 - HN LEU 74 8.333% * 0.0688% (0.22 0.02 0.02) = 0.069% Peak 33 (8.45, 8.45, 129.16 ppm): 1 diagonal assignment: * HN LEU 74 - HN LEU 74 (1.00) kept Peak 35 (0.45, 8.45, 129.16 ppm): 2 chemical-shift based assignments, quality = 0.8, support = 5.66, residual support = 158.9: * QD2 LEU 74 - HN LEU 74 50.000% * 99.9228% (0.80 5.66 159.05) = 99.923% kept QD2 LEU 43 - HN LEU 74 50.000% * 0.0772% (0.18 0.02 1.31) = 0.077% Peak 37 (4.96, 8.45, 129.16 ppm): 5 chemical-shift based assignments, quality = 0.555, support = 0.81, residual support = 12.1: HA MET 97 - HN LEU 74 20.000% * 39.4752% (0.64 0.66 1.03) = 39.475% kept HA SER 69 - HN LEU 74 20.000% * 27.9244% (0.17 1.72 41.97) = 27.924% kept HA ILE 101 - HN LEU 74 20.000% * 16.3653% (0.68 0.26 0.02) = 16.365% kept HA HIS+ 98 - HN LEU 74 20.000% * 15.3335% (0.94 0.18 0.02) = 15.333% kept HA ALA 33 - HN LEU 74 20.000% * 0.9016% (0.48 0.02 0.02) = 0.902% Reference assignment not found: HA ILE 68 - HN LEU 74 Peak 38 (8.90, 8.91, 128.65 ppm): 1 diagonal assignment: * HN GLN 102 - HN GLN 102 (0.92) kept Peak 39 (4.92, 8.91, 128.65 ppm): 2 chemical-shift based assignments, quality = 0.174, support = 3.7, residual support = 25.7: * O HA ILE 101 - HN GLN 102 50.000% * 99.8241% (0.17 10.0 3.71 25.73) = 99.824% kept HA ALA 33 - HN GLN 102 50.000% * 0.1759% (0.31 1.0 0.02 1.77) = 0.176% Peak 40 (0.70, 8.91, 128.65 ppm): 12 chemical-shift based assignments, quality = 0.905, support = 3.05, residual support = 16.6: * QG2 ILE 101 - HN GLN 102 8.333% * 63.8321% (0.99 4.22 25.73) = 63.832% kept QG1 VAL 65 - HN GLN 102 8.333% * 14.0183% (0.96 0.95 0.64) = 14.018% kept QG2 ILE 48 - HN GLN 102 8.333% * 12.0930% (0.92 0.86 0.02) = 12.093% kept QG2 VAL 65 - HN GLN 102 8.333% * 5.4443% (0.17 2.04 0.64) = 5.444% kept HG LEU 74 - HN GLN 102 8.333% * 3.0644% (0.64 0.31 0.02) = 3.064% kept QG1 VAL 40 - HN GLN 102 8.333% * 0.5707% (0.25 0.15 0.02) = 0.571% QG2 THR 96 - HN GLN 102 8.333% * 0.3039% (0.99 0.02 0.02) = 0.304% QD1 ILE 19 - HN GLN 102 8.333% * 0.1725% (0.56 0.02 0.02) = 0.172% QG2 VAL 94 - HN GLN 102 8.333% * 0.1483% (0.48 0.02 0.02) = 0.148% QG2 ILE 68 - HN GLN 102 8.333% * 0.1483% (0.48 0.02 0.02) = 0.148% HG12 ILE 19 - HN GLN 102 8.333% * 0.1366% (0.45 0.02 0.02) = 0.137% QD1 ILE 68 - HN GLN 102 8.333% * 0.0678% (0.22 0.02 0.02) = 0.068% Peak 41 (1.90, 8.91, 128.65 ppm): 12 chemical-shift based assignments, quality = 0.906, support = 3.63, residual support = 25.2: * O HB3 GLN 102 - HN GLN 102 8.333% * 91.2641% (0.92 10.0 3.90 27.62) = 91.264% kept HG2 GLU- 18 - HN GLN 102 8.333% * 4.5397% (0.76 1.0 1.20 0.77) = 4.540% kept HB2 PRO 112 - HN GLN 102 8.333% * 3.3632% (0.97 1.0 0.70 0.02) = 3.363% kept HG2 PRO 112 - HN GLN 102 8.333% * 0.3652% (0.28 1.0 0.27 0.02) = 0.365% HB3 ARG+ 53 - HN GLN 102 8.333% * 0.0986% (0.99 1.0 0.02 0.02) = 0.099% HB3 CYS 123 - HN GLN 102 8.333% * 0.0935% (0.94 1.0 0.02 0.02) = 0.094% HD3 LYS+ 63 - HN GLN 102 8.333% * 0.0756% (0.76 1.0 0.02 0.02) = 0.076% HB3 GLN 16 - HN GLN 102 8.333% * 0.0756% (0.76 1.0 0.02 1.71) = 0.076% HB2 LEU 23 - HN GLN 102 8.333% * 0.0481% (0.48 1.0 0.02 0.99) = 0.048% HB ILE 29 - HN GLN 102 8.333% * 0.0305% (0.31 1.0 0.02 0.02) = 0.031% HG3 LYS+ 120 - HN GLN 102 8.333% * 0.0305% (0.31 1.0 0.02 0.02) = 0.031% HD3 PRO 52 - HN GLN 102 8.333% * 0.0153% (0.15 1.0 0.02 0.02) = 0.015% Peak 42 (4.46, 8.91, 128.65 ppm): 8 chemical-shift based assignments, quality = 0.794, support = 3.33, residual support = 25.7: * O HA GLN 102 - HN GLN 102 12.500% * 92.9836% (0.80 10.0 3.48 27.62) = 92.984% kept HA ILE 100 - HN GLN 102 12.500% * 6.6458% (0.80 1.0 1.43 0.14) = 6.646% kept HA GLU- 50 - HN GLN 102 12.500% * 0.1121% (0.96 1.0 0.02 0.02) = 0.112% HA MET 118 - HN GLN 102 12.500% * 0.0970% (0.83 1.0 0.02 0.02) = 0.097% HA MET 126 - HN GLN 102 12.500% * 0.0704% (0.60 1.0 0.02 0.02) = 0.070% HA LYS+ 32 - HN GLN 102 12.500% * 0.0477% (0.41 1.0 0.02 1.39) = 0.048% HB THR 24 - HN GLN 102 12.500% * 0.0230% (0.20 1.0 0.02 0.02) = 0.023% HA LYS+ 111 - HN GLN 102 12.500% * 0.0203% (0.17 1.0 0.02 0.02) = 0.020% Peak 43 (0.53, 8.91, 128.65 ppm): 1 chemical-shift based assignment, quality = 0.197, support = 4.28, residual support = 25.7: * QD1 ILE 101 - HN GLN 102 100.000% *100.0000% (0.20 4.28 25.73) = 100.000% kept Peak 44 (2.14, 8.91, 128.65 ppm): 11 chemical-shift based assignments, quality = 0.706, support = 0.888, residual support = 0.291: HB3 GLU- 75 - HN GLN 102 9.091% * 51.6699% (0.74 1.27 0.55) = 51.670% kept HB VAL 47 - HN GLN 102 9.091% * 26.0159% (0.68 0.69 0.02) = 26.016% kept HG2 PRO 112 - HN GLN 102 9.091% * 13.3905% (0.91 0.27 0.02) = 13.390% kept HG2 PRO 104 - HN GLN 102 9.091% * 4.6113% (0.25 0.34 0.02) = 4.611% kept HB2 ASP- 28 - HN GLN 102 9.091% * 1.0702% (0.98 0.02 0.02) = 1.070% kept HB3 LYS+ 78 - HN GLN 102 9.091% * 0.9119% (0.83 0.02 0.02) = 0.912% HG2 GLU- 45 - HN GLN 102 9.091% * 0.8344% (0.76 0.02 0.02) = 0.834% HB VAL 105 - HN GLN 102 9.091% * 0.6181% (0.56 0.02 0.02) = 0.618% HB2 GLU- 56 - HN GLN 102 9.091% * 0.3724% (0.34 0.02 0.02) = 0.372% HB VAL 87 - HN GLN 102 9.091% * 0.3370% (0.31 0.02 0.35) = 0.337% HB3 LEU 43 - HN GLN 102 9.091% * 0.1685% (0.15 0.02 0.02) = 0.168% Peak 45 (4.18, 8.91, 128.65 ppm): 7 chemical-shift based assignments, quality = 0.884, support = 1.29, residual support = 0.62: HB3 SER 49 - HN GLN 102 14.286% * 47.7331% (0.87 1.46 0.68) = 47.733% kept * HA VAL 65 - HN GLN 102 14.286% * 46.2270% (0.99 1.25 0.64) = 46.227% kept HA ASP- 82 - HN GLN 102 14.286% * 4.5289% (0.27 0.44 0.02) = 4.529% kept HA VAL 73 - HN GLN 102 14.286% * 0.7292% (0.97 0.02 0.02) = 0.729% HA VAL 105 - HN GLN 102 14.286% * 0.3335% (0.44 0.02 0.02) = 0.334% HB THR 106 - HN GLN 102 14.286% * 0.3335% (0.44 0.02 0.02) = 0.334% HA VAL 87 - HN GLN 102 14.286% * 0.1148% (0.15 0.02 0.35) = 0.115% Peak 49 (8.73, 8.74, 127.82 ppm): 1 diagonal assignment: * HN ILE 101 - HN ILE 101 (0.90) kept Peak 50 (4.46, 8.74, 127.82 ppm): 8 chemical-shift based assignments, quality = 0.857, support = 4.78, residual support = 20.0: * O HA ILE 100 - HN ILE 101 12.500% * 84.7342% (0.87 10.0 5.08 19.28) = 84.734% kept HA GLN 102 - HN ILE 101 12.500% * 14.2109% (0.87 1.0 3.35 25.73) = 14.211% kept HA LYS+ 32 - HN ILE 101 12.500% * 0.7947% (0.49 1.0 0.33 1.03) = 0.795% HA GLU- 50 - HN ILE 101 12.500% * 0.0902% (0.92 1.0 0.02 0.02) = 0.090% HA MET 118 - HN ILE 101 12.500% * 0.0747% (0.76 1.0 0.02 0.02) = 0.075% HA MET 126 - HN ILE 101 12.500% * 0.0671% (0.69 1.0 0.02 0.02) = 0.067% HB THR 24 - HN ILE 101 12.500% * 0.0151% (0.15 1.0 0.02 0.02) = 0.015% HA LYS+ 111 - HN ILE 101 12.500% * 0.0132% (0.14 1.0 0.02 0.02) = 0.013% Peak 51 (2.06, 8.74, 127.82 ppm): 12 chemical-shift based assignments, quality = 0.787, support = 5.49, residual support = 106.6: * O HB ILE 101 - HN ILE 101 8.333% * 82.5202% (0.80 10.0 6.34 128.96) = 82.520% kept HB3 GLU- 75 - HN ILE 101 8.333% * 8.9513% (0.84 1.0 2.07 1.35) = 8.951% kept HG3 PRO 86 - HN ILE 101 8.333% * 4.2306% (0.61 1.0 1.35 0.11) = 4.231% kept HB VAL 62 - HN ILE 101 8.333% * 1.5349% (0.90 1.0 0.33 0.80) = 1.535% kept HB2 GLU- 45 - HN ILE 101 8.333% * 1.2958% (0.73 1.0 0.35 0.02) = 1.296% kept HB3 LYS+ 110 - HN ILE 101 8.333% * 1.2218% (0.25 1.0 0.95 0.77) = 1.222% kept HG2 PRO 112 - HN ILE 101 8.333% * 0.0746% (0.72 1.0 0.02 0.02) = 0.075% HB3 LYS+ 120 - HN ILE 101 8.333% * 0.0625% (0.61 1.0 0.02 0.02) = 0.063% HG2 GLN 16 - HN ILE 101 8.333% * 0.0462% (0.45 1.0 0.02 0.02) = 0.046% HD3 LYS+ 110 - HN ILE 101 8.333% * 0.0257% (0.25 1.0 0.02 0.77) = 0.026% HB2 LYS+ 110 - HN ILE 101 8.333% * 0.0204% (0.20 1.0 0.02 0.77) = 0.020% HB VAL 125 - HN ILE 101 8.333% * 0.0159% (0.15 1.0 0.02 0.02) = 0.016% Peak 52 (0.85, 8.74, 127.82 ppm): 7 chemical-shift based assignments, quality = 0.751, support = 4.28, residual support = 18.3: * QG2 ILE 100 - HN ILE 101 14.286% * 94.8627% (0.76 4.50 19.28) = 94.863% kept QG2 VAL 13 - HN ILE 101 14.286% * 2.8294% (0.80 0.13 0.02) = 2.829% kept QG1 VAL 13 - HN ILE 101 14.286% * 1.2970% (0.31 0.15 0.02) = 1.297% kept QD1 LEU 90 - HN ILE 101 14.286% * 0.4415% (0.80 0.02 0.02) = 0.441% HG2 LYS+ 117 - HN ILE 101 14.286% * 0.2901% (0.53 0.02 0.02) = 0.290% QD1 ILE 29 - HN ILE 101 14.286% * 0.1702% (0.31 0.02 0.02) = 0.170% QG2 VAL 125 - HN ILE 101 14.286% * 0.1091% (0.20 0.02 0.02) = 0.109% Peak 53 (1.61, 8.74, 127.82 ppm): 10 chemical-shift based assignments, quality = 0.63, support = 4.95, residual support = 107.2: * HG12 ILE 101 - HN ILE 101 10.000% * 83.0572% (0.65 5.87 128.96) = 83.057% kept HD3 LYS+ 32 - HN ILE 101 10.000% * 7.7345% (0.76 0.46 1.03) = 7.734% kept HB3 LYS+ 32 - HN ILE 101 10.000% * 4.8722% (0.28 0.80 1.03) = 4.872% kept HB3 PRO 52 - HN ILE 101 10.000% * 2.3540% (0.90 0.12 0.02) = 2.354% kept HG2 LYS+ 110 - HN ILE 101 10.000% * 0.4289% (0.98 0.02 0.77) = 0.429% HG3 LYS+ 78 - HN ILE 101 10.000% * 0.4039% (0.92 0.02 0.02) = 0.404% HG LEU 43 - HN ILE 101 10.000% * 0.3005% (0.69 0.02 0.02) = 0.301% HB VAL 122 - HN ILE 101 10.000% * 0.3005% (0.69 0.02 0.02) = 0.301% HB ILE 68 - HN ILE 101 10.000% * 0.3005% (0.69 0.02 0.10) = 0.301% HG LEU 23 - HN ILE 101 10.000% * 0.2477% (0.57 0.02 0.51) = 0.248% Peak 54 (1.26, 8.74, 127.82 ppm): 4 chemical-shift based assignments, quality = 0.34, support = 4.88, residual support = 106.3: * HG13 ILE 101 - HN ILE 101 25.000% * 82.3715% (0.28 5.87 128.96) = 82.371% kept HG2 LYS+ 32 - HN ILE 101 25.000% * 10.0118% (0.73 0.27 1.03) = 10.012% kept HB3 LEU 74 - HN ILE 101 25.000% * 7.2723% (0.53 0.27 0.02) = 7.272% kept HG2 LYS+ 81 - HN ILE 101 25.000% * 0.3444% (0.34 0.02 0.02) = 0.344% Peak 55 (0.71, 8.74, 127.82 ppm): 14 chemical-shift based assignments, quality = 0.836, support = 5.8, residual support = 104.9: * QG2 ILE 101 - HN ILE 101 7.143% * 80.9684% (0.88 7.02 128.96) = 80.968% kept QG2 ILE 48 - HN ILE 101 7.143% * 8.7923% (0.84 0.80 0.14) = 8.792% kept QG2 VAL 65 - HN ILE 101 7.143% * 4.7952% (0.49 0.75 5.65) = 4.795% kept QG1 VAL 65 - HN ILE 101 7.143% * 3.2678% (0.65 0.38 5.65) = 3.268% kept QG1 VAL 40 - HN ILE 101 7.143% * 1.2325% (0.61 0.15 0.59) = 1.233% kept HG LEU 74 - HN ILE 101 7.143% * 0.2535% (0.96 0.02 0.02) = 0.254% QG2 THR 96 - HN ILE 101 7.143% * 0.2194% (0.83 0.02 0.02) = 0.219% QD1 ILE 68 - HN ILE 101 7.143% * 0.1487% (0.57 0.02 0.10) = 0.149% HG3 LYS+ 44 - HN ILE 101 7.143% * 0.0655% (0.25 0.02 0.02) = 0.066% HG3 LYS+ 66 - HN ILE 101 7.143% * 0.0655% (0.25 0.02 9.40) = 0.066% QD1 ILE 19 - HN ILE 101 7.143% * 0.0585% (0.22 0.02 0.02) = 0.058% QG2 VAL 94 - HN ILE 101 7.143% * 0.0460% (0.17 0.02 0.02) = 0.046% QG2 ILE 68 - HN ILE 101 7.143% * 0.0460% (0.17 0.02 0.10) = 0.046% HG12 ILE 19 - HN ILE 101 7.143% * 0.0405% (0.15 0.02 0.02) = 0.041% Peak 56 (0.54, 8.74, 127.82 ppm): 1 chemical-shift based assignment, quality = 0.486, support = 5.93, residual support = 129.0: * QD1 ILE 101 - HN ILE 101 100.000% *100.0000% (0.49 5.93 128.96) = 100.000% kept Peak 57 (4.47, 8.35, 127.86 ppm): 8 chemical-shift based assignments, quality = 0.951, support = 2.17, residual support = 8.23: * O HA GLN 102 - HN ALA 103 12.500% * 99.5622% (0.96 10.0 2.18 8.27) = 99.562% kept HA ILE 100 - HN ALA 103 12.500% * 0.0996% (0.96 1.0 0.02 0.02) = 0.100% HA MET 126 - HN ALA 103 12.500% * 0.0881% (0.85 1.0 0.02 0.02) = 0.088% HA GLU- 50 - HN ALA 103 12.500% * 0.0776% (0.75 1.0 0.02 0.02) = 0.078% HA LYS+ 32 - HN ALA 103 12.500% * 0.0698% (0.67 1.0 0.02 0.02) = 0.070% HA MET 118 - HN ALA 103 12.500% * 0.0575% (0.55 1.0 0.02 0.02) = 0.058% HA SER 77 - HN ALA 103 12.500% * 0.0226% (0.22 1.0 0.02 0.02) = 0.023% HA CYS 123 - HN ALA 103 12.500% * 0.0226% (0.22 1.0 0.02 0.02) = 0.023% Peak 58 (1.29, 8.35, 127.86 ppm): 7 chemical-shift based assignments, quality = 0.867, support = 2.62, residual support = 7.69: * O QB ALA 103 - HN ALA 103 14.286% * 96.8248% (0.87 10.0 2.69 7.94) = 96.825% kept HG13 ILE 101 - HN ALA 103 14.286% * 2.8857% (0.71 1.0 0.74 0.02) = 2.886% kept HB2 LYS+ 55 - HN ALA 103 14.286% * 0.1080% (0.97 1.0 0.02 0.02) = 0.108% HG2 LYS+ 81 - HN ALA 103 14.286% * 0.0698% (0.63 1.0 0.02 0.02) = 0.070% HB3 LEU 74 - HN ALA 103 14.286% * 0.0484% (0.44 1.0 0.02 0.02) = 0.048% QG2 THR 46 - HN ALA 103 14.286% * 0.0333% (0.30 1.0 0.02 0.31) = 0.033% HG2 LYS+ 32 - HN ALA 103 14.286% * 0.0300% (0.27 1.0 0.02 0.02) = 0.030% Peak 59 (1.89, 8.35, 127.86 ppm): 12 chemical-shift based assignments, quality = 0.583, support = 1.66, residual support = 4.41: * HB3 GLN 102 - HN ALA 103 8.333% * 52.3083% (0.44 2.81 8.27) = 52.308% kept HG2 GLU- 18 - HN ALA 103 8.333% * 20.0237% (0.97 0.49 0.02) = 20.024% kept HB3 GLN 16 - HN ALA 103 8.333% * 9.7759% (0.97 0.24 0.02) = 9.776% kept HB2 PRO 112 - HN ALA 103 8.333% * 7.4562% (0.65 0.27 0.53) = 7.456% kept HG2 PRO 112 - HN ALA 103 8.333% * 7.1922% (0.24 0.70 0.53) = 7.192% kept HB3 CYS 123 - HN ALA 103 8.333% * 0.7215% (0.85 0.02 0.02) = 0.721% HG3 LYS+ 120 - HN ALA 103 8.333% * 0.6660% (0.78 0.02 0.02) = 0.666% HB3 ARG+ 53 - HN ALA 103 8.333% * 0.6040% (0.71 0.02 0.02) = 0.604% HD3 PRO 52 - HN ALA 103 8.333% * 0.4709% (0.55 0.02 0.02) = 0.471% HB3 ARG+ 84 - HN ALA 103 8.333% * 0.4376% (0.51 0.02 0.02) = 0.438% HD3 LYS+ 63 - HN ALA 103 8.333% * 0.2313% (0.27 0.02 0.02) = 0.231% HD2 PRO 59 - HN ALA 103 8.333% * 0.1126% (0.13 0.02 0.02) = 0.113% Peak 60 (8.35, 8.35, 127.86 ppm): 1 diagonal assignment: * HN ALA 103 - HN ALA 103 (0.97) kept Peak 61 (4.76, 8.35, 127.86 ppm): 1 chemical-shift based assignment, quality = 0.513, support = 0.0789, residual support = 0.02: HA ASN 15 - HN ALA 103 100.000% *100.0000% (0.51 0.08 0.02) = 100.000% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 62 (2.14, 8.35, 127.86 ppm): 10 chemical-shift based assignments, quality = 0.743, support = 0.782, residual support = 1.87: HB VAL 47 - HN ALA 103 10.000% * 31.9650% (0.81 1.07 0.51) = 31.965% kept HG2 PRO 112 - HN ALA 103 10.000% * 22.9823% (0.90 0.70 0.53) = 22.982% kept HG2 PRO 104 - HN ALA 103 10.000% * 14.3009% (0.37 1.07 11.06) = 14.301% kept HB3 GLU- 75 - HN ALA 103 10.000% * 13.4387% (0.69 0.53 0.02) = 13.439% kept HB2 ASP- 28 - HN ALA 103 10.000% * 12.6533% (0.87 0.40 0.02) = 12.653% kept HG2 GLU- 45 - HN ALA 103 10.000% * 3.3914% (0.59 0.16 0.02) = 3.391% kept HB3 LYS+ 78 - HN ALA 103 10.000% * 0.6751% (0.92 0.02 0.02) = 0.675% HB VAL 105 - HN ALA 103 10.000% * 0.2934% (0.40 0.02 0.39) = 0.293% HB2 GLU- 56 - HN ALA 103 10.000% * 0.1589% (0.22 0.02 0.02) = 0.159% HB VAL 87 - HN ALA 103 10.000% * 0.1412% (0.19 0.02 0.02) = 0.141% Peak 63 (8.90, 8.35, 127.86 ppm): 2 chemical-shift based assignments, quality = 0.953, support = 2.58, residual support = 8.24: * HN GLN 102 - HN ALA 103 50.000% * 99.7312% (0.96 2.58 8.27) = 99.731% kept HN ASP- 36 - HN ALA 103 50.000% * 0.2688% (0.33 0.02 0.02) = 0.269% Peak 64 (0.20, 8.43, 127.49 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 65 (3.53, 8.43, 127.49 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 66 (8.95, 8.96, 127.54 ppm): 1 diagonal assignment: * HN MET 97 - HN MET 97 (0.76) kept Peak 67 (4.84, 8.96, 127.54 ppm): 4 chemical-shift based assignments, quality = 0.754, support = 2.09, residual support = 4.72: * O HA THR 96 - HN MET 97 25.000% * 98.0970% (0.76 10.0 2.11 4.81) = 98.097% kept HA GLU- 18 - HN MET 97 25.000% * 1.8086% (0.22 1.0 1.27 0.02) = 1.809% kept HA ASP- 115 - HN MET 97 25.000% * 0.0625% (0.49 1.0 0.02 0.02) = 0.062% HB THR 39 - HN MET 97 25.000% * 0.0320% (0.25 1.0 0.02 0.02) = 0.032% Peak 68 (1.66, 8.96, 127.54 ppm): 10 chemical-shift based assignments, quality = 0.782, support = 2.7, residual support = 11.5: * O HB3 MET 97 - HN MET 97 10.000% * 89.0552% (0.80 10.0 2.88 12.71) = 89.055% kept HG2 ARG+ 22 - HN MET 97 10.000% * 4.6260% (0.69 1.0 1.21 0.98) = 4.626% kept HB ILE 100 - HN MET 97 10.000% * 3.7870% (0.90 1.0 0.76 0.02) = 3.787% kept HG13 ILE 19 - HN MET 97 10.000% * 2.1325% (0.15 1.0 2.49 8.12) = 2.133% kept HG3 ARG+ 84 - HN MET 97 10.000% * 0.1110% (1.00 1.0 0.02 0.02) = 0.111% HB3 LYS+ 66 - HN MET 97 10.000% * 0.1027% (0.92 1.0 0.02 0.02) = 0.103% HB3 MET 126 - HN MET 97 10.000% * 0.0808% (0.73 1.0 0.02 0.02) = 0.081% HB3 LYS+ 81 - HN MET 97 10.000% * 0.0630% (0.57 1.0 0.02 0.02) = 0.063% HD3 LYS+ 55 - HN MET 97 10.000% * 0.0248% (0.22 1.0 0.02 0.02) = 0.025% HG LEU 23 - HN MET 97 10.000% * 0.0172% (0.15 1.0 0.02 0.02) = 0.017% Peak 69 (0.69, 8.96, 127.54 ppm): 10 chemical-shift based assignments, quality = 0.896, support = 2.47, residual support = 6.7: HG12 ILE 19 - HN MET 97 10.000% * 36.4438% (0.97 2.89 8.12) = 36.444% kept QD1 ILE 19 - HN MET 97 10.000% * 35.1704% (1.00 2.69 8.12) = 35.170% kept * QG2 THR 96 - HN MET 97 10.000% * 18.2153% (0.57 2.46 4.81) = 18.215% kept QG2 ILE 101 - HN MET 97 10.000% * 4.3122% (0.90 0.37 0.02) = 4.312% kept QG2 VAL 94 - HN MET 97 10.000% * 3.3094% (0.98 0.26 0.02) = 3.309% kept QG2 ILE 68 - HN MET 97 10.000% * 1.9107% (0.98 0.15 0.46) = 1.911% kept QG2 ILE 48 - HN MET 97 10.000% * 0.2600% (0.99 0.02 0.02) = 0.260% QG1 VAL 65 - HN MET 97 10.000% * 0.2000% (0.76 0.02 0.02) = 0.200% QG1 VAL 62 - HN MET 97 10.000% * 0.1377% (0.53 0.02 0.02) = 0.138% HG LEU 74 - HN MET 97 10.000% * 0.0404% (0.15 0.02 1.03) = 0.040% Peak 70 (4.69, 8.96, 127.54 ppm): 9 chemical-shift based assignments, quality = 0.548, support = 0.585, residual support = 1.12: HA GLN 16 - HN MET 97 11.111% * 59.5138% (0.61 0.70 0.96) = 59.514% kept HA VAL 99 - HN MET 97 11.111% * 32.3840% (0.45 0.52 1.69) = 32.384% kept HA ASN 89 - HN MET 97 11.111% * 2.5136% (0.90 0.02 0.02) = 2.514% kept HA TYR 83 - HN MET 97 11.111% * 1.9252% (0.69 0.02 0.02) = 1.925% kept HA PRO 35 - HN MET 97 11.111% * 1.2566% (0.45 0.02 0.02) = 1.257% kept HA THR 61 - HN MET 97 11.111% * 0.8651% (0.31 0.02 0.02) = 0.865% HA LYS+ 120 - HN MET 97 11.111% * 0.5547% (0.20 0.02 0.02) = 0.555% HA THR 39 - HN MET 97 11.111% * 0.5547% (0.20 0.02 0.02) = 0.555% HA2 GLY 30 - HN MET 97 11.111% * 0.4325% (0.15 0.02 0.02) = 0.432% Peak 71 (4.94, 8.96, 127.54 ppm): 3 chemical-shift based assignments, quality = 0.774, support = 1.08, residual support = 2.76: HA HIS+ 98 - HN MET 97 33.333% * 69.5280% (0.69 1.46 3.95) = 69.528% kept HA ILE 101 - HN MET 97 33.333% * 16.0353% (0.95 0.24 0.02) = 16.035% kept HA ALA 33 - HN MET 97 33.333% * 14.4367% (1.00 0.21 0.02) = 14.437% kept Reference assignment not found: HA MET 97 - HN MET 97 Peak 72 (5.26, 8.96, 127.54 ppm): 1 chemical-shift based assignment, quality = 0.764, support = 0.762, residual support = 1.81: HA PHE 21 - HN MET 97 100.000% *100.0000% (0.76 0.76 1.81) = 100.000% kept Peak 73 (8.58, 8.96, 127.54 ppm): 4 chemical-shift based assignments, quality = 0.445, support = 4.44, residual support = 7.9: * T HN LYS+ 20 - HN MET 97 25.000% * 99.3436% (0.45 10.00 4.47 7.95) = 99.344% kept HN VAL 80 - HN MET 97 25.000% * 0.2196% (0.99 1.00 0.02 0.02) = 0.220% HN VAL 73 - HN MET 97 25.000% * 0.2196% (0.99 1.00 0.02 0.02) = 0.220% HN THR 39 - HN MET 97 25.000% * 0.2172% (0.98 1.00 0.02 0.02) = 0.217% Peak 74 (8.32, 8.32, 127.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 75 (0.85, 8.32, 127.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 76 (4.13, 8.32, 127.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 77 (1.81, 8.32, 127.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 78 (7.99, 8.01, 126.97 ppm): 1 diagonal assignment: * HN MET 126 - HN MET 126 (0.81) kept Peak 79 (4.19, 8.01, 126.97 ppm): 6 chemical-shift based assignments, quality = 0.849, support = 0.21, residual support = 0.02: HA VAL 65 - HN MET 126 16.667% * 81.1967% (0.89 0.25 0.02) = 81.197% kept HA VAL 73 - HN MET 126 16.667% * 6.0007% (0.84 0.02 0.02) = 6.001% kept HB3 SER 49 - HN MET 126 16.667% * 5.8543% (0.82 0.02 0.02) = 5.854% kept HA ASP- 82 - HN MET 126 16.667% * 3.1015% (0.43 0.02 0.02) = 3.101% kept HB THR 106 - HN MET 126 16.667% * 1.9234% (0.27 0.02 0.02) = 1.923% kept HA VAL 105 - HN MET 126 16.667% * 1.9234% (0.27 0.02 0.02) = 1.923% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 80 (1.61, 8.35, 126.71 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 81 (8.34, 8.35, 126.71 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 82 (0.85, 8.35, 126.71 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 83 (4.66, 8.88, 126.48 ppm): 4 chemical-shift based assignments, quality = 0.894, support = 3.13, residual support = 16.1: * O HA PRO 35 - HN ASP- 36 25.000% * 99.7627% (0.90 10.0 3.14 16.09) = 99.763% kept HA LYS+ 120 - HN ASP- 36 25.000% * 0.1110% (1.00 1.0 0.02 0.02) = 0.111% HA TYR 83 - HN ASP- 36 25.000% * 0.0764% (0.69 1.0 0.02 0.02) = 0.076% HA ASN 89 - HN ASP- 36 25.000% * 0.0499% (0.45 1.0 0.02 0.02) = 0.050% Peak 84 (2.64, 8.88, 126.48 ppm): 5 chemical-shift based assignments, quality = 0.723, support = 3.72, residual support = 20.1: * O HB3 ASP- 36 - HN ASP- 36 20.000% * 99.7397% (0.73 10.0 3.73 20.13) = 99.740% kept HB3 ASP- 82 - HN ASP- 36 20.000% * 0.1147% (0.83 1.0 0.02 0.02) = 0.115% HB2 ASP- 25 - HN ASP- 36 20.000% * 0.0669% (0.49 1.0 0.02 0.02) = 0.067% HE3 LYS+ 20 - HN ASP- 36 20.000% * 0.0516% (0.37 1.0 0.02 0.02) = 0.052% HE2 LYS+ 120 - HN ASP- 36 20.000% * 0.0272% (0.20 1.0 0.02 0.02) = 0.027% Peak 85 (8.87, 8.88, 126.48 ppm): 1 diagonal assignment: * HN ASP- 36 - HN ASP- 36 (0.87) kept Peak 86 (2.52, 8.88, 126.48 ppm): 4 chemical-shift based assignments, quality = 0.984, support = 3.88, residual support = 19.7: * O HB2 ASP- 36 - HN ASP- 36 25.000% * 97.8650% (1.00 10.0 3.93 20.13) = 97.865% kept HG2 PRO 112 - HN ASP- 36 25.000% * 2.0123% (0.31 1.0 1.32 1.46) = 2.012% kept HB2 ASP- 115 - HN ASP- 36 25.000% * 0.0672% (0.69 1.0 0.02 0.02) = 0.067% HB3 PRO 59 - HN ASP- 36 25.000% * 0.0554% (0.57 1.0 0.02 0.02) = 0.055% Peak 87 (4.28, 8.88, 126.48 ppm): 18 chemical-shift based assignments, quality = 0.526, support = 3.53, residual support = 19.0: * O HA ASP- 36 - HN ASP- 36 5.556% * 94.3027% (0.53 10.0 3.73 20.13) = 94.303% kept HA LEU 90 - HN ASP- 36 5.556% * 2.1477% (0.99 1.0 0.24 0.02) = 2.148% kept HA GLU- 75 - HN ASP- 36 5.556% * 1.8436% (0.53 1.0 0.39 0.02) = 1.844% kept HA VAL 122 - HN ASP- 36 5.556% * 0.1792% (1.00 1.0 0.02 0.02) = 0.179% HA VAL 94 - HN ASP- 36 5.556% * 0.1696% (0.94 1.0 0.02 0.02) = 0.170% HA ARG+ 84 - HN ASP- 36 5.556% * 0.1655% (0.92 1.0 0.02 0.02) = 0.165% HA SER 85 - HN ASP- 36 5.556% * 0.1655% (0.92 1.0 0.02 0.02) = 0.165% HA PRO 52 - HN ASP- 36 5.556% * 0.1655% (0.92 1.0 0.02 0.02) = 0.165% HB3 CYS 121 - HN ASP- 36 5.556% * 0.1607% (0.90 1.0 0.02 0.02) = 0.161% HA THR 106 - HN ASP- 36 5.556% * 0.1435% (0.80 1.0 0.02 0.02) = 0.144% HA CYS 121 - HN ASP- 36 5.556% * 0.1370% (0.76 1.0 0.02 0.02) = 0.137% HA GLU- 56 - HN ASP- 36 5.556% * 0.1302% (0.73 1.0 0.02 0.02) = 0.130% HA GLU- 64 - HN ASP- 36 5.556% * 0.1015% (0.57 1.0 0.02 0.02) = 0.101% HA ASN 119 - HN ASP- 36 5.556% * 0.0447% (0.25 1.0 0.02 0.02) = 0.045% HA GLU- 107 - HN ASP- 36 5.556% * 0.0447% (0.25 1.0 0.02 0.02) = 0.045% HA ASN 76 - HN ASP- 36 5.556% * 0.0399% (0.22 1.0 0.02 0.02) = 0.040% HA ALA 11 - HN ASP- 36 5.556% * 0.0314% (0.17 1.0 0.02 0.02) = 0.031% HB3 SER 49 - HN ASP- 36 5.556% * 0.0273% (0.15 1.0 0.02 0.02) = 0.027% Peak 88 (7.76, 8.88, 126.48 ppm): 4 chemical-shift based assignments, quality = 0.996, support = 5.05, residual support = 18.9: * T HN ALA 37 - HN ASP- 36 25.000% * 87.6254% (1.00 10.00 5.57 21.57) = 87.625% kept HN VAL 125 - HN ASP- 36 25.000% * 6.8141% (0.99 1.00 1.57 0.21) = 6.814% kept HN SER 124 - HN ASP- 36 25.000% * 5.5431% (1.00 1.00 1.26 0.24) = 5.543% kept HN ALA 42 - HN ASP- 36 25.000% * 0.0174% (0.20 1.00 0.02 0.02) = 0.017% Peak 89 (1.92, 8.88, 126.48 ppm): 13 chemical-shift based assignments, quality = 0.574, support = 0.791, residual support = 1.0: HB2 PRO 112 - HN ASP- 36 7.692% * 36.7052% (0.67 0.75 1.46) = 36.705% kept HG2 PRO 112 - HN ASP- 36 7.692% * 31.4350% (0.33 1.32 1.46) = 31.435% kept HB2 PRO 116 - HN ASP- 36 7.692% * 23.5602% (0.76 0.42 0.02) = 23.560% kept HB ILE 29 - HN ASP- 36 7.692% * 1.4477% (0.99 0.02 0.02) = 1.448% kept HB2 LEU 23 - HN ASP- 36 7.692% * 1.4317% (0.98 0.02 0.02) = 1.432% kept HD3 LYS+ 63 - HN ASP- 36 7.692% * 1.1696% (0.80 0.02 0.02) = 1.170% kept HB2 GLU- 10 - HN ASP- 36 7.692% * 1.1162% (0.76 0.02 0.02) = 1.116% kept HB3 GLN 102 - HN ASP- 36 7.692% * 0.8859% (0.61 0.02 0.02) = 0.886% HB2 GLU- 75 - HN ASP- 36 7.692% * 0.6548% (0.45 0.02 0.02) = 0.655% HB3 ARG+ 53 - HN ASP- 36 7.692% * 0.4982% (0.34 0.02 0.02) = 0.498% HB3 LYS+ 55 - HN ASP- 36 7.692% * 0.4061% (0.28 0.02 0.02) = 0.406% HG3 PRO 31 - HN ASP- 36 7.692% * 0.3642% (0.25 0.02 0.02) = 0.364% HB3 CYS 123 - HN ASP- 36 7.692% * 0.3252% (0.22 0.02 0.02) = 0.325% Reference assignment not found: HB2 PRO 35 - HN ASP- 36 Peak 90 (2.10, 8.88, 126.48 ppm): 14 chemical-shift based assignments, quality = 0.826, support = 0.991, residual support = 1.0: HG2 PRO 112 - HN ASP- 36 7.143% * 68.0524% (0.84 1.32 1.46) = 68.052% kept HB3 GLU- 75 - HN ASP- 36 7.143% * 23.5165% (0.98 0.39 0.02) = 23.516% kept HB3 LEU 43 - HN ASP- 36 7.143% * 1.1552% (0.94 0.02 0.02) = 1.155% kept HB VAL 65 - HN ASP- 36 7.143% * 1.1274% (0.92 0.02 0.02) = 1.127% kept HB2 MET 118 - HN ASP- 36 7.143% * 0.9333% (0.76 0.02 0.02) = 0.933% HB VAL 87 - HN ASP- 36 7.143% * 0.9333% (0.76 0.02 0.02) = 0.933% HB2 GLU- 56 - HN ASP- 36 7.143% * 0.8868% (0.73 0.02 0.02) = 0.887% HB VAL 125 - HN ASP- 36 7.143% * 0.7407% (0.61 0.02 0.21) = 0.741% HB2 LYS+ 110 - HN ASP- 36 7.143% * 0.6425% (0.53 0.02 0.02) = 0.643% HB VAL 105 - HN ASP- 36 7.143% * 0.5944% (0.49 0.02 0.02) = 0.594% HD3 LYS+ 110 - HN ASP- 36 7.143% * 0.5475% (0.45 0.02 0.02) = 0.548% HG2 GLU- 45 - HN ASP- 36 7.143% * 0.3769% (0.31 0.02 0.02) = 0.377% HG2 GLN 16 - HN ASP- 36 7.143% * 0.3045% (0.25 0.02 0.02) = 0.305% HB3 LYS+ 120 - HN ASP- 36 7.143% * 0.1884% (0.15 0.02 0.02) = 0.188% Peak 91 (4.26, 8.78, 126.61 ppm): 21 chemical-shift based assignments, quality = 0.766, support = 3.93, residual support = 20.4: * O HA VAL 94 - HN THR 95 4.762% * 90.0128% (0.76 10.0 4.22 22.36) = 90.013% kept HA GLU- 56 - HN THR 95 4.762% * 8.4761% (0.96 1.0 1.49 2.82) = 8.476% kept HA PRO 59 - HN THR 95 4.762% * 0.2907% (0.48 1.0 0.10 0.02) = 0.291% HA GLU- 64 - HN THR 95 4.762% * 0.1178% (1.00 1.0 0.02 0.02) = 0.118% HA GLU- 75 - HN THR 95 4.762% * 0.1175% (0.99 1.0 0.02 0.02) = 0.118% HA ASN 119 - HN THR 95 4.762% * 0.0984% (0.83 1.0 0.02 0.02) = 0.098% HA GLU- 107 - HN THR 95 4.762% * 0.0984% (0.83 1.0 0.02 0.02) = 0.098% HA SER 85 - HN THR 95 4.762% * 0.0943% (0.80 1.0 0.02 0.02) = 0.094% HA ARG+ 84 - HN THR 95 4.762% * 0.0943% (0.80 1.0 0.02 0.02) = 0.094% HA ASN 76 - HN THR 95 4.762% * 0.0943% (0.80 1.0 0.02 0.02) = 0.094% HA PRO 52 - HN THR 95 4.762% * 0.0943% (0.80 1.0 0.02 0.02) = 0.094% HA ALA 11 - HN THR 95 4.762% * 0.0855% (0.72 1.0 0.02 0.02) = 0.086% HA VAL 122 - HN THR 95 4.762% * 0.0667% (0.56 1.0 0.02 0.02) = 0.067% HA LEU 90 - HN THR 95 4.762% * 0.0573% (0.48 1.0 0.02 0.02) = 0.057% HB3 CYS 121 - HN THR 95 4.762% * 0.0364% (0.31 1.0 0.02 0.02) = 0.036% HA GLU- 10 - HN THR 95 4.762% * 0.0294% (0.25 1.0 0.02 0.02) = 0.029% HA LYS+ 108 - HN THR 95 4.762% * 0.0294% (0.25 1.0 0.02 0.02) = 0.029% HA GLU- 54 - HN THR 95 4.762% * 0.0294% (0.25 1.0 0.02 0.02) = 0.029% HB3 SER 49 - HN THR 95 4.762% * 0.0276% (0.23 1.0 0.02 0.02) = 0.028% HA THR 106 - HN THR 95 4.762% * 0.0262% (0.22 1.0 0.02 0.02) = 0.026% HA CYS 121 - HN THR 95 4.762% * 0.0233% (0.20 1.0 0.02 0.02) = 0.023% Peak 92 (8.77, 8.78, 126.61 ppm): 1 diagonal assignment: * HN THR 95 - HN THR 95 (0.86) kept Peak 93 (3.99, 8.78, 126.61 ppm): 3 chemical-shift based assignments, quality = 0.56, support = 4.41, residual support = 29.7: * O HB THR 95 - HN THR 95 33.333% * 98.7891% (0.56 10.0 4.46 30.02) = 98.789% kept HA THR 38 - HN THR 95 33.333% * 1.0364% (0.37 1.0 0.32 0.02) = 1.036% kept HA1 GLY 92 - HN THR 95 33.333% * 0.1745% (1.00 1.0 0.02 0.02) = 0.174% Peak 94 (0.67, 8.78, 126.61 ppm): 7 chemical-shift based assignments, quality = 0.44, support = 4.53, residual support = 28.0: HG12 ILE 19 - HN THR 95 14.286% * 35.3721% (0.45 4.96 34.03) = 35.372% kept * QG2 VAL 94 - HN THR 95 14.286% * 30.7768% (0.41 4.71 22.36) = 30.777% kept QD1 ILE 19 - HN THR 95 14.286% * 26.6242% (0.34 4.91 34.03) = 26.624% kept QG2 ILE 48 - HN THR 95 14.286% * 5.8026% (0.94 0.38 0.02) = 5.803% kept QG1 VAL 62 - HN THR 95 14.286% * 1.1695% (0.92 0.08 0.02) = 1.169% kept QG2 ILE 68 - HN THR 95 14.286% * 0.1308% (0.41 0.02 0.02) = 0.131% QG2 ILE 101 - HN THR 95 14.286% * 0.1240% (0.39 0.02 0.02) = 0.124% Peak 95 (1.07, 8.78, 126.61 ppm): 1 chemical-shift based assignment, quality = 0.604, support = 4.83, residual support = 30.0: * QG2 THR 95 - HN THR 95 100.000% *100.0000% (0.60 4.83 30.02) = 100.000% kept Peak 96 (4.86, 8.78, 126.61 ppm): 3 chemical-shift based assignments, quality = 0.622, support = 3.41, residual support = 24.2: HA THR 96 - HN THR 95 33.333% * 48.6804% (0.68 3.22 17.55) = 48.680% kept * HA ILE 19 - HN THR 95 33.333% * 45.9809% (0.52 3.97 34.03) = 45.981% kept HA ASP- 115 - HN THR 95 33.333% * 5.3387% (0.92 0.26 0.02) = 5.339% kept Peak 97 (4.40, 8.78, 126.61 ppm): 14 chemical-shift based assignments, quality = 0.977, support = 4.34, residual support = 28.8: * O HA THR 95 - HN THR 95 7.143% * 95.7761% (0.99 10.0 4.51 30.02) = 95.776% kept HA ASN 57 - HN THR 95 7.143% * 2.6439% (0.99 1.0 0.56 0.02) = 2.644% kept HA PRO 116 - HN THR 95 7.143% * 0.9892% (0.83 1.0 0.25 0.02) = 0.989% HA PRO 104 - HN THR 95 7.143% * 0.0951% (0.99 1.0 0.02 0.02) = 0.095% HA PRO 112 - HN THR 95 7.143% * 0.0861% (0.89 1.0 0.02 0.02) = 0.086% HA PRO 86 - HN THR 95 7.143% * 0.0734% (0.76 1.0 0.02 0.02) = 0.073% HA SER 88 - HN THR 95 7.143% * 0.0697% (0.72 1.0 0.02 0.02) = 0.070% HA ALA 91 - HN THR 95 7.143% * 0.0582% (0.60 1.0 0.02 0.02) = 0.058% HA HIS+ 14 - HN THR 95 7.143% * 0.0582% (0.60 1.0 0.02 0.02) = 0.058% HA SER 27 - HN THR 95 7.143% * 0.0360% (0.37 1.0 0.02 0.02) = 0.036% HA LYS+ 66 - HN THR 95 7.143% * 0.0360% (0.37 1.0 0.02 0.90) = 0.036% HA ALA 37 - HN THR 95 7.143% * 0.0327% (0.34 1.0 0.02 0.02) = 0.033% HA LYS+ 60 - HN THR 95 7.143% * 0.0239% (0.25 1.0 0.02 0.02) = 0.024% HA TRP 51 - HN THR 95 7.143% * 0.0214% (0.22 1.0 0.02 0.02) = 0.021% Peak 98 (1.84, 8.78, 126.61 ppm): 11 chemical-shift based assignments, quality = 0.655, support = 3.14, residual support = 15.3: * HB VAL 94 - HN THR 95 9.091% * 67.8741% (0.56 4.45 22.36) = 67.874% kept HB2 LYS+ 66 - HN THR 95 9.091% * 14.2836% (0.99 0.53 0.90) = 14.284% kept HB3 LYS+ 60 - HN THR 95 9.091% * 8.0085% (0.86 0.34 0.02) = 8.009% kept HB3 LYS+ 72 - HN THR 95 9.091% * 4.3761% (0.83 0.19 0.02) = 4.376% kept HB2 PRO 59 - HN THR 95 9.091% * 2.1872% (0.80 0.10 0.02) = 2.187% kept HD2 PRO 59 - HN THR 95 9.091% * 1.4371% (0.52 0.10 0.02) = 1.437% kept HD3 LYS+ 72 - HN THR 95 9.091% * 0.9642% (0.20 0.18 0.02) = 0.964% HB2 PRO 104 - HN THR 95 9.091% * 0.4314% (0.80 0.02 0.02) = 0.431% HD3 LYS+ 117 - HN THR 95 9.091% * 0.1838% (0.34 0.02 0.02) = 0.184% HG3 LYS+ 108 - HN THR 95 9.091% * 0.1663% (0.31 0.02 0.02) = 0.166% HG2 PRO 112 - HN THR 95 9.091% * 0.0878% (0.16 0.02 0.02) = 0.088% Peak 99 (4.05, 8.35, 126.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 100 (0.86, 8.35, 126.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 101 (8.33, 8.35, 126.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 102 (7.86, 7.85, 126.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 104 (4.06, 8.31, 126.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 105 (8.30, 8.31, 126.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 106 (1.78, 8.31, 126.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 107 (0.84, 8.31, 126.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 108 (4.37, 8.28, 126.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 109 (1.39, 8.28, 126.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 110 (4.12, 8.47, 126.06 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 111 (8.47, 8.47, 126.06 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 112 (7.76, 7.75, 125.98 ppm): 2 diagonal assignments: * HN VAL 125 - HN VAL 125 (0.81) kept HN SER 124 - HN SER 124 (0.79) kept Peak 113 (3.88, 7.75, 125.98 ppm): 20 chemical-shift based assignments, quality = 0.766, support = 0.639, residual support = 0.422: HD3 PRO 35 - HN VAL 125 5.000% * 41.1248% (0.85 0.75 0.55) = 41.125% kept HD3 PRO 35 - HN SER 124 5.000% * 40.8909% (0.81 0.79 0.47) = 40.891% kept HA GLU- 45 - HN VAL 125 5.000% * 3.9109% (0.68 0.09 0.02) = 3.911% kept HA GLU- 45 - HN SER 124 5.000% * 3.7057% (0.65 0.09 0.02) = 3.706% kept HD2 PRO 116 - HN VAL 125 5.000% * 1.0832% (0.84 0.02 0.02) = 1.083% kept HD2 PRO 86 - HN VAL 125 5.000% * 1.0547% (0.82 0.02 0.02) = 1.055% kept HD2 PRO 116 - HN SER 124 5.000% * 1.0303% (0.80 0.02 0.02) = 1.030% kept HD2 PRO 86 - HN SER 124 5.000% * 1.0032% (0.78 0.02 0.02) = 1.003% kept HB3 SER 27 - HN VAL 125 5.000% * 0.8352% (0.65 0.02 0.02) = 0.835% HB3 SER 27 - HN SER 124 5.000% * 0.7944% (0.62 0.02 0.02) = 0.794% HA2 GLY 114 - HN VAL 125 5.000% * 0.5750% (0.45 0.02 0.02) = 0.575% HB3 SER 77 - HN VAL 125 5.000% * 0.5750% (0.45 0.02 0.02) = 0.575% HB3 SER 77 - HN SER 124 5.000% * 0.5469% (0.43 0.02 0.02) = 0.547% HA2 GLY 114 - HN SER 124 5.000% * 0.5469% (0.43 0.02 0.02) = 0.547% HB2 SER 85 - HN VAL 125 5.000% * 0.5319% (0.41 0.02 0.02) = 0.532% HB2 SER 85 - HN SER 124 5.000% * 0.5060% (0.39 0.02 0.02) = 0.506% HB3 SER 88 - HN VAL 125 5.000% * 0.4900% (0.38 0.02 0.02) = 0.490% HB3 SER 88 - HN SER 124 5.000% * 0.4661% (0.36 0.02 0.02) = 0.466% HB2 SER 77 - HN VAL 125 5.000% * 0.1686% (0.13 0.02 0.02) = 0.169% HB2 SER 77 - HN SER 124 5.000% * 0.1604% (0.12 0.02 0.02) = 0.160% Peak 114 (8.36, 8.38, 125.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 115 (0.83, 8.38, 125.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 116 (7.75, 7.77, 125.85 ppm): 2 diagonal assignments: HN VAL 125 - HN VAL 125 (0.66) kept HN SER 124 - HN SER 124 (0.64) kept Peak 117 (4.48, 7.77, 125.85 ppm): 18 chemical-shift based assignments, quality = 0.65, support = 0.961, residual support = 0.914: O HA CYS 123 - HN SER 124 5.556% * 95.5816% (0.67 10.0 1.00 0.96) = 95.582% kept HA CYS 123 - HN VAL 125 5.556% * 2.1456% (0.63 1.0 0.24 0.02) = 2.146% kept HA LYS+ 32 - HN SER 124 5.556% * 0.2340% (0.82 1.0 0.02 0.02) = 0.234% HA LYS+ 32 - HN VAL 125 5.556% * 0.2215% (0.77 1.0 0.02 0.02) = 0.221% HA MET 126 - HN SER 124 5.556% * 0.2071% (0.72 1.0 0.02 0.02) = 0.207% HA MET 126 - HN VAL 125 5.556% * 0.1960% (0.68 1.0 0.02 0.02) = 0.196% HA SER 77 - HN SER 124 5.556% * 0.1912% (0.67 1.0 0.02 0.02) = 0.191% HA SER 77 - HN VAL 125 5.556% * 0.1809% (0.63 1.0 0.02 0.02) = 0.181% HA ILE 100 - HN SER 124 5.556% * 0.1640% (0.57 1.0 0.02 0.02) = 0.164% HA GLN 102 - HN SER 124 5.556% * 0.1640% (0.57 1.0 0.02 0.02) = 0.164% HA ILE 100 - HN VAL 125 5.556% * 0.1552% (0.54 1.0 0.02 0.02) = 0.155% HA GLN 102 - HN VAL 125 5.556% * 0.1552% (0.54 1.0 0.02 0.02) = 0.155% HB THR 79 - HN SER 124 5.556% * 0.1070% (0.37 1.0 0.02 0.02) = 0.107% HB THR 79 - HN VAL 125 5.556% * 0.1013% (0.35 1.0 0.02 0.02) = 0.101% HA LYS+ 55 - HN SER 124 5.556% * 0.0532% (0.19 1.0 0.02 0.02) = 0.053% HA LYS+ 55 - HN VAL 125 5.556% * 0.0503% (0.18 1.0 0.02 0.02) = 0.050% HA GLU- 50 - HN SER 124 5.556% * 0.0472% (0.16 1.0 0.02 0.02) = 0.047% HA GLU- 50 - HN VAL 125 5.556% * 0.0447% (0.16 1.0 0.02 0.02) = 0.045% Peak 118 (0.84, 8.30, 125.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 119 (1.57, 8.30, 125.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 120 (4.10, 8.35, 125.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 121 (8.33, 8.35, 125.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 122 (1.69, 8.35, 125.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 123 (8.59, 8.60, 125.48 ppm): 1 diagonal assignment: * HN LYS+ 20 - HN LYS+ 20 (0.90) kept Peak 124 (4.88, 8.60, 125.48 ppm): 3 chemical-shift based assignments, quality = 0.903, support = 5.17, residual support = 44.1: * O HA ILE 19 - HN LYS+ 20 33.333% * 97.1070% (0.92 10.0 5.27 45.32) = 97.107% kept HA THR 96 - HN LYS+ 20 33.333% * 2.8377% (0.28 1.0 1.94 1.78) = 2.838% kept HA ASP- 115 - HN LYS+ 20 33.333% * 0.0553% (0.53 1.0 0.02 0.02) = 0.055% Peak 125 (0.01, 8.60, 125.48 ppm): 1 chemical-shift based assignment, quality = 0.525, support = 6.44, residual support = 45.3: * QG2 ILE 19 - HN LYS+ 20 100.000% *100.0000% (0.53 6.44 45.32) = 100.000% kept Peak 126 (0.67, 8.60, 125.48 ppm): 8 chemical-shift based assignments, quality = 0.621, support = 4.88, residual support = 34.3: * HG12 ILE 19 - HN LYS+ 20 12.500% * 38.6792% (0.65 5.55 45.32) = 38.679% kept QD1 ILE 19 - HN LYS+ 20 12.500% * 35.2867% (0.53 6.22 45.32) = 35.287% kept QG2 VAL 94 - HN LYS+ 20 12.500% * 17.6350% (0.61 2.70 4.01) = 17.635% kept QG1 VAL 62 - HN LYS+ 20 12.500% * 7.9175% (1.00 0.74 0.66) = 7.918% kept QG2 ILE 48 - HN LYS+ 20 12.500% * 0.2098% (0.97 0.02 0.02) = 0.210% QG2 ILE 68 - HN LYS+ 20 12.500% * 0.1307% (0.61 0.02 0.02) = 0.131% QG2 ILE 101 - HN LYS+ 20 12.500% * 0.1079% (0.50 0.02 0.02) = 0.108% QG1 VAL 65 - HN LYS+ 20 12.500% * 0.0333% (0.15 0.02 0.02) = 0.033% Peak 127 (1.35, 8.60, 125.48 ppm): 7 chemical-shift based assignments, quality = 0.738, support = 3.95, residual support = 30.0: * O HB3 LYS+ 20 - HN LYS+ 20 14.286% * 86.7019% (0.73 10.0 4.23 34.46) = 86.702% kept HB3 LEU 17 - HN LYS+ 20 14.286% * 11.9282% (0.90 1.0 2.23 1.09) = 11.928% kept HB2 ARG+ 22 - HN LYS+ 20 14.286% * 1.1013% (0.17 1.0 1.05 0.12) = 1.101% kept HG3 LYS+ 81 - HN LYS+ 20 14.286% * 0.1152% (0.96 1.0 0.02 0.02) = 0.115% QB ALA 11 - HN LYS+ 20 14.286% * 0.0820% (0.69 1.0 0.02 0.02) = 0.082% HG2 LYS+ 78 - HN LYS+ 20 14.286% * 0.0448% (0.37 1.0 0.02 0.02) = 0.045% QG2 THR 39 - HN LYS+ 20 14.286% * 0.0266% (0.22 1.0 0.02 0.50) = 0.027% Peak 128 (4.83, 8.60, 125.48 ppm): 4 chemical-shift based assignments, quality = 0.653, support = 2.22, residual support = 1.26: HA GLU- 18 - HN LYS+ 20 25.000% * 65.8027% (0.73 2.70 1.35) = 65.803% kept HB THR 39 - HN LYS+ 20 25.000% * 17.7698% (0.76 0.69 0.50) = 17.770% kept * HA THR 96 - HN LYS+ 20 25.000% * 16.2206% (0.25 1.94 1.78) = 16.221% kept HA LEU 23 - HN LYS+ 20 25.000% * 0.2069% (0.31 0.02 0.25) = 0.207% Peak 129 (1.02, 8.60, 125.48 ppm): 2 chemical-shift based assignments, quality = 0.591, support = 3.18, residual support = 25.2: * HG3 LYS+ 20 - HN LYS+ 20 50.000% * 72.3492% (0.53 4.00 34.46) = 72.349% kept QG1 VAL 99 - HN LYS+ 20 50.000% * 27.6508% (0.76 1.05 1.05) = 27.651% kept Peak 130 (4.65, 8.60, 125.48 ppm): 4 chemical-shift based assignments, quality = 0.564, support = 0.0584, residual support = 0.02: HA PRO 35 - HN LYS+ 20 25.000% * 62.3332% (0.53 0.08 0.02) = 62.333% kept HA LYS+ 120 - HN LYS+ 20 25.000% * 24.2348% (0.83 0.02 0.02) = 24.235% kept HA TYR 83 - HN LYS+ 20 25.000% * 8.9552% (0.31 0.02 0.02) = 8.955% kept HA ASN 89 - HN LYS+ 20 25.000% * 4.4768% (0.15 0.02 0.02) = 4.477% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 131 (7.94, 7.94, 125.23 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 132 (4.52, 7.94, 125.23 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 133 (5.25, 8.94, 125.29 ppm): 1 chemical-shift based assignment, quality = 0.411, support = 2.74, residual support = 10.5: * O HA PHE 21 - HN ARG+ 22 100.000% *100.0000% (0.41 10.0 2.74 10.51) = 100.000% kept Peak 135 (0.94, 8.94, 125.29 ppm): 10 chemical-shift based assignments, quality = 0.795, support = 1.71, residual support = 7.58: QG2 ILE 29 - HN ARG+ 22 10.000% * 29.6650% (0.73 2.46 20.80) = 29.665% kept QG2 VAL 105 - HN ARG+ 22 10.000% * 22.1763% (0.98 1.36 0.42) = 22.176% kept QG1 VAL 105 - HN ARG+ 22 10.000% * 21.8584% (1.00 1.32 0.42) = 21.858% kept * QG2 VAL 99 - HN ARG+ 22 10.000% * 12.8361% (0.34 2.27 9.56) = 12.836% kept QG2 VAL 62 - HN ARG+ 22 10.000% * 11.6189% (0.87 0.81 0.02) = 11.619% kept QG2 VAL 80 - HN ARG+ 22 10.000% * 0.7560% (0.61 0.08 0.02) = 0.756% QD1 LEU 17 - HN ARG+ 22 10.000% * 0.3289% (0.99 0.02 0.02) = 0.329% HG12 ILE 68 - HN ARG+ 22 10.000% * 0.2657% (0.80 0.02 0.02) = 0.266% QG2 VAL 73 - HN ARG+ 22 10.000% * 0.2536% (0.76 0.02 0.02) = 0.254% HG3 LYS+ 110 - HN ARG+ 22 10.000% * 0.2410% (0.73 0.02 0.02) = 0.241% Peak 136 (0.72, 8.94, 125.29 ppm): 10 chemical-shift based assignments, quality = 0.698, support = 1.1, residual support = 1.77: QG2 ILE 101 - HN ARG+ 22 10.000% * 42.3690% (0.67 1.72 3.69) = 42.369% kept QG2 ILE 48 - HN ARG+ 22 10.000% * 27.5501% (0.73 1.02 0.71) = 27.550% kept QD1 ILE 68 - HN ARG+ 22 10.000% * 10.9911% (0.92 0.32 0.02) = 10.991% kept QG2 VAL 65 - HN ARG+ 22 10.000% * 8.0476% (0.87 0.25 0.02) = 8.048% kept QG2 THR 96 - HN ARG+ 22 10.000% * 7.2294% (0.45 0.44 0.02) = 7.229% kept HG3 LYS+ 66 - HN ARG+ 22 10.000% * 1.7794% (0.61 0.08 0.02) = 1.779% kept QG1 VAL 40 - HN ARG+ 22 10.000% * 0.6985% (0.95 0.02 0.02) = 0.698% HG LEU 74 - HN ARG+ 22 10.000% * 0.6816% (0.92 0.02 0.02) = 0.682% HG3 LYS+ 44 - HN ARG+ 22 10.000% * 0.4479% (0.61 0.02 0.02) = 0.448% QG1 VAL 65 - HN ARG+ 22 10.000% * 0.2053% (0.28 0.02 0.02) = 0.205% Peak 137 (5.18, 8.94, 125.29 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 5.18, residual support = 95.9: * O HA ARG+ 22 - HN ARG+ 22 100.000% *100.0000% (0.73 10.0 5.18 95.87) = 100.000% kept Peak 138 (8.29, 8.94, 125.29 ppm): 4 chemical-shift based assignments, quality = 0.438, support = 3.43, residual support = 7.59: * T HN VAL 99 - HN ARG+ 22 25.000% * 69.8658% (0.22 10.00 4.43 9.56) = 69.866% kept HN ASP- 28 - HN ARG+ 22 25.000% * 21.6784% (1.00 1.00 1.38 4.21) = 21.678% kept HN ASN 89 - HN ARG+ 22 25.000% * 5.6144% (0.80 1.00 0.45 0.02) = 5.614% kept HN ALA 91 - HN ARG+ 22 25.000% * 2.8414% (0.73 1.00 0.25 0.02) = 2.841% kept Peak 140 (1.31, 8.94, 125.29 ppm): 4 chemical-shift based assignments, quality = 0.737, support = 4.88, residual support = 92.6: * O HB2 ARG+ 22 - HN ARG+ 22 25.000% * 96.5667% (0.73 10.0 5.04 95.87) = 96.567% kept QG2 THR 46 - HN ARG+ 22 25.000% * 3.3042% (0.95 1.0 0.53 0.02) = 3.304% kept QB ALA 103 - HN ARG+ 22 25.000% * 0.0817% (0.62 1.0 0.02 0.02) = 0.082% HB2 LYS+ 55 - HN ARG+ 22 25.000% * 0.0474% (0.36 1.0 0.02 0.02) = 0.047% Peak 141 (1.13, 8.19, 125.39 ppm): 5 chemical-shift based assignments, quality = 0.764, support = 3.72, residual support = 12.0: * O QB ALA 33 - HN ALA 33 20.000% * 71.3571% (0.69 10.0 3.16 10.21) = 71.357% kept HG3 LYS+ 32 - HN ALA 33 20.000% * 27.5398% (1.00 1.0 5.31 17.04) = 27.540% kept QG2 THR 61 - HN ALA 33 20.000% * 0.9846% (0.61 1.0 0.31 0.02) = 0.985% HD3 LYS+ 111 - HN ALA 33 20.000% * 0.1003% (0.96 1.0 0.02 0.02) = 0.100% HG3 PRO 59 - HN ALA 33 20.000% * 0.0182% (0.17 1.0 0.02 0.02) = 0.018% Peak 142 (4.47, 8.19, 125.39 ppm): 8 chemical-shift based assignments, quality = 0.792, support = 3.8, residual support = 16.9: * O HA LYS+ 32 - HN ALA 33 12.500% * 99.0228% (0.80 10.0 3.84 17.04) = 99.023% kept HA GLN 102 - HN ALA 33 12.500% * 0.5248% (1.00 1.0 0.08 1.77) = 0.525% HA ILE 100 - HN ALA 33 12.500% * 0.1237% (1.00 1.0 0.02 0.02) = 0.124% HA MET 126 - HN ALA 33 12.500% * 0.1170% (0.94 1.0 0.02 0.02) = 0.117% HA GLU- 50 - HN ALA 33 12.500% * 0.0800% (0.65 1.0 0.02 0.02) = 0.080% HA MET 118 - HN ALA 33 12.500% * 0.0554% (0.45 1.0 0.02 0.02) = 0.055% HA SER 77 - HN ALA 33 12.500% * 0.0382% (0.31 1.0 0.02 0.02) = 0.038% HA CYS 123 - HN ALA 33 12.500% * 0.0382% (0.31 1.0 0.02 0.02) = 0.038% Peak 143 (1.58, 8.19, 125.39 ppm): 12 chemical-shift based assignments, quality = 0.663, support = 3.26, residual support = 14.0: * HB3 LYS+ 32 - HN ALA 33 8.333% * 62.8589% (0.73 4.12 17.04) = 62.859% kept HD3 LYS+ 32 - HN ALA 33 8.333% * 17.6849% (0.25 3.38 17.04) = 17.685% kept HB ILE 19 - HN ALA 33 8.333% * 10.0351% (0.92 0.52 2.73) = 10.035% kept HD3 LYS+ 81 - HN ALA 33 8.333% * 3.8680% (0.76 0.24 0.02) = 3.868% kept HG LEU 17 - HN ALA 33 8.333% * 3.2403% (0.90 0.17 0.69) = 3.240% kept HD3 LYS+ 60 - HN ALA 33 8.333% * 1.4435% (0.83 0.08 0.02) = 1.444% kept QB ALA 42 - HN ALA 33 8.333% * 0.2044% (0.49 0.02 0.02) = 0.204% HG12 ILE 29 - HN ALA 33 8.333% * 0.2044% (0.49 0.02 0.02) = 0.204% HB3 LEU 90 - HN ALA 33 8.333% * 0.1726% (0.41 0.02 0.02) = 0.173% HG13 ILE 29 - HN ALA 33 8.333% * 0.1296% (0.31 0.02 0.02) = 0.130% QG2 THR 24 - HN ALA 33 8.333% * 0.0935% (0.22 0.02 0.02) = 0.093% HB3 PRO 52 - HN ALA 33 8.333% * 0.0648% (0.15 0.02 0.02) = 0.065% Peak 144 (8.19, 8.19, 125.39 ppm): 1 diagonal assignment: * HN ALA 33 - HN ALA 33 (0.94) kept Peak 145 (4.92, 8.19, 125.39 ppm): 3 chemical-shift based assignments, quality = 0.522, support = 2.87, residual support = 10.0: O HA ALA 33 - HN ALA 33 33.333% * 98.3620% (0.53 10.0 2.91 10.21) = 98.362% kept HA ILE 101 - HN ALA 33 33.333% * 1.6127% (0.34 1.0 0.51 0.20) = 1.613% kept HA HIS+ 98 - HN ALA 33 33.333% * 0.0253% (0.14 1.0 0.02 0.02) = 0.025% Peak 146 (1.28, 8.19, 125.39 ppm): 6 chemical-shift based assignments, quality = 0.667, support = 3.35, residual support = 14.9: * HG2 LYS+ 32 - HN ALA 33 16.667% * 87.5991% (0.65 3.79 17.04) = 87.599% kept HG13 ILE 101 - HN ALA 33 16.667% * 10.1675% (0.99 0.29 0.20) = 10.168% kept HG2 LYS+ 81 - HN ALA 33 16.667% * 0.6892% (0.96 0.02 0.02) = 0.689% HB3 LEU 74 - HN ALA 33 16.667% * 0.5965% (0.83 0.02 0.02) = 0.597% HB2 LYS+ 55 - HN ALA 33 16.667% * 0.5719% (0.80 0.02 0.02) = 0.572% QB ALA 103 - HN ALA 33 16.667% * 0.3757% (0.53 0.02 0.11) = 0.376% Peak 147 (8.78, 8.19, 125.39 ppm): 4 chemical-shift based assignments, quality = 0.496, support = 3.05, residual support = 7.5: * HN PHE 34 - HN ALA 33 25.000% * 97.1636% (0.49 3.14 7.72) = 97.164% kept HN THR 95 - HN ALA 33 25.000% * 1.2693% (1.00 0.02 0.02) = 1.269% kept HN SER 69 - HN ALA 33 25.000% * 1.1744% (0.92 0.02 0.02) = 1.174% kept HN VAL 62 - HN ALA 33 25.000% * 0.3927% (0.31 0.02 0.02) = 0.393% Peak 153 (4.27, 8.29, 124.59 ppm): 19 chemical-shift based assignments, quality = 0.805, support = 2.96, residual support = 14.4: * O HA LEU 90 - HN ALA 91 5.263% * 95.0564% (0.82 10.0 3.09 15.11) = 95.056% kept HA PRO 52 - HN ALA 91 5.263% * 2.5119% (0.91 1.0 0.48 0.50) = 2.512% kept HA ALA 11 - HN ALA 91 5.263% * 1.0328% (0.28 1.0 0.63 0.32) = 1.033% kept HB3 SER 49 - HN ALA 91 5.263% * 0.3474% (0.16 1.0 0.37 0.02) = 0.347% HA VAL 94 - HN ALA 91 5.263% * 0.1060% (0.91 1.0 0.02 0.02) = 0.106% HA ARG+ 84 - HN ALA 91 5.263% * 0.1058% (0.91 1.0 0.02 0.02) = 0.106% HA SER 85 - HN ALA 91 5.263% * 0.1058% (0.91 1.0 0.02 0.02) = 0.106% HA VAL 122 - HN ALA 91 5.263% * 0.1003% (0.86 1.0 0.02 0.02) = 0.100% HA GLU- 56 - HN ALA 91 5.263% * 0.0951% (0.82 1.0 0.02 0.02) = 0.095% HA GLU- 64 - HN ALA 91 5.263% * 0.0810% (0.70 1.0 0.02 0.02) = 0.081% HB3 CYS 121 - HN ALA 91 5.263% * 0.0770% (0.66 1.0 0.02 0.02) = 0.077% HA GLU- 75 - HN ALA 91 5.263% * 0.0770% (0.66 1.0 0.02 0.12) = 0.077% HA THR 106 - HN ALA 91 5.263% * 0.0643% (0.55 1.0 0.02 0.02) = 0.064% HA CYS 121 - HN ALA 91 5.263% * 0.0600% (0.52 1.0 0.02 0.02) = 0.060% HA ASN 119 - HN ALA 91 5.263% * 0.0436% (0.38 1.0 0.02 0.02) = 0.044% HA GLU- 107 - HN ALA 91 5.263% * 0.0436% (0.38 1.0 0.02 0.02) = 0.044% HA ASN 76 - HN ALA 91 5.263% * 0.0398% (0.34 1.0 0.02 0.02) = 0.040% HA ASP- 36 - HN ALA 91 5.263% * 0.0362% (0.31 1.0 0.02 0.02) = 0.036% HA PRO 59 - HN ALA 91 5.263% * 0.0164% (0.14 1.0 0.02 0.02) = 0.016% Peak 154 (1.35, 8.29, 124.59 ppm): 6 chemical-shift based assignments, quality = 0.53, support = 1.35, residual support = 0.397: HB3 LEU 17 - HN ALA 91 16.667% * 36.3227% (0.59 1.62 0.47) = 36.323% kept QB ALA 11 - HN ALA 91 16.667% * 24.9097% (0.38 1.74 0.32) = 24.910% kept HG3 LYS+ 81 - HN ALA 91 16.667% * 23.4803% (0.70 0.88 0.52) = 23.480% kept HB3 LYS+ 20 - HN ALA 91 16.667% * 13.4415% (0.41 0.86 0.18) = 13.442% kept HG2 LYS+ 78 - HN ALA 91 16.667% * 1.5849% (0.16 0.26 0.11) = 1.585% kept HB2 ARG+ 22 - HN ALA 91 16.667% * 0.2609% (0.34 0.02 0.02) = 0.261% Reference assignment not found: QB ALA 91 - HN ALA 91 Peak 155 (1.55, 8.29, 124.59 ppm): 9 chemical-shift based assignments, quality = 0.768, support = 1.84, residual support = 7.75: * HB3 LEU 90 - HN ALA 91 11.111% * 50.7709% (0.84 2.98 15.11) = 50.771% kept QB ALA 42 - HN ALA 91 11.111% * 11.8707% (0.79 0.74 0.02) = 11.871% kept HG13 ILE 29 - HN ALA 91 11.111% * 10.8918% (0.90 0.60 0.11) = 10.892% kept HG12 ILE 29 - HN ALA 91 11.111% * 9.8395% (0.79 0.62 0.11) = 9.839% kept HG LEU 17 - HN ALA 91 11.111% * 6.9537% (0.41 0.84 0.47) = 6.954% kept HB ILE 19 - HN ALA 91 11.111% * 5.0747% (0.38 0.67 0.02) = 5.075% kept HD3 LYS+ 81 - HN ALA 91 11.111% * 4.0360% (0.55 0.36 0.52) = 4.036% kept QG2 THR 24 - HN ALA 91 11.111% * 0.3687% (0.91 0.02 0.02) = 0.369% HD3 LYS+ 60 - HN ALA 91 11.111% * 0.1940% (0.48 0.02 0.02) = 0.194% Peak 156 (0.84, 8.29, 124.59 ppm): 9 chemical-shift based assignments, quality = 0.352, support = 1.88, residual support = 9.92: * QD1 LEU 90 - HN ALA 91 11.111% * 38.9051% (0.31 2.45 15.11) = 38.905% kept QD2 LEU 90 - HN ALA 91 11.111% * 26.3234% (0.18 2.85 15.11) = 26.323% kept QD1 ILE 29 - HN ALA 91 11.111% * 19.4010% (0.70 0.54 0.11) = 19.401% kept QD2 LEU 17 - HN ALA 91 11.111% * 9.3855% (0.25 0.72 0.47) = 9.385% kept QG1 VAL 13 - HN ALA 91 11.111% * 3.4367% (0.70 0.10 0.02) = 3.437% kept QG2 VAL 13 - HN ALA 91 11.111% * 0.9243% (0.91 0.02 0.02) = 0.924% HG2 LYS+ 117 - HN ALA 91 11.111% * 0.8822% (0.86 0.02 0.02) = 0.882% QG1 VAL 94 - HN ALA 91 11.111% * 0.4539% (0.44 0.02 0.02) = 0.454% QG2 ILE 100 - HN ALA 91 11.111% * 0.2878% (0.28 0.02 0.02) = 0.288% Peak 157 (8.24, 8.24, 124.61 ppm): 1 diagonal assignment: * HN ALA 11 - HN ALA 11 (0.06) kept Peak 158 (2.06, 8.24, 124.61 ppm): 12 chemical-shift based assignments, quality = 0.236, support = 0.517, residual support = 0.347: HB2 GLU- 45 - HN ALA 11 8.333% * 35.5648% (0.28 0.64 0.88) = 35.565% kept HG2 PRO 112 - HN ALA 11 8.333% * 27.5831% (0.22 0.63 0.02) = 27.583% kept HG3 PRO 86 - HN ALA 11 8.333% * 21.7990% (0.25 0.44 0.11) = 21.799% kept HB3 GLU- 75 - HN ALA 11 8.333% * 8.5184% (0.24 0.17 0.02) = 8.518% kept HG2 GLN 16 - HN ALA 11 8.333% * 3.2840% (0.09 0.19 0.02) = 3.284% kept HB VAL 62 - HN ALA 11 8.333% * 0.9011% (0.22 0.02 0.02) = 0.901% HB ILE 101 - HN ALA 11 8.333% * 0.7526% (0.19 0.02 0.02) = 0.753% HB3 LYS+ 120 - HN ALA 11 8.333% * 0.5102% (0.13 0.02 0.02) = 0.510% HB3 LYS+ 110 - HN ALA 11 8.333% * 0.5102% (0.13 0.02 0.02) = 0.510% HG3 GLU- 64 - HN ALA 11 8.333% * 0.2173% (0.05 0.02 0.02) = 0.217% HB3 GLU- 54 - HN ALA 11 8.333% * 0.1915% (0.05 0.02 0.02) = 0.191% HD3 LYS+ 110 - HN ALA 11 8.333% * 0.1679% (0.04 0.02 0.02) = 0.168% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 161 (4.81, 8.96, 124.78 ppm): 12 chemical-shift based assignments, quality = 0.714, support = 5.52, residual support = 25.4: * O HA GLU- 18 - HN ILE 19 8.333% * 89.9938% (0.76 10.0 5.84 25.23) = 89.994% kept HA GLU- 18 - HN LEU 17 8.333% * 8.1196% (0.42 1.0 3.23 33.07) = 8.120% kept HB THR 39 - HN ILE 19 8.333% * 0.8037% (0.74 1.0 0.18 0.14) = 0.804% HA LEU 23 - HN ILE 19 8.333% * 0.7176% (0.70 1.0 0.17 0.02) = 0.718% HA GLU- 18 - HN THR 96 8.333% * 0.0819% (0.69 1.0 0.02 0.02) = 0.082% HB THR 39 - HN THR 96 8.333% * 0.0802% (0.67 1.0 0.02 0.02) = 0.080% HA LEU 23 - HN THR 96 8.333% * 0.0761% (0.64 1.0 0.02 0.02) = 0.076% HB THR 39 - HN LEU 17 8.333% * 0.0493% (0.41 1.0 0.02 0.02) = 0.049% HA LEU 23 - HN LEU 17 8.333% * 0.0467% (0.39 1.0 0.02 0.13) = 0.047% HA ASN 15 - HN ILE 19 8.333% * 0.0126% (0.11 1.0 0.02 0.02) = 0.013% HA ASN 15 - HN THR 96 8.333% * 0.0115% (0.10 1.0 0.02 0.02) = 0.011% HA ASN 15 - HN LEU 17 8.333% * 0.0071% (0.06 1.0 0.02 0.02) = 0.007% Peak 162 (1.57, 8.96, 124.78 ppm): 30 chemical-shift based assignments, quality = 0.684, support = 4.88, residual support = 71.2: * O HB ILE 19 - HN ILE 19 3.333% * 62.7115% (0.75 10.0 6.19 96.68) = 62.712% kept HG LEU 17 - HN LEU 17 3.333% * 9.5796% (0.44 1.0 5.23 88.51) = 9.580% kept HG LEU 17 - HN ILE 19 3.333% * 8.6006% (0.75 1.0 2.72 13.76) = 8.601% kept HB ILE 19 - HN THR 96 3.333% * 5.3823% (0.73 1.0 1.76 5.73) = 5.382% kept HB ILE 19 - HN LEU 17 3.333% * 4.4464% (0.43 1.0 2.44 13.76) = 4.446% kept HD3 LYS+ 60 - HN ILE 19 3.333% * 2.6380% (0.75 1.0 0.84 0.42) = 2.638% kept QB ALA 42 - HN THR 96 3.333% * 2.1296% (0.59 1.0 0.86 0.02) = 2.130% kept HD3 LYS+ 60 - HN THR 96 3.333% * 1.7874% (0.73 1.0 0.58 0.02) = 1.787% kept HB3 LYS+ 32 - HN ILE 19 3.333% * 1.3728% (0.31 1.0 1.06 0.49) = 1.373% kept HB3 LYS+ 32 - HN LEU 17 3.333% * 0.5660% (0.18 1.0 0.75 0.59) = 0.566% HD3 LYS+ 81 - HN ILE 19 3.333% * 0.0620% (0.74 1.0 0.02 0.02) = 0.062% HG LEU 17 - HN THR 96 3.333% * 0.0616% (0.73 1.0 0.02 0.22) = 0.062% HD3 LYS+ 81 - HN THR 96 3.333% * 0.0605% (0.72 1.0 0.02 0.02) = 0.061% HG12 ILE 29 - HN ILE 19 3.333% * 0.0507% (0.60 1.0 0.02 0.02) = 0.051% QB ALA 42 - HN ILE 19 3.333% * 0.0507% (0.60 1.0 0.02 0.02) = 0.051% HG12 ILE 29 - HN THR 96 3.333% * 0.0494% (0.59 1.0 0.02 0.02) = 0.049% HB3 LEU 90 - HN ILE 19 3.333% * 0.0459% (0.55 1.0 0.02 0.29) = 0.046% HB3 LEU 90 - HN THR 96 3.333% * 0.0448% (0.53 1.0 0.02 0.02) = 0.045% HG13 ILE 29 - HN ILE 19 3.333% * 0.0384% (0.46 1.0 0.02 0.02) = 0.038% HG13 ILE 29 - HN THR 96 3.333% * 0.0374% (0.45 1.0 0.02 0.02) = 0.037% HD3 LYS+ 60 - HN LEU 17 3.333% * 0.0366% (0.44 1.0 0.02 0.02) = 0.037% HD3 LYS+ 81 - HN LEU 17 3.333% * 0.0360% (0.43 1.0 0.02 0.02) = 0.036% QG2 THR 24 - HN ILE 19 3.333% * 0.0308% (0.37 1.0 0.02 0.02) = 0.031% QG2 THR 24 - HN THR 96 3.333% * 0.0300% (0.36 1.0 0.02 0.02) = 0.030% HG12 ILE 29 - HN LEU 17 3.333% * 0.0294% (0.35 1.0 0.02 17.13) = 0.029% QB ALA 42 - HN LEU 17 3.333% * 0.0294% (0.35 1.0 0.02 0.02) = 0.029% HB3 LEU 90 - HN LEU 17 3.333% * 0.0267% (0.32 1.0 0.02 0.17) = 0.027% HB3 LYS+ 32 - HN THR 96 3.333% * 0.0254% (0.30 1.0 0.02 0.02) = 0.025% HG13 ILE 29 - HN LEU 17 3.333% * 0.0223% (0.27 1.0 0.02 17.13) = 0.022% QG2 THR 24 - HN LEU 17 3.333% * 0.0179% (0.21 1.0 0.02 0.02) = 0.018% Peak 163 (4.88, 8.96, 124.78 ppm): 9 chemical-shift based assignments, quality = 0.588, support = 4.82, residual support = 68.1: * O HA ILE 19 - HN ILE 19 11.111% * 65.1606% (0.70 10.0 5.40 96.68) = 65.161% kept O HA THR 96 - HN THR 96 11.111% * 19.1489% (0.20 10.0 4.31 20.98) = 19.149% kept HA ILE 19 - HN THR 96 11.111% * 11.5004% (0.68 1.0 3.62 5.73) = 11.500% kept HA ILE 19 - HN LEU 17 11.111% * 3.0713% (0.40 1.0 1.62 13.76) = 3.071% kept HA ASP- 115 - HN THR 96 11.111% * 1.0291% (0.39 1.0 0.57 0.02) = 1.029% kept HA ASP- 115 - HN ILE 19 11.111% * 0.0371% (0.40 1.0 0.02 0.02) = 0.037% HA ASP- 115 - HN LEU 17 11.111% * 0.0215% (0.23 1.0 0.02 0.02) = 0.022% HA THR 96 - HN ILE 19 11.111% * 0.0196% (0.21 1.0 0.02 5.73) = 0.020% HA THR 96 - HN LEU 17 11.111% * 0.0114% (0.12 1.0 0.02 0.22) = 0.011% Peak 164 (8.96, 8.96, 124.78 ppm): 3 diagonal assignments: HN THR 96 - HN THR 96 (0.51) kept * HN ILE 19 - HN ILE 19 (0.46) kept HN LEU 17 - HN LEU 17 (0.44) kept Peak 166 (1.13, 8.96, 124.78 ppm): 15 chemical-shift based assignments, quality = 0.512, support = 1.42, residual support = 0.803: QG2 THR 61 - HN ILE 19 6.667% * 23.6121% (0.70 1.45 0.47) = 23.612% kept * QB ALA 33 - HN ILE 19 6.667% * 17.7220% (0.29 2.60 2.73) = 17.722% kept HG3 LYS+ 32 - HN ILE 19 6.667% * 16.4542% (0.70 1.01 0.49) = 16.454% kept QB ALA 33 - HN LEU 17 6.667% * 10.5620% (0.16 2.77 0.69) = 10.562% kept HG3 LYS+ 32 - HN LEU 17 6.667% * 8.7899% (0.39 0.96 0.59) = 8.790% kept QG2 THR 61 - HN THR 96 6.667% * 7.0748% (0.64 0.48 0.02) = 7.075% kept HD3 LYS+ 111 - HN ILE 19 6.667% * 6.5342% (0.76 0.37 0.02) = 6.534% kept QG2 THR 79 - HN ILE 19 6.667% * 2.2705% (0.22 0.45 0.02) = 2.270% kept HD3 LYS+ 111 - HN LEU 17 6.667% * 2.2312% (0.42 0.23 0.02) = 2.231% kept QG2 THR 61 - HN LEU 17 6.667% * 2.1840% (0.39 0.24 0.02) = 2.184% kept HG3 LYS+ 32 - HN THR 96 6.667% * 1.4784% (0.64 0.10 0.02) = 1.478% kept QB ALA 33 - HN THR 96 6.667% * 0.6187% (0.27 0.10 0.02) = 0.619% HD3 LYS+ 111 - HN THR 96 6.667% * 0.3194% (0.69 0.02 0.02) = 0.319% QG2 THR 79 - HN THR 96 6.667% * 0.0920% (0.20 0.02 0.02) = 0.092% QG2 THR 79 - HN LEU 17 6.667% * 0.0565% (0.12 0.02 0.02) = 0.057% Peak 167 (0.67, 8.96, 124.78 ppm): 21 chemical-shift based assignments, quality = 0.328, support = 4.21, residual support = 44.5: HG12 ILE 19 - HN ILE 19 4.762% * 23.9824% (0.37 6.58 96.68) = 23.982% kept * QD1 ILE 19 - HN ILE 19 4.762% * 18.7841% (0.28 6.69 96.68) = 18.784% kept HG12 ILE 19 - HN THR 96 4.762% * 10.8433% (0.36 3.05 5.73) = 10.843% kept QD1 ILE 19 - HN THR 96 4.762% * 9.2956% (0.28 3.39 5.73) = 9.296% kept HG12 ILE 19 - HN LEU 17 4.762% * 7.0204% (0.21 3.32 13.76) = 7.020% kept QG2 VAL 94 - HN ILE 19 4.762% * 6.4064% (0.34 1.91 0.38) = 6.406% kept QG2 VAL 94 - HN THR 96 4.762% * 5.4099% (0.33 1.65 0.56) = 5.410% kept QD1 ILE 19 - HN LEU 17 4.762% * 5.2548% (0.16 3.22 13.76) = 5.255% kept QG1 VAL 62 - HN ILE 19 4.762% * 4.1685% (0.71 0.59 0.12) = 4.169% kept QG2 VAL 94 - HN LEU 17 4.762% * 4.1035% (0.20 2.11 7.19) = 4.103% kept QG2 ILE 48 - HN THR 96 4.762% * 1.8466% (0.70 0.27 0.02) = 1.847% kept QG2 ILE 48 - HN ILE 19 4.762% * 1.1071% (0.72 0.16 0.02) = 1.107% kept QG2 ILE 101 - HN THR 96 4.762% * 0.6929% (0.30 0.23 0.02) = 0.693% QG1 VAL 62 - HN THR 96 4.762% * 0.6505% (0.70 0.09 0.02) = 0.651% QG2 ILE 48 - HN LEU 17 4.762% * 0.0828% (0.42 0.02 0.02) = 0.083% QG1 VAL 62 - HN LEU 17 4.762% * 0.0822% (0.41 0.02 0.02) = 0.082% QG2 ILE 68 - HN ILE 19 4.762% * 0.0671% (0.34 0.02 0.02) = 0.067% QG2 ILE 68 - HN THR 96 4.762% * 0.0655% (0.33 0.02 0.02) = 0.065% QG2 ILE 101 - HN ILE 19 4.762% * 0.0615% (0.31 0.02 0.02) = 0.062% QG2 ILE 68 - HN LEU 17 4.762% * 0.0389% (0.20 0.02 0.02) = 0.039% QG2 ILE 101 - HN LEU 17 4.762% * 0.0357% (0.18 0.02 0.02) = 0.036% Peak 168 (2.02, 8.96, 124.78 ppm): 45 chemical-shift based assignments, quality = 0.584, support = 2.83, residual support = 17.9: * HB2 GLU- 18 - HN ILE 19 2.222% * 50.3335% (0.70 4.49 25.23) = 50.333% kept HB2 GLU- 18 - HN LEU 17 2.222% * 15.5692% (0.40 2.40 33.07) = 15.569% kept HB3 PRO 31 - HN ILE 19 2.222% * 9.7584% (0.70 0.87 0.02) = 9.758% kept HG2 PRO 112 - HN ILE 19 2.222% * 6.4718% (0.44 0.91 1.03) = 6.472% kept HB2 GLU- 18 - HN THR 96 2.222% * 5.1592% (0.68 0.47 0.02) = 5.159% kept HB3 PRO 31 - HN LEU 17 2.222% * 3.6338% (0.40 0.56 0.11) = 3.634% kept HB3 PRO 31 - HN THR 96 2.222% * 3.4413% (0.68 0.31 0.02) = 3.441% kept HG2 PRO 116 - HN ILE 19 2.222% * 0.2426% (0.75 0.02 0.02) = 0.243% HB3 GLU- 107 - HN ILE 19 2.222% * 0.2421% (0.75 0.02 0.02) = 0.242% HG2 PRO 116 - HN THR 96 2.222% * 0.2367% (0.74 0.02 0.02) = 0.237% HB3 GLU- 107 - HN THR 96 2.222% * 0.2362% (0.73 0.02 0.02) = 0.236% HG3 PRO 112 - HN ILE 19 2.222% * 0.2176% (0.68 0.02 1.03) = 0.218% HG3 PRO 112 - HN THR 96 2.222% * 0.2123% (0.66 0.02 0.02) = 0.212% HB3 GLU- 64 - HN ILE 19 2.222% * 0.2104% (0.65 0.02 0.02) = 0.210% HB3 GLU- 10 - HN ILE 19 2.222% * 0.2104% (0.65 0.02 0.02) = 0.210% HB3 GLU- 64 - HN THR 96 2.222% * 0.2053% (0.64 0.02 0.02) = 0.205% HB3 GLU- 10 - HN THR 96 2.222% * 0.2053% (0.64 0.02 0.02) = 0.205% HB3 MET 118 - HN ILE 19 2.222% * 0.2026% (0.63 0.02 0.02) = 0.203% HB2 HIS+ 14 - HN ILE 19 2.222% * 0.2026% (0.63 0.02 0.02) = 0.203% HB3 MET 118 - HN THR 96 2.222% * 0.1977% (0.62 0.02 0.02) = 0.198% HB2 HIS+ 14 - HN THR 96 2.222% * 0.1977% (0.62 0.02 0.02) = 0.198% HB3 GLU- 54 - HN ILE 19 2.222% * 0.1854% (0.58 0.02 0.02) = 0.185% HB3 GLU- 54 - HN THR 96 2.222% * 0.1809% (0.56 0.02 0.02) = 0.181% HG3 GLU- 64 - HN ILE 19 2.222% * 0.1762% (0.55 0.02 0.02) = 0.176% HG3 GLU- 64 - HN THR 96 2.222% * 0.1719% (0.53 0.02 0.02) = 0.172% HG2 PRO 116 - HN LEU 17 2.222% * 0.1408% (0.44 0.02 0.02) = 0.141% HB3 GLU- 107 - HN LEU 17 2.222% * 0.1405% (0.44 0.02 0.02) = 0.140% HG2 PRO 112 - HN THR 96 2.222% * 0.1392% (0.43 0.02 0.02) = 0.139% HG3 PRO 112 - HN LEU 17 2.222% * 0.1262% (0.39 0.02 0.02) = 0.126% HB3 GLU- 10 - HN LEU 17 2.222% * 0.1221% (0.38 0.02 0.02) = 0.122% HB3 GLU- 64 - HN LEU 17 2.222% * 0.1221% (0.38 0.02 0.02) = 0.122% HB3 MET 118 - HN LEU 17 2.222% * 0.1176% (0.37 0.02 0.02) = 0.118% HB2 HIS+ 14 - HN LEU 17 2.222% * 0.1176% (0.37 0.02 0.02) = 0.118% HB3 GLU- 54 - HN LEU 17 2.222% * 0.1076% (0.33 0.02 0.02) = 0.108% HG3 GLU- 64 - HN LEU 17 2.222% * 0.1022% (0.32 0.02 0.02) = 0.102% HB3 LYS+ 110 - HN ILE 19 2.222% * 0.0997% (0.31 0.02 0.02) = 0.100% HB3 LYS+ 110 - HN THR 96 2.222% * 0.0973% (0.30 0.02 0.02) = 0.097% HB3 GLU- 75 - HN ILE 19 2.222% * 0.0944% (0.29 0.02 0.02) = 0.094% HB3 GLU- 75 - HN THR 96 2.222% * 0.0921% (0.29 0.02 0.02) = 0.092% HG2 PRO 112 - HN LEU 17 2.222% * 0.0828% (0.26 0.02 0.02) = 0.083% HB3 LYS+ 110 - HN LEU 17 2.222% * 0.0579% (0.18 0.02 0.02) = 0.058% HB3 GLU- 75 - HN LEU 17 2.222% * 0.0548% (0.17 0.02 0.25) = 0.055% HG3 PRO 86 - HN ILE 19 2.222% * 0.0328% (0.10 0.02 0.02) = 0.033% HG3 PRO 86 - HN THR 96 2.222% * 0.0320% (0.10 0.02 0.02) = 0.032% HG3 PRO 86 - HN LEU 17 2.222% * 0.0191% (0.06 0.02 0.02) = 0.019% Peak 169 (7.20, 7.21, 124.79 ppm): 1 diagonal assignment: * HN TRP 51 - HN TRP 51 (0.92) kept Peak 170 (3.69, 7.21, 124.79 ppm): 3 chemical-shift based assignments, quality = 0.683, support = 4.25, residual support = 43.4: * O HB2 TRP 51 - HN TRP 51 33.333% * 99.8622% (0.68 10.0 4.26 43.48) = 99.862% kept HA LYS+ 81 - HN TRP 51 33.333% * 0.0882% (0.60 1.0 0.02 0.02) = 0.088% HB3 SER 69 - HN TRP 51 33.333% * 0.0496% (0.34 1.0 0.02 0.02) = 0.050% Peak 171 (3.02, 7.21, 124.79 ppm): 1 chemical-shift based assignment, quality = 0.986, support = 0.141, residual support = 0.141: HB3 HIS+ 14 - HN TRP 51 100.000% *100.0000% (0.99 0.14 0.14) = 100.000% kept Reference assignment not found: HB3 TRP 51 - HN TRP 51 Not enough support, support cutoff is 0.27 Peak unassigned. Peak 172 (8.33, 7.21, 124.79 ppm): 7 chemical-shift based assignments, quality = 0.957, support = 4.67, residual support = 13.4: * T HN GLU- 50 - HN TRP 51 14.286% * 99.6758% (0.96 10.00 4.69 13.47) = 99.676% kept HN GLY 114 - HN TRP 51 14.286% * 0.0896% (0.86 1.00 0.02 0.02) = 0.090% HN ASN 76 - HN TRP 51 14.286% * 0.0789% (0.76 1.00 0.02 0.02) = 0.079% HN GLU- 109 - HN TRP 51 14.286% * 0.0503% (0.48 1.00 0.02 0.02) = 0.050% HN ALA 103 - HN TRP 51 14.286% * 0.0425% (0.41 1.00 0.02 0.02) = 0.042% HN VAL 99 - HN TRP 51 14.286% * 0.0425% (0.41 1.00 0.02 1.80) = 0.042% HN LYS+ 108 - HN TRP 51 14.286% * 0.0204% (0.20 1.00 0.02 0.02) = 0.020% Peak 173 (4.38, 7.21, 124.79 ppm): 14 chemical-shift based assignments, quality = 0.752, support = 4.41, residual support = 43.0: * O HA TRP 51 - HN TRP 51 7.143% * 98.9333% (0.76 10.0 4.45 43.48) = 98.933% kept HA ALA 91 - HN TRP 51 7.143% * 0.1295% (1.00 1.0 0.02 0.02) = 0.129% HA SER 88 - HN TRP 51 7.143% * 0.1269% (0.98 1.0 0.02 0.02) = 0.127% HA SER 27 - HN TRP 51 7.143% * 0.1195% (0.92 1.0 0.02 0.10) = 0.120% HA ALA 37 - HN TRP 51 7.143% * 0.1161% (0.89 1.0 0.02 0.02) = 0.116% HA LYS+ 60 - HN TRP 51 7.143% * 0.1037% (0.80 1.0 0.02 0.02) = 0.104% HA ASN 57 - HN TRP 51 7.143% * 0.0889% (0.68 1.0 0.02 0.02) = 0.089% HA THR 95 - HN TRP 51 7.143% * 0.0837% (0.64 1.0 0.02 0.02) = 0.084% HA PRO 104 - HN TRP 51 7.143% * 0.0681% (0.52 1.0 0.02 0.02) = 0.068% HB THR 61 - HN TRP 51 7.143% * 0.0681% (0.52 1.0 0.02 0.02) = 0.068% HA2 GLY 26 - HN TRP 51 7.143% * 0.0532% (0.41 1.0 0.02 0.02) = 0.053% HA PRO 112 - HN TRP 51 7.143% * 0.0442% (0.34 1.0 0.02 0.43) = 0.044% HA PRO 116 - HN TRP 51 7.143% * 0.0360% (0.28 1.0 0.02 0.02) = 0.036% HA PRO 86 - HN TRP 51 7.143% * 0.0288% (0.22 1.0 0.02 0.02) = 0.029% Peak 174 (2.34, 7.21, 124.79 ppm): 6 chemical-shift based assignments, quality = 0.579, support = 2.2, residual support = 8.38: * HG3 GLU- 50 - HN TRP 51 16.667% * 61.5508% (0.37 3.25 13.47) = 61.551% kept HG3 GLU- 56 - HN TRP 51 16.667% * 31.3745% (0.98 0.63 0.20) = 31.374% kept HG2 PRO 112 - HN TRP 51 16.667% * 5.2031% (0.83 0.12 0.43) = 5.203% kept HB2 TYR 83 - HN TRP 51 16.667% * 0.8088% (0.80 0.02 0.02) = 0.809% HB3 PRO 86 - HN TRP 51 16.667% * 0.5314% (0.52 0.02 0.02) = 0.531% HB2 GLU- 64 - HN TRP 51 16.667% * 0.5314% (0.52 0.02 0.02) = 0.531% Peak 175 (7.47, 7.21, 124.79 ppm): 1 chemical-shift based assignment, quality = 0.373, support = 3.42, residual support = 43.5: * HE3 TRP 51 - HN TRP 51 100.000% *100.0000% (0.37 3.42 43.48) = 100.000% kept Peak 176 (3.40, 7.21, 124.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HA ILE 48 - HN TRP 51 Peak unassigned. Peak 178 (4.94, 9.47, 124.72 ppm): 4 chemical-shift based assignments, quality = 0.753, support = 2.68, residual support = 19.5: * O HA HIS+ 98 - HN HIS+ 98 25.000% * 78.5894% (0.89 10.0 2.89 23.79) = 78.589% kept O HA MET 97 - HN HIS+ 98 25.000% * 19.5095% (0.22 10.0 2.05 3.95) = 19.510% kept HA ILE 101 - HN HIS+ 98 25.000% * 1.3781% (0.99 1.0 0.32 0.11) = 1.378% kept HA ALA 33 - HN HIS+ 98 25.000% * 0.5229% (0.91 1.0 0.13 0.02) = 0.523% Peak 179 (2.91, 9.47, 124.72 ppm): 5 chemical-shift based assignments, quality = 0.915, support = 2.66, residual support = 23.7: * O HB2 HIS+ 98 - HN HIS+ 98 20.000% * 99.6670% (0.92 10.0 2.67 23.79) = 99.667% kept HE3 LYS+ 81 - HN HIS+ 98 20.000% * 0.1080% (1.00 1.0 0.02 0.39) = 0.108% HB3 ASN 57 - HN HIS+ 98 20.000% * 0.1070% (0.99 1.0 0.02 0.02) = 0.107% HB2 CYS 121 - HN HIS+ 98 20.000% * 0.0655% (0.60 1.0 0.02 0.02) = 0.065% HE3 LYS+ 60 - HN HIS+ 98 20.000% * 0.0526% (0.48 1.0 0.02 0.02) = 0.053% Peak 180 (1.64, 9.47, 124.72 ppm): 13 chemical-shift based assignments, quality = 0.612, support = 2.38, residual support = 8.29: HG2 ARG+ 22 - HN HIS+ 98 7.692% * 34.5113% (0.99 1.80 8.68) = 34.511% kept * HB ILE 68 - HN HIS+ 98 7.692% * 25.5029% (0.41 3.22 15.60) = 25.503% kept HB3 MET 97 - HN HIS+ 98 7.692% * 21.7783% (0.34 3.31 3.95) = 21.778% kept HG LEU 23 - HN HIS+ 98 7.692% * 14.7882% (0.52 1.46 3.05) = 14.788% kept HB ILE 100 - HN HIS+ 98 7.692% * 1.3463% (0.45 0.16 0.25) = 1.346% kept HG3 ARG+ 84 - HN HIS+ 98 7.692% * 1.1451% (0.68 0.09 0.02) = 1.145% kept HB3 LYS+ 66 - HN HIS+ 98 7.692% * 0.1875% (0.48 0.02 0.23) = 0.188% HG12 ILE 101 - HN HIS+ 98 7.692% * 0.1727% (0.45 0.02 0.11) = 0.173% HG LEU 43 - HN HIS+ 98 7.692% * 0.1584% (0.41 0.02 0.02) = 0.158% HB VAL 122 - HN HIS+ 98 7.692% * 0.1584% (0.41 0.02 0.02) = 0.158% HB3 MET 126 - HN HIS+ 98 7.692% * 0.1071% (0.28 0.02 0.02) = 0.107% HG3 LYS+ 78 - HN HIS+ 98 7.692% * 0.0762% (0.20 0.02 0.02) = 0.076% HB3 LYS+ 81 - HN HIS+ 98 7.692% * 0.0675% (0.17 0.02 0.39) = 0.067% Peak 181 (8.87, 9.47, 124.72 ppm): 2 chemical-shift based assignments, quality = 0.941, support = 2.73, residual support = 15.6: * T HN ILE 68 - HN HIS+ 98 50.000% * 99.9233% (0.94 10.00 2.73 15.60) = 99.923% kept HN ASP- 36 - HN HIS+ 98 50.000% * 0.0767% (0.72 1.00 0.02 0.02) = 0.077% Peak 182 (3.13, 9.47, 124.72 ppm): 5 chemical-shift based assignments, quality = 0.64, support = 2.85, residual support = 23.7: * O HB3 HIS+ 98 - HN HIS+ 98 20.000% * 99.4932% (0.64 10.0 2.86 23.79) = 99.493% kept HE3 LYS+ 108 - HN HIS+ 98 20.000% * 0.1535% (0.99 1.0 0.02 0.02) = 0.153% HE3 LYS+ 117 - HN HIS+ 98 20.000% * 0.1535% (0.99 1.0 0.02 0.02) = 0.153% HE3 LYS+ 72 - HN HIS+ 98 20.000% * 0.1524% (0.99 1.0 0.02 0.02) = 0.152% HB3 ASP- 25 - HN HIS+ 98 20.000% * 0.0475% (0.31 1.0 0.02 0.02) = 0.047% Peak 183 (4.80, 9.47, 124.72 ppm): 4 chemical-shift based assignments, quality = 0.946, support = 0.591, residual support = 2.42: HA LEU 23 - HN HIS+ 98 25.000% * 79.1363% (0.99 0.70 3.05) = 79.136% kept HA GLU- 18 - HN HIS+ 98 25.000% * 18.4981% (0.80 0.20 0.02) = 18.498% kept HB THR 39 - HN HIS+ 98 25.000% * 1.7346% (0.76 0.02 0.02) = 1.735% kept HA ASN 15 - HN HIS+ 98 25.000% * 0.6311% (0.28 0.02 0.02) = 0.631% Peak 184 (0.70, 9.47, 124.72 ppm): 10 chemical-shift based assignments, quality = 0.813, support = 0.956, residual support = 5.73: * QG2 ILE 68 - HN HIS+ 98 10.000% * 35.9411% (0.80 1.50 15.60) = 35.941% kept QD1 ILE 19 - HN HIS+ 98 10.000% * 20.9912% (0.86 0.81 0.29) = 20.991% kept HG12 ILE 19 - HN HIS+ 98 10.000% * 17.5616% (0.76 0.77 0.29) = 17.562% kept QG2 THR 96 - HN HIS+ 98 10.000% * 15.7462% (0.83 0.63 0.02) = 15.746% kept QG2 ILE 101 - HN HIS+ 98 10.000% * 5.2020% (0.98 0.18 0.11) = 5.202% kept QG2 ILE 48 - HN HIS+ 98 10.000% * 3.1305% (0.96 0.11 0.02) = 3.131% kept QG1 VAL 65 - HN HIS+ 98 10.000% * 0.5776% (0.96 0.02 0.29) = 0.578% QG2 VAL 94 - HN HIS+ 98 10.000% * 0.4792% (0.80 0.02 0.02) = 0.479% HG LEU 74 - HN HIS+ 98 10.000% * 0.2041% (0.34 0.02 0.02) = 0.204% QG1 VAL 62 - HN HIS+ 98 10.000% * 0.1664% (0.28 0.02 0.02) = 0.166% Peak 186 (3.91, 8.93, 124.84 ppm): 8 chemical-shift based assignments, quality = 0.517, support = 3.17, residual support = 20.9: * O HB THR 96 - HN THR 96 12.500% * 99.7457% (0.52 10.0 3.18 20.98) = 99.746% kept HB2 SER 77 - HN THR 96 12.500% * 0.1528% (0.79 1.0 0.02 0.02) = 0.153% HD2 PRO 86 - HN THR 96 12.500% * 0.0305% (0.16 1.0 0.02 0.02) = 0.031% HD2 PRO 116 - HN THR 96 12.500% * 0.0238% (0.12 1.0 0.02 0.02) = 0.024% HB2 SER 77 - HN LEU 17 12.500% * 0.0235% (0.12 1.0 0.02 0.02) = 0.024% HB THR 96 - HN LEU 17 12.500% * 0.0153% (0.08 1.0 0.02 0.22) = 0.015% HD2 PRO 86 - HN LEU 17 12.500% * 0.0047% (0.02 1.0 0.02 0.02) = 0.005% HD2 PRO 116 - HN LEU 17 12.500% * 0.0037% (0.02 1.0 0.02 0.02) = 0.004% Peak 187 (8.93, 8.93, 124.84 ppm): 2 diagonal assignments: * HN THR 96 - HN THR 96 (0.64) kept HN LEU 17 - HN LEU 17 (0.04) kept Peak 188 (1.08, 8.93, 124.84 ppm): 4 chemical-shift based assignments, quality = 0.783, support = 4.26, residual support = 17.3: * QG2 THR 95 - HN THR 96 25.000% * 98.3088% (0.79 4.33 17.55) = 98.309% kept QG2 THR 95 - HN LEU 17 25.000% * 1.5281% (0.12 0.44 1.09) = 1.528% kept QG2 THR 79 - HN THR 96 25.000% * 0.1414% (0.25 0.02 0.02) = 0.141% QG2 THR 79 - HN LEU 17 25.000% * 0.0217% (0.04 0.02 0.02) = 0.022% Peak 189 (4.87, 8.93, 124.84 ppm): 6 chemical-shift based assignments, quality = 0.512, support = 4.06, residual support = 18.1: * O HA THR 96 - HN THR 96 16.667% * 82.7141% (0.52 10.0 4.31 20.98) = 82.714% kept HA ILE 19 - HN THR 96 16.667% * 13.0946% (0.45 1.0 3.62 5.73) = 13.095% kept HA ASP- 115 - HN THR 96 16.667% * 3.2566% (0.72 1.0 0.57 0.02) = 3.257% kept HA ILE 19 - HN LEU 17 16.667% * 0.9044% (0.07 1.0 1.62 13.76) = 0.904% HA ASP- 115 - HN LEU 17 16.667% * 0.0176% (0.11 1.0 0.02 0.02) = 0.018% HA THR 96 - HN LEU 17 16.667% * 0.0127% (0.08 1.0 0.02 0.22) = 0.013% Peak 190 (0.71, 8.93, 124.84 ppm): 24 chemical-shift based assignments, quality = 0.542, support = 3.01, residual support = 11.6: * QG2 THR 96 - HN THR 96 4.167% * 41.3792% (0.80 3.63 20.98) = 41.379% kept QD1 ILE 19 - HN THR 96 4.167% * 20.3530% (0.42 3.39 5.73) = 20.353% kept HG12 ILE 19 - HN THR 96 4.167% * 14.3044% (0.33 3.05 5.73) = 14.304% kept QG2 VAL 94 - HN THR 96 4.167% * 8.4497% (0.36 1.65 0.56) = 8.450% kept QD1 ILE 19 - HN LEU 17 4.167% * 2.9755% (0.06 3.22 13.76) = 2.976% kept QG2 ILE 48 - HN THR 96 4.167% * 2.7652% (0.73 0.27 0.02) = 2.765% kept QG2 ILE 101 - HN THR 96 4.167% * 2.6003% (0.79 0.23 0.02) = 2.600% kept HG12 ILE 19 - HN LEU 17 4.167% * 2.3951% (0.05 3.32 13.76) = 2.395% kept QG2 THR 96 - HN LEU 17 4.167% * 1.9389% (0.12 1.11 0.22) = 1.939% kept QG2 VAL 94 - HN LEU 17 4.167% * 1.6576% (0.06 2.11 7.19) = 1.658% kept QG2 VAL 65 - HN THR 96 4.167% * 0.4208% (0.16 0.19 0.02) = 0.421% QG1 VAL 65 - HN THR 96 4.167% * 0.2158% (0.76 0.02 0.02) = 0.216% HG LEU 74 - HN THR 96 4.167% * 0.1567% (0.55 0.02 0.02) = 0.157% QG2 ILE 68 - HN THR 96 4.167% * 0.1023% (0.36 0.02 0.02) = 0.102% QG1 VAL 40 - HN THR 96 4.167% * 0.0634% (0.22 0.02 0.02) = 0.063% QD1 ILE 68 - HN THR 96 4.167% * 0.0569% (0.20 0.02 0.02) = 0.057% QG2 ILE 101 - HN LEU 17 4.167% * 0.0347% (0.12 0.02 0.02) = 0.035% QG1 VAL 65 - HN LEU 17 4.167% * 0.0332% (0.12 0.02 0.02) = 0.033% QG2 ILE 48 - HN LEU 17 4.167% * 0.0321% (0.11 0.02 0.02) = 0.032% HG LEU 74 - HN LEU 17 4.167% * 0.0241% (0.08 0.02 0.02) = 0.024% QG2 ILE 68 - HN LEU 17 4.167% * 0.0157% (0.06 0.02 0.02) = 0.016% QG1 VAL 40 - HN LEU 17 4.167% * 0.0098% (0.03 0.02 0.02) = 0.010% QD1 ILE 68 - HN LEU 17 4.167% * 0.0087% (0.03 0.02 0.02) = 0.009% QG2 VAL 65 - HN LEU 17 4.167% * 0.0069% (0.02 0.02 0.02) = 0.007% Peak 191 (1.65, 8.93, 124.84 ppm): 26 chemical-shift based assignments, quality = 0.368, support = 2.02, residual support = 3.34: HB3 MET 97 - HN THR 96 3.846% * 69.3618% (0.33 2.80 4.81) = 69.362% kept HB3 LYS+ 66 - HN THR 96 3.846% * 15.0330% (0.45 0.44 0.02) = 15.033% kept HG2 ARG+ 22 - HN THR 96 3.846% * 8.1704% (0.79 0.14 0.02) = 8.170% kept HG12 ILE 101 - HN THR 96 3.846% * 2.1696% (0.30 0.10 0.02) = 2.170% kept HG3 ARG+ 84 - HN THR 96 3.846% * 0.9199% (0.61 0.02 0.02) = 0.920% HB ILE 100 - HN THR 96 3.846% * 0.6333% (0.42 0.02 0.02) = 0.633% HG LEU 23 - HN THR 96 3.846% * 0.5397% (0.36 0.02 0.02) = 0.540% HB ILE 68 - HN THR 96 3.846% * 0.4106% (0.27 0.02 0.02) = 0.411% HB VAL 122 - HN THR 96 3.846% * 0.4106% (0.27 0.02 0.02) = 0.411% HG LEU 43 - HN THR 96 3.846% * 0.4106% (0.27 0.02 0.02) = 0.411% HB3 MET 126 - HN THR 96 3.846% * 0.4106% (0.27 0.02 0.02) = 0.411% HB3 LYS+ 81 - HN THR 96 3.846% * 0.2680% (0.18 0.02 0.02) = 0.268% HG3 LYS+ 78 - HN THR 96 3.846% * 0.1857% (0.12 0.02 0.02) = 0.186% HG2 ARG+ 22 - HN LEU 17 3.846% * 0.1815% (0.12 0.02 0.02) = 0.181% HG3 ARG+ 84 - HN LEU 17 3.846% * 0.1415% (0.09 0.02 1.76) = 0.141% HB3 LYS+ 66 - HN LEU 17 3.846% * 0.1048% (0.07 0.02 0.02) = 0.105% HB ILE 100 - HN LEU 17 3.846% * 0.0974% (0.06 0.02 0.02) = 0.097% HG LEU 23 - HN LEU 17 3.846% * 0.0830% (0.06 0.02 0.13) = 0.083% HB3 MET 97 - HN LEU 17 3.846% * 0.0761% (0.05 0.02 0.94) = 0.076% HG12 ILE 101 - HN LEU 17 3.846% * 0.0695% (0.05 0.02 0.02) = 0.069% HB VAL 122 - HN LEU 17 3.846% * 0.0631% (0.04 0.02 0.02) = 0.063% HB ILE 68 - HN LEU 17 3.846% * 0.0631% (0.04 0.02 0.02) = 0.063% HG LEU 43 - HN LEU 17 3.846% * 0.0631% (0.04 0.02 0.02) = 0.063% HB3 MET 126 - HN LEU 17 3.846% * 0.0631% (0.04 0.02 0.02) = 0.063% HB3 LYS+ 81 - HN LEU 17 3.846% * 0.0412% (0.03 0.02 0.02) = 0.041% HG3 LYS+ 78 - HN LEU 17 3.846% * 0.0286% (0.02 0.02 0.02) = 0.029% Peak 193 (4.21, 8.22, 124.48 ppm): 9 chemical-shift based assignments, quality = 0.356, support = 1.4, residual support = 2.66: * O HA GLU- 10 - HN ALA 11 11.111% * 78.5325% (0.24 10.0 1.61 2.95) = 78.532% kept HA GLU- 12 - HN ALA 11 11.111% * 13.9755% (0.92 1.0 0.75 2.35) = 13.975% kept HB3 SER 49 - HN ALA 11 11.111% * 6.3242% (0.61 1.0 0.51 0.24) = 6.324% kept HA ASP- 82 - HN ALA 11 11.111% * 0.3514% (0.87 1.0 0.02 0.02) = 0.351% HA GLU- 109 - HN ALA 11 11.111% * 0.2692% (0.67 1.0 0.02 0.02) = 0.269% HA SER 49 - HN ALA 11 11.111% * 0.1907% (0.47 1.0 0.02 0.24) = 0.191% HA ALA 42 - HN ALA 11 11.111% * 0.1611% (0.40 1.0 0.02 0.02) = 0.161% HA LYS+ 108 - HN ALA 11 11.111% * 0.0977% (0.24 1.0 0.02 0.02) = 0.098% HA GLU- 54 - HN ALA 11 11.111% * 0.0977% (0.24 1.0 0.02 0.02) = 0.098% Peak 194 (8.21, 8.22, 124.48 ppm): 1 diagonal assignment: * HN ALA 11 - HN ALA 11 (0.97) kept Peak 195 (1.34, 8.22, 124.48 ppm): 5 chemical-shift based assignments, quality = 0.584, support = 0.476, residual support = 0.219: HB2 ARG+ 22 - HN ALA 11 20.000% * 56.6695% (0.74 0.48 0.28) = 56.670% kept QG2 THR 46 - HN ALA 11 20.000% * 35.4368% (0.40 0.56 0.16) = 35.437% kept HG3 LYS+ 81 - HN ALA 11 20.000% * 6.5551% (0.36 0.11 0.02) = 6.555% kept HB3 LEU 17 - HN ALA 11 20.000% * 0.8608% (0.27 0.02 0.02) = 0.861% HB3 LYS+ 20 - HN ALA 11 20.000% * 0.4777% (0.15 0.02 0.02) = 0.478% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 196 (4.78, 8.22, 124.48 ppm): 2 chemical-shift based assignments, quality = 0.864, support = 0.283, residual support = 0.17: HA ASN 15 - HN ALA 11 50.000% * 86.7222% (0.96 0.30 0.19) = 86.722% kept HA LEU 23 - HN ALA 11 50.000% * 13.2778% (0.24 0.18 0.02) = 13.278% kept Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 197 (1.99, 8.22, 124.48 ppm): 14 chemical-shift based assignments, quality = 0.58, support = 0.356, residual support = 0.0474: HG2 PRO 112 - HN ALA 11 7.143% * 31.2141% (0.49 0.63 0.02) = 31.214% kept HB2 PRO 86 - HN ALA 11 7.143% * 29.5310% (0.87 0.33 0.11) = 29.531% kept HB VAL 73 - HN ALA 11 7.143% * 8.9836% (0.51 0.17 0.02) = 8.984% kept HG3 PRO 112 - HN ALA 11 7.143% * 8.8257% (0.36 0.24 0.02) = 8.826% kept HB2 HIS+ 14 - HN ALA 11 7.143% * 8.4335% (0.43 0.19 0.02) = 8.434% kept HB3 MET 118 - HN ALA 11 7.143% * 3.7254% (0.43 0.08 0.02) = 3.725% kept HB3 GLU- 75 - HN ALA 11 7.143% * 3.0229% (0.17 0.17 0.02) = 3.023% kept HB2 LYS+ 108 - HN ALA 11 7.143% * 1.9588% (0.96 0.02 0.02) = 1.959% kept HB3 GLU- 56 - HN ALA 11 7.143% * 1.4351% (0.70 0.02 0.02) = 1.435% kept HG3 PRO 104 - HN ALA 11 7.143% * 1.1987% (0.59 0.02 0.02) = 1.199% kept HB2 GLU- 18 - HN ALA 11 7.143% * 0.6741% (0.33 0.02 0.02) = 0.674% HG2 PRO 116 - HN ALA 11 7.143% * 0.3461% (0.17 0.02 0.02) = 0.346% HB3 GLU- 109 - HN ALA 11 7.143% * 0.3461% (0.17 0.02 0.02) = 0.346% HB3 GLU- 107 - HN ALA 11 7.143% * 0.3049% (0.15 0.02 0.02) = 0.305% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 198 (3.96, 8.22, 124.48 ppm): 3 chemical-shift based assignments, quality = 0.558, support = 0.711, residual support = 0.9: HA LEU 74 - HN ALA 11 33.333% * 55.2749% (0.51 0.85 0.70) = 55.275% kept HA1 GLY 114 - HN ALA 11 33.333% * 44.1724% (0.63 0.55 1.16) = 44.172% kept HA1 GLY 92 - HN ALA 11 33.333% * 0.5528% (0.22 0.02 0.15) = 0.553% Peak 199 (4.54, 8.49, 124.44 ppm): 12 chemical-shift based assignments, quality = 0.666, support = 4.53, residual support = 32.9: * O HA LEU 17 - HN GLU- 18 8.333% * 99.4544% (0.67 10.0 4.56 33.07) = 99.454% kept HA ALA 103 - HN GLU- 10 8.333% * 0.1268% (0.85 1.0 0.02 0.02) = 0.127% HA ALA 103 - HN GLU- 18 8.333% * 0.1167% (0.79 1.0 0.02 0.02) = 0.117% HA LEU 17 - HN GLU- 10 8.333% * 0.1080% (0.73 1.0 0.02 0.02) = 0.108% HB THR 46 - HN GLU- 10 8.333% * 0.0485% (0.33 1.0 0.02 0.02) = 0.049% HB THR 46 - HN GLU- 18 8.333% * 0.0447% (0.30 1.0 0.02 0.02) = 0.045% HA ALA 103 - HN GLU- 107 8.333% * 0.0261% (0.18 1.0 0.02 0.02) = 0.026% HA LEU 17 - HN GLU- 107 8.333% * 0.0223% (0.15 1.0 0.02 0.02) = 0.022% HA LYS+ 55 - HN GLU- 10 8.333% * 0.0200% (0.13 1.0 0.02 0.02) = 0.020% HA LYS+ 55 - HN GLU- 18 8.333% * 0.0184% (0.12 1.0 0.02 0.02) = 0.018% HB THR 46 - HN GLU- 107 8.333% * 0.0100% (0.07 1.0 0.02 0.02) = 0.010% HA LYS+ 55 - HN GLU- 107 8.333% * 0.0041% (0.03 1.0 0.02 0.02) = 0.004% Peak 200 (1.74, 8.49, 124.44 ppm): 18 chemical-shift based assignments, quality = 0.538, support = 5.14, residual support = 24.9: HB2 LEU 17 - HN GLU- 18 5.556% * 74.7497% (0.58 6.32 33.07) = 74.750% kept HB2 GLN 16 - HN GLU- 18 5.556% * 13.3008% (0.22 2.93 1.50) = 13.301% kept HB3 LEU 23 - HN GLU- 10 5.556% * 5.3809% (0.84 0.31 0.02) = 5.381% kept HB3 LEU 23 - HN GLU- 18 5.556% * 3.6264% (0.77 0.23 0.02) = 3.626% kept HB ILE 48 - HN GLU- 107 5.556% * 0.6241% (0.18 0.17 0.02) = 0.624% HB ILE 48 - HN GLU- 10 5.556% * 0.3541% (0.87 0.02 0.02) = 0.354% HB2 LYS+ 117 - HN GLU- 10 5.556% * 0.3349% (0.82 0.02 0.02) = 0.335% HB ILE 48 - HN GLU- 18 5.556% * 0.3260% (0.80 0.02 0.02) = 0.326% HB2 LYS+ 117 - HN GLU- 18 5.556% * 0.3084% (0.76 0.02 0.02) = 0.308% HB2 LEU 17 - HN GLU- 10 5.556% * 0.2571% (0.63 0.02 0.02) = 0.257% HD3 PRO 59 - HN GLU- 10 5.556% * 0.2004% (0.49 0.02 0.02) = 0.200% HD3 PRO 59 - HN GLU- 18 5.556% * 0.1846% (0.45 0.02 0.02) = 0.185% HB2 GLN 16 - HN GLU- 10 5.556% * 0.0984% (0.24 0.02 0.02) = 0.098% HB3 LEU 23 - HN GLU- 107 5.556% * 0.0705% (0.17 0.02 0.02) = 0.070% HB2 LYS+ 117 - HN GLU- 107 5.556% * 0.0691% (0.17 0.02 0.02) = 0.069% HB2 LEU 17 - HN GLU- 107 5.556% * 0.0530% (0.13 0.02 0.02) = 0.053% HD3 PRO 59 - HN GLU- 107 5.556% * 0.0413% (0.10 0.02 0.02) = 0.041% HB2 GLN 16 - HN GLU- 107 5.556% * 0.0203% (0.05 0.02 0.30) = 0.020% Reference assignment not found: HB3 GLU- 18 - HN GLU- 18 Peak 201 (0.91, 8.49, 124.44 ppm): 36 chemical-shift based assignments, quality = 0.226, support = 3.02, residual support = 22.4: * QD1 LEU 17 - HN GLU- 18 2.778% * 67.7405% (0.27 4.25 33.07) = 67.741% kept QD1 LEU 67 - HN GLU- 18 2.778% * 4.9401% (0.67 0.13 0.02) = 4.940% kept QG2 VAL 105 - HN GLU- 107 2.778% * 4.7863% (0.07 1.22 0.11) = 4.786% kept QG1 VAL 105 - HN GLU- 107 2.778% * 3.8727% (0.06 1.20 0.11) = 3.873% kept QD1 LEU 17 - HN GLU- 107 2.778% * 3.1854% (0.06 0.89 0.02) = 3.185% kept HG3 LYS+ 117 - HN GLU- 10 2.778% * 0.9108% (0.78 0.02 0.02) = 0.911% QD1 LEU 67 - HN GLU- 107 2.778% * 0.8831% (0.15 0.10 0.02) = 0.883% QG2 VAL 80 - HN GLU- 10 2.778% * 0.8483% (0.73 0.02 0.02) = 0.848% QD1 LEU 67 - HN GLU- 10 2.778% * 0.8483% (0.73 0.02 0.02) = 0.848% HG3 LYS+ 117 - HN GLU- 18 2.778% * 0.8386% (0.72 0.02 0.02) = 0.839% QG2 VAL 80 - HN GLU- 18 2.778% * 0.7811% (0.67 0.02 0.02) = 0.781% QG1 VAL 47 - HN GLU- 10 2.778% * 0.7761% (0.67 0.02 0.02) = 0.776% HG3 LYS+ 110 - HN GLU- 10 2.778% * 0.7375% (0.63 0.02 0.02) = 0.737% QG1 VAL 47 - HN GLU- 18 2.778% * 0.7146% (0.61 0.02 0.02) = 0.715% QG2 VAL 87 - HN GLU- 10 2.778% * 0.6976% (0.60 0.02 0.02) = 0.698% QG2 VAL 40 - HN GLU- 10 2.778% * 0.6976% (0.60 0.02 0.02) = 0.698% HG3 LYS+ 110 - HN GLU- 18 2.778% * 0.6790% (0.58 0.02 0.02) = 0.679% HG12 ILE 68 - HN GLU- 10 2.778% * 0.6570% (0.56 0.02 0.02) = 0.657% QG2 VAL 87 - HN GLU- 18 2.778% * 0.6423% (0.55 0.02 0.02) = 0.642% QG2 VAL 40 - HN GLU- 18 2.778% * 0.6423% (0.55 0.02 0.02) = 0.642% HG12 ILE 68 - HN GLU- 18 2.778% * 0.6049% (0.52 0.02 0.02) = 0.605% QG2 VAL 105 - HN GLU- 10 2.778% * 0.3812% (0.33 0.02 0.02) = 0.381% QG2 VAL 105 - HN GLU- 18 2.778% * 0.3510% (0.30 0.02 0.02) = 0.351% QD1 LEU 17 - HN GLU- 10 2.778% * 0.3464% (0.30 0.02 0.02) = 0.346% QG1 VAL 80 - HN GLU- 10 2.778% * 0.3464% (0.30 0.02 0.02) = 0.346% QG1 VAL 80 - HN GLU- 18 2.778% * 0.3190% (0.27 0.02 0.02) = 0.319% QG1 VAL 105 - HN GLU- 10 2.778% * 0.3135% (0.27 0.02 0.02) = 0.313% QG1 VAL 105 - HN GLU- 18 2.778% * 0.2886% (0.25 0.02 0.02) = 0.289% HG3 LYS+ 117 - HN GLU- 107 2.778% * 0.1879% (0.16 0.02 0.02) = 0.188% QG2 VAL 80 - HN GLU- 107 2.778% * 0.1750% (0.15 0.02 0.02) = 0.175% QG1 VAL 47 - HN GLU- 107 2.778% * 0.1601% (0.14 0.02 0.02) = 0.160% HG3 LYS+ 110 - HN GLU- 107 2.778% * 0.1521% (0.13 0.02 0.02) = 0.152% QG2 VAL 87 - HN GLU- 107 2.778% * 0.1439% (0.12 0.02 0.02) = 0.144% QG2 VAL 40 - HN GLU- 107 2.778% * 0.1439% (0.12 0.02 0.02) = 0.144% HG12 ILE 68 - HN GLU- 107 2.778% * 0.1355% (0.12 0.02 0.02) = 0.136% QG1 VAL 80 - HN GLU- 107 2.778% * 0.0715% (0.06 0.02 0.02) = 0.071% Peak 203 (1.99, 8.49, 124.44 ppm): 39 chemical-shift based assignments, quality = 0.251, support = 4.69, residual support = 45.8: * O HB2 GLU- 18 - HN GLU- 18 2.564% * 84.6761% (0.25 10.0 5.45 53.83) = 84.676% kept HG2 PRO 112 - HN GLU- 18 2.564% * 4.7045% (0.40 1.0 0.68 0.12) = 4.705% kept HB2 LYS+ 108 - HN GLU- 107 2.564% * 3.6807% (0.18 1.0 1.20 5.96) = 3.681% kept HB2 PRO 86 - HN GLU- 10 2.564% * 1.9082% (0.80 1.0 0.14 0.02) = 1.908% kept HB3 GLU- 75 - HN GLU- 18 2.564% * 0.8451% (0.14 1.0 0.36 0.02) = 0.845% HG2 PRO 112 - HN GLU- 10 2.564% * 0.5616% (0.44 1.0 0.08 0.02) = 0.562% HB3 GLU- 75 - HN GLU- 107 2.564% * 0.3364% (0.03 1.0 0.64 0.02) = 0.336% HB2 LYS+ 108 - HN GLU- 10 2.564% * 0.2973% (0.87 1.0 0.02 0.02) = 0.297% HB2 LYS+ 108 - HN GLU- 18 2.564% * 0.2737% (0.80 1.0 0.02 0.02) = 0.274% HB2 PRO 86 - HN GLU- 18 2.564% * 0.2533% (0.74 1.0 0.02 0.02) = 0.253% HB3 GLU- 56 - HN GLU- 10 2.564% * 0.2277% (0.67 1.0 0.02 0.02) = 0.228% HB3 GLU- 56 - HN GLU- 18 2.564% * 0.2097% (0.61 1.0 0.02 0.02) = 0.210% HG3 PRO 104 - HN GLU- 10 2.564% * 0.1928% (0.56 1.0 0.02 0.02) = 0.193% HG3 PRO 104 - HN GLU- 18 2.564% * 0.1775% (0.52 1.0 0.02 0.02) = 0.177% HB VAL 73 - HN GLU- 10 2.564% * 0.1687% (0.49 1.0 0.02 0.02) = 0.169% HB VAL 73 - HN GLU- 18 2.564% * 0.1553% (0.45 1.0 0.02 0.02) = 0.155% HB3 MET 118 - HN GLU- 10 2.564% * 0.1225% (0.36 1.0 0.02 0.02) = 0.122% HB2 HIS+ 14 - HN GLU- 10 2.564% * 0.1225% (0.36 1.0 0.02 0.02) = 0.122% HB3 MET 118 - HN GLU- 18 2.564% * 0.1128% (0.33 1.0 0.02 0.02) = 0.113% HB2 HIS+ 14 - HN GLU- 18 2.564% * 0.1128% (0.33 1.0 0.02 0.02) = 0.113% HG3 PRO 112 - HN GLU- 10 2.564% * 0.1016% (0.30 1.0 0.02 0.02) = 0.102% HG3 PRO 112 - HN GLU- 18 2.564% * 0.0936% (0.27 1.0 0.02 0.12) = 0.094% HB2 GLU- 18 - HN GLU- 10 2.564% * 0.0920% (0.27 1.0 0.02 0.02) = 0.092% HB3 GLU- 109 - HN GLU- 10 2.564% * 0.0590% (0.17 1.0 0.02 0.02) = 0.059% HB2 PRO 86 - HN GLU- 107 2.564% * 0.0567% (0.17 1.0 0.02 0.02) = 0.057% HB3 GLU- 109 - HN GLU- 18 2.564% * 0.0543% (0.16 1.0 0.02 0.02) = 0.054% HB3 GLU- 75 - HN GLU- 10 2.564% * 0.0511% (0.15 1.0 0.02 0.02) = 0.051% HB3 GLU- 56 - HN GLU- 107 2.564% * 0.0470% (0.14 1.0 0.02 0.02) = 0.047% HG2 PRO 116 - HN GLU- 10 2.564% * 0.0460% (0.13 1.0 0.02 0.02) = 0.046% HG2 PRO 116 - HN GLU- 18 2.564% * 0.0423% (0.12 1.0 0.02 0.02) = 0.042% HG3 PRO 104 - HN GLU- 107 2.564% * 0.0398% (0.12 1.0 0.02 0.02) = 0.040% HB VAL 73 - HN GLU- 107 2.564% * 0.0348% (0.10 1.0 0.02 0.12) = 0.035% HG2 PRO 112 - HN GLU- 107 2.564% * 0.0308% (0.09 1.0 0.02 0.02) = 0.031% HB3 MET 118 - HN GLU- 107 2.564% * 0.0253% (0.07 1.0 0.02 0.02) = 0.025% HB2 HIS+ 14 - HN GLU- 107 2.564% * 0.0253% (0.07 1.0 0.02 0.02) = 0.025% HG3 PRO 112 - HN GLU- 107 2.564% * 0.0210% (0.06 1.0 0.02 0.02) = 0.021% HB2 GLU- 18 - HN GLU- 107 2.564% * 0.0190% (0.06 1.0 0.02 0.02) = 0.019% HB3 GLU- 109 - HN GLU- 107 2.564% * 0.0122% (0.04 1.0 0.02 0.02) = 0.012% HG2 PRO 116 - HN GLU- 107 2.564% * 0.0095% (0.03 1.0 0.02 0.02) = 0.009% Peak 204 (1.58, 8.49, 124.44 ppm): 36 chemical-shift based assignments, quality = 0.606, support = 4.4, residual support = 28.7: * HG LEU 17 - HN GLU- 18 2.778% * 55.0049% (0.61 5.16 33.07) = 55.005% kept HB ILE 19 - HN GLU- 18 2.778% * 41.7838% (0.64 3.74 25.23) = 41.784% kept HB3 LYS+ 32 - HN GLU- 10 2.778% * 0.2627% (0.76 0.02 0.02) = 0.263% HB ILE 19 - HN GLU- 10 2.778% * 0.2425% (0.70 0.02 0.02) = 0.242% HB3 LYS+ 32 - HN GLU- 18 2.778% * 0.2419% (0.70 0.02 2.77) = 0.242% HG LEU 17 - HN GLU- 10 2.778% * 0.2314% (0.67 0.02 0.02) = 0.231% HD3 LYS+ 60 - HN GLU- 10 2.778% * 0.2080% (0.60 0.02 0.02) = 0.208% HD3 LYS+ 60 - HN GLU- 18 2.778% * 0.1915% (0.55 0.02 0.02) = 0.192% HD3 LYS+ 81 - HN GLU- 10 2.778% * 0.1837% (0.53 0.02 0.02) = 0.184% HD3 LYS+ 81 - HN GLU- 18 2.778% * 0.1691% (0.49 0.02 0.02) = 0.169% HD3 LYS+ 32 - HN GLU- 10 2.778% * 0.1137% (0.33 0.02 0.02) = 0.114% HD3 LYS+ 32 - HN GLU- 18 2.778% * 0.1046% (0.30 0.02 2.77) = 0.105% QB ALA 42 - HN GLU- 10 2.778% * 0.1033% (0.30 0.02 0.02) = 0.103% HG12 ILE 29 - HN GLU- 10 2.778% * 0.1033% (0.30 0.02 0.02) = 0.103% QB ALA 42 - HN GLU- 18 2.778% * 0.0951% (0.27 0.02 0.02) = 0.095% HG12 ILE 29 - HN GLU- 18 2.778% * 0.0951% (0.27 0.02 0.02) = 0.095% HB3 LEU 90 - HN GLU- 10 2.778% * 0.0842% (0.24 0.02 0.02) = 0.084% HB3 LEU 90 - HN GLU- 18 2.778% * 0.0775% (0.22 0.02 0.02) = 0.078% HB3 PRO 52 - HN GLU- 10 2.778% * 0.0755% (0.22 0.02 0.02) = 0.076% HB3 PRO 52 - HN GLU- 18 2.778% * 0.0695% (0.20 0.02 0.02) = 0.070% HG13 ILE 29 - HN GLU- 10 2.778% * 0.0599% (0.17 0.02 0.02) = 0.060% HG13 ILE 29 - HN GLU- 18 2.778% * 0.0552% (0.16 0.02 0.02) = 0.055% HB3 LYS+ 32 - HN GLU- 107 2.778% * 0.0542% (0.16 0.02 0.02) = 0.054% HB ILE 19 - HN GLU- 107 2.778% * 0.0500% (0.14 0.02 0.02) = 0.050% HG LEU 17 - HN GLU- 107 2.778% * 0.0477% (0.14 0.02 0.02) = 0.048% HG2 LYS+ 110 - HN GLU- 10 2.778% * 0.0467% (0.13 0.02 0.02) = 0.047% HG2 LYS+ 110 - HN GLU- 18 2.778% * 0.0430% (0.12 0.02 0.02) = 0.043% HD3 LYS+ 60 - HN GLU- 107 2.778% * 0.0429% (0.12 0.02 0.02) = 0.043% HD3 LYS+ 81 - HN GLU- 107 2.778% * 0.0379% (0.11 0.02 0.02) = 0.038% HD3 LYS+ 32 - HN GLU- 107 2.778% * 0.0234% (0.07 0.02 0.02) = 0.023% QB ALA 42 - HN GLU- 107 2.778% * 0.0213% (0.06 0.02 0.02) = 0.021% HG12 ILE 29 - HN GLU- 107 2.778% * 0.0213% (0.06 0.02 0.02) = 0.021% HB3 LEU 90 - HN GLU- 107 2.778% * 0.0174% (0.05 0.02 0.02) = 0.017% HB3 PRO 52 - HN GLU- 107 2.778% * 0.0156% (0.04 0.02 0.02) = 0.016% HG13 ILE 29 - HN GLU- 107 2.778% * 0.0124% (0.04 0.02 0.02) = 0.012% HG2 LYS+ 110 - HN GLU- 107 2.778% * 0.0096% (0.03 0.02 0.02) = 0.010% Peak 205 (1.34, 8.49, 124.44 ppm): 18 chemical-shift based assignments, quality = 0.365, support = 4.15, residual support = 18.3: * HB3 LEU 17 - HN GLU- 18 5.556% * 54.3860% (0.27 6.82 33.07) = 54.386% kept HB2 ARG+ 22 - HN GLU- 10 5.556% * 17.9945% (0.60 1.03 0.51) = 17.995% kept HB2 ARG+ 22 - HN GLU- 18 5.556% * 16.5161% (0.55 1.03 0.18) = 16.516% kept QB ALA 11 - HN GLU- 10 5.556% * 5.0948% (0.15 1.15 2.95) = 5.095% kept HB3 LYS+ 20 - HN GLU- 18 5.556% * 3.6839% (0.16 0.80 1.35) = 3.684% kept QG2 THR 46 - HN GLU- 10 5.556% * 1.1424% (0.30 0.13 0.02) = 1.142% kept HG3 LYS+ 81 - HN GLU- 10 5.556% * 0.2277% (0.39 0.02 0.02) = 0.228% HG3 LYS+ 81 - HN GLU- 18 5.556% * 0.2097% (0.36 0.02 0.02) = 0.210% HB3 LEU 17 - HN GLU- 10 5.556% * 0.1733% (0.30 0.02 0.02) = 0.173% QG2 THR 46 - HN GLU- 18 5.556% * 0.1595% (0.27 0.02 0.02) = 0.160% HB3 LYS+ 20 - HN GLU- 10 5.556% * 0.1005% (0.17 0.02 0.02) = 0.101% QB ALA 11 - HN GLU- 18 5.556% * 0.0819% (0.14 0.02 0.02) = 0.082% HB2 ARG+ 22 - HN GLU- 107 5.556% * 0.0720% (0.12 0.02 0.02) = 0.072% HG3 LYS+ 81 - HN GLU- 107 5.556% * 0.0470% (0.08 0.02 0.02) = 0.047% HB3 LEU 17 - HN GLU- 107 5.556% * 0.0357% (0.06 0.02 0.02) = 0.036% QG2 THR 46 - HN GLU- 107 5.556% * 0.0357% (0.06 0.02 0.02) = 0.036% HB3 LYS+ 20 - HN GLU- 107 5.556% * 0.0207% (0.04 0.02 0.02) = 0.021% QB ALA 11 - HN GLU- 107 5.556% * 0.0184% (0.03 0.02 0.02) = 0.018% Peak 206 (0.67, 8.49, 124.44 ppm): 24 chemical-shift based assignments, quality = 0.454, support = 3.75, residual support = 21.2: QD1 ILE 19 - HN GLU- 18 4.167% * 41.2226% (0.42 4.80 25.23) = 41.223% kept HG12 ILE 19 - HN GLU- 18 4.167% * 40.8016% (0.52 3.86 25.23) = 40.802% kept QG2 VAL 94 - HN GLU- 18 4.167% * 13.7903% (0.49 1.39 3.64) = 13.790% kept QG2 ILE 101 - HN GLU- 107 4.167% * 1.0208% (0.09 0.56 0.02) = 1.021% kept QG1 VAL 62 - HN GLU- 10 4.167% * 0.3540% (0.87 0.02 0.02) = 0.354% QG2 ILE 48 - HN GLU- 10 4.167% * 0.3455% (0.85 0.02 0.02) = 0.345% QG1 VAL 62 - HN GLU- 18 4.167% * 0.3260% (0.80 0.02 0.02) = 0.326% QG2 ILE 48 - HN GLU- 18 4.167% * 0.3181% (0.78 0.02 0.02) = 0.318% HG12 ILE 19 - HN GLU- 10 4.167% * 0.2295% (0.56 0.02 0.02) = 0.230% QG2 VAL 94 - HN GLU- 10 4.167% * 0.2152% (0.53 0.02 0.02) = 0.215% QG2 ILE 68 - HN GLU- 10 4.167% * 0.2152% (0.53 0.02 0.02) = 0.215% QG2 ILE 68 - HN GLU- 18 4.167% * 0.1981% (0.49 0.02 0.02) = 0.198% QD1 ILE 19 - HN GLU- 10 4.167% * 0.1867% (0.46 0.02 0.02) = 0.187% QG2 ILE 101 - HN GLU- 10 4.167% * 0.1776% (0.44 0.02 0.02) = 0.178% QG2 ILE 101 - HN GLU- 18 4.167% * 0.1635% (0.40 0.02 0.52) = 0.164% QG1 VAL 62 - HN GLU- 107 4.167% * 0.0730% (0.18 0.02 0.02) = 0.073% QG2 ILE 48 - HN GLU- 107 4.167% * 0.0713% (0.17 0.02 0.02) = 0.071% QG1 VAL 65 - HN GLU- 10 4.167% * 0.0547% (0.13 0.02 0.02) = 0.055% QG1 VAL 65 - HN GLU- 18 4.167% * 0.0504% (0.12 0.02 0.02) = 0.050% HG12 ILE 19 - HN GLU- 107 4.167% * 0.0473% (0.12 0.02 0.02) = 0.047% QG2 ILE 68 - HN GLU- 107 4.167% * 0.0444% (0.11 0.02 0.02) = 0.044% QG2 VAL 94 - HN GLU- 107 4.167% * 0.0444% (0.11 0.02 0.02) = 0.044% QD1 ILE 19 - HN GLU- 107 4.167% * 0.0385% (0.09 0.02 0.02) = 0.039% QG1 VAL 65 - HN GLU- 107 4.167% * 0.0113% (0.03 0.02 0.02) = 0.011% Peak 207 (4.69, 8.96, 124.53 ppm): 24 chemical-shift based assignments, quality = 0.744, support = 3.87, residual support = 18.1: * O HA GLN 16 - HN LEU 17 4.167% * 96.4394% (0.76 10.0 3.96 18.76) = 96.439% kept HA GLN 16 - HN ILE 19 4.167% * 2.9147% (0.27 1.0 1.68 1.50) = 2.915% kept HA ASN 89 - HN LEU 17 4.167% * 0.0964% (0.76 1.0 0.02 0.02) = 0.096% HA VAL 99 - HN LEU 17 4.167% * 0.0765% (0.61 1.0 0.02 0.32) = 0.077% HA TYR 83 - HN LEU 17 4.167% * 0.0664% (0.53 1.0 0.02 0.02) = 0.066% HA THR 61 - HN LEU 17 4.167% * 0.0566% (0.45 1.0 0.02 0.02) = 0.057% HA THR 39 - HN LEU 17 4.167% * 0.0389% (0.31 1.0 0.02 0.02) = 0.039% HA PRO 35 - HN LEU 17 4.167% * 0.0389% (0.31 1.0 0.02 0.02) = 0.039% HA ASN 89 - HN ILE 19 4.167% * 0.0346% (0.27 1.0 0.02 0.02) = 0.035% HA2 GLY 30 - HN LEU 17 4.167% * 0.0315% (0.25 1.0 0.02 2.51) = 0.031% HA VAL 99 - HN ILE 19 4.167% * 0.0275% (0.22 1.0 0.02 0.02) = 0.027% HA TYR 83 - HN ILE 19 4.167% * 0.0238% (0.19 1.0 0.02 0.02) = 0.024% HA THR 61 - HN ILE 19 4.167% * 0.0203% (0.16 1.0 0.02 0.47) = 0.020% HA GLN 16 - HN THR 96 4.167% * 0.0183% (0.14 1.0 0.02 0.02) = 0.018% HA ASN 89 - HN THR 96 4.167% * 0.0183% (0.14 1.0 0.02 0.02) = 0.018% HA VAL 99 - HN THR 96 4.167% * 0.0145% (0.11 1.0 0.02 0.02) = 0.015% HA THR 39 - HN ILE 19 4.167% * 0.0140% (0.11 1.0 0.02 0.14) = 0.014% HA PRO 35 - HN ILE 19 4.167% * 0.0140% (0.11 1.0 0.02 0.02) = 0.014% HA TYR 83 - HN THR 96 4.167% * 0.0126% (0.10 1.0 0.02 0.02) = 0.013% HA2 GLY 30 - HN ILE 19 4.167% * 0.0113% (0.09 1.0 0.02 0.02) = 0.011% HA THR 61 - HN THR 96 4.167% * 0.0107% (0.08 1.0 0.02 0.02) = 0.011% HA PRO 35 - HN THR 96 4.167% * 0.0074% (0.06 1.0 0.02 0.02) = 0.007% HA THR 39 - HN THR 96 4.167% * 0.0074% (0.06 1.0 0.02 0.02) = 0.007% HA2 GLY 30 - HN THR 96 4.167% * 0.0060% (0.05 1.0 0.02 0.02) = 0.006% Peak 208 (1.72, 8.96, 124.53 ppm): 15 chemical-shift based assignments, quality = 0.956, support = 3.23, residual support = 17.7: * HB2 GLN 16 - HN LEU 17 6.667% * 94.2635% (1.00 3.41 18.76) = 94.263% kept HB2 GLN 16 - HN ILE 19 6.667% * 4.2276% (0.36 0.43 1.50) = 4.228% kept HB2 GLN 16 - HN THR 96 6.667% * 0.8191% (0.19 0.16 0.02) = 0.819% HB ILE 48 - HN LEU 17 6.667% * 0.1538% (0.28 0.02 0.02) = 0.154% HG2 PRO 52 - HN LEU 17 6.667% * 0.1095% (0.20 0.02 2.64) = 0.109% HB3 LEU 23 - HN LEU 17 6.667% * 0.0969% (0.17 0.02 0.13) = 0.097% HB2 LYS+ 117 - HN LEU 17 6.667% * 0.0853% (0.15 0.02 0.02) = 0.085% HB ILE 48 - HN ILE 19 6.667% * 0.0552% (0.10 0.02 0.02) = 0.055% HG2 PRO 52 - HN ILE 19 6.667% * 0.0393% (0.07 0.02 0.02) = 0.039% HB3 LEU 23 - HN ILE 19 6.667% * 0.0348% (0.06 0.02 0.02) = 0.035% HB2 LYS+ 117 - HN ILE 19 6.667% * 0.0306% (0.06 0.02 0.02) = 0.031% HB ILE 48 - HN THR 96 6.667% * 0.0292% (0.05 0.02 0.02) = 0.029% HG2 PRO 52 - HN THR 96 6.667% * 0.0208% (0.04 0.02 0.02) = 0.021% HB3 LEU 23 - HN THR 96 6.667% * 0.0184% (0.03 0.02 0.02) = 0.018% HB2 LYS+ 117 - HN THR 96 6.667% * 0.0162% (0.03 0.02 0.02) = 0.016% Peak 209 (8.96, 8.96, 124.53 ppm): 3 diagonal assignments: * HN LEU 17 - HN LEU 17 (1.00) kept HN ILE 19 - HN ILE 19 (0.22) kept HN THR 96 - HN THR 96 (0.13) kept Peak 210 (4.55, 8.96, 124.53 ppm): 12 chemical-shift based assignments, quality = 0.963, support = 3.82, residual support = 84.7: * O HA LEU 17 - HN LEU 17 8.333% * 94.8898% (1.00 10.0 3.87 88.51) = 94.890% kept HA LEU 17 - HN ILE 19 8.333% * 4.9160% (0.36 1.0 2.89 13.76) = 4.916% kept HA ALA 103 - HN LEU 17 8.333% * 0.0727% (0.76 1.0 0.02 0.02) = 0.073% HA LYS+ 78 - HN LEU 17 8.333% * 0.0264% (0.28 1.0 0.02 0.02) = 0.026% HA ALA 103 - HN ILE 19 8.333% * 0.0261% (0.27 1.0 0.02 0.02) = 0.026% HA LEU 17 - HN THR 96 8.333% * 0.0180% (0.19 1.0 0.02 0.22) = 0.018% HB THR 46 - HN LEU 17 8.333% * 0.0147% (0.15 1.0 0.02 0.02) = 0.015% HA ALA 103 - HN THR 96 8.333% * 0.0138% (0.14 1.0 0.02 0.02) = 0.014% HA LYS+ 78 - HN ILE 19 8.333% * 0.0095% (0.10 1.0 0.02 0.02) = 0.009% HB THR 46 - HN ILE 19 8.333% * 0.0053% (0.06 1.0 0.02 0.02) = 0.005% HA LYS+ 78 - HN THR 96 8.333% * 0.0050% (0.05 1.0 0.02 0.02) = 0.005% HB THR 46 - HN THR 96 8.333% * 0.0028% (0.03 1.0 0.02 0.02) = 0.003% Peak 211 (1.89, 8.96, 124.53 ppm): 36 chemical-shift based assignments, quality = 0.789, support = 3.32, residual support = 22.7: * HB3 GLN 16 - HN LEU 17 2.778% * 41.3274% (0.98 3.72 18.76) = 41.327% kept HG2 GLU- 18 - HN LEU 17 2.778% * 30.8530% (0.98 2.78 33.07) = 30.853% kept HG2 GLU- 18 - HN ILE 19 2.778% * 18.5794% (0.35 4.66 25.23) = 18.579% kept HB3 GLN 16 - HN ILE 19 2.778% * 4.1156% (0.35 1.03 1.50) = 4.116% kept HG2 GLU- 18 - HN THR 96 2.778% * 1.9109% (0.19 0.91 0.02) = 1.911% kept HG2 PRO 112 - HN ILE 19 2.778% * 0.9093% (0.09 0.91 1.03) = 0.909% HD3 PRO 52 - HN LEU 17 2.778% * 0.5850% (0.61 0.09 2.64) = 0.585% HB3 CYS 123 - HN LEU 17 2.778% * 0.1892% (0.83 0.02 0.02) = 0.189% HG3 LYS+ 120 - HN LEU 17 2.778% * 0.1892% (0.83 0.02 0.02) = 0.189% HB3 ARG+ 53 - HN LEU 17 2.778% * 0.1556% (0.69 0.02 0.02) = 0.156% HB2 PRO 112 - HN LEU 17 2.778% * 0.1446% (0.64 0.02 0.02) = 0.145% HB3 ARG+ 84 - HN LEU 17 2.778% * 0.1282% (0.57 0.02 1.76) = 0.128% HB3 GLN 102 - HN LEU 17 2.778% * 0.0931% (0.41 0.02 0.02) = 0.093% HB3 CYS 123 - HN ILE 19 2.778% * 0.0679% (0.30 0.02 0.02) = 0.068% HG3 LYS+ 120 - HN ILE 19 2.778% * 0.0679% (0.30 0.02 0.02) = 0.068% HD3 LYS+ 63 - HN LEU 17 2.778% * 0.0565% (0.25 0.02 0.02) = 0.056% HB3 ARG+ 53 - HN ILE 19 2.778% * 0.0559% (0.25 0.02 0.02) = 0.056% HG2 PRO 112 - HN LEU 17 2.778% * 0.0559% (0.25 0.02 0.02) = 0.056% HB2 PRO 112 - HN ILE 19 2.778% * 0.0519% (0.23 0.02 1.03) = 0.052% HD3 PRO 52 - HN ILE 19 2.778% * 0.0493% (0.22 0.02 0.02) = 0.049% HB3 ARG+ 84 - HN ILE 19 2.778% * 0.0460% (0.20 0.02 0.02) = 0.046% HB3 GLN 16 - HN THR 96 2.778% * 0.0421% (0.19 0.02 0.02) = 0.042% HB3 CYS 123 - HN THR 96 2.778% * 0.0359% (0.16 0.02 0.02) = 0.036% HG3 LYS+ 120 - HN THR 96 2.778% * 0.0359% (0.16 0.02 0.02) = 0.036% HD2 PRO 59 - HN LEU 17 2.778% * 0.0349% (0.15 0.02 0.02) = 0.035% HB3 GLN 102 - HN ILE 19 2.778% * 0.0334% (0.15 0.02 0.02) = 0.033% HB3 ARG+ 53 - HN THR 96 2.778% * 0.0295% (0.13 0.02 0.02) = 0.030% HB2 PRO 112 - HN THR 96 2.778% * 0.0274% (0.12 0.02 0.02) = 0.027% HD3 PRO 52 - HN THR 96 2.778% * 0.0261% (0.11 0.02 0.02) = 0.026% HB3 ARG+ 84 - HN THR 96 2.778% * 0.0243% (0.11 0.02 0.02) = 0.024% HD3 LYS+ 63 - HN ILE 19 2.778% * 0.0203% (0.09 0.02 0.02) = 0.020% HB3 GLN 102 - HN THR 96 2.778% * 0.0177% (0.08 0.02 0.02) = 0.018% HD2 PRO 59 - HN ILE 19 2.778% * 0.0125% (0.06 0.02 0.02) = 0.013% HD3 LYS+ 63 - HN THR 96 2.778% * 0.0107% (0.05 0.02 0.02) = 0.011% HG2 PRO 112 - HN THR 96 2.778% * 0.0106% (0.05 0.02 0.02) = 0.011% HD2 PRO 59 - HN THR 96 2.778% * 0.0066% (0.03 0.02 0.02) = 0.007% Peak 212 (1.34, 8.96, 124.53 ppm): 18 chemical-shift based assignments, quality = 0.443, support = 4.38, residual support = 78.0: * O HB3 LEU 17 - HN LEU 17 5.556% * 85.7031% (0.49 10.0 4.75 88.51) = 85.703% kept HB3 LEU 17 - HN ILE 19 5.556% * 4.3470% (0.17 1.0 2.83 13.76) = 4.347% kept HB3 LYS+ 20 - HN LEU 17 5.556% * 3.6066% (0.31 1.0 1.33 1.09) = 3.607% kept HB3 LYS+ 20 - HN ILE 19 5.556% * 3.1762% (0.11 1.0 3.26 45.32) = 3.176% kept HB2 ARG+ 22 - HN ILE 19 5.556% * 2.3611% (0.19 1.0 1.42 1.47) = 2.361% kept HB2 ARG+ 22 - HN LEU 17 5.556% * 0.4600% (0.53 1.0 0.10 0.02) = 0.460% HG3 LYS+ 81 - HN LEU 17 5.556% * 0.1068% (0.61 1.0 0.02 0.02) = 0.107% QB ALA 11 - HN LEU 17 5.556% * 0.0490% (0.28 1.0 0.02 0.02) = 0.049% QG2 THR 46 - HN LEU 17 5.556% * 0.0392% (0.22 1.0 0.02 0.02) = 0.039% HG3 LYS+ 81 - HN ILE 19 5.556% * 0.0383% (0.22 1.0 0.02 0.02) = 0.038% HG3 LYS+ 81 - HN THR 96 5.556% * 0.0202% (0.11 1.0 0.02 0.02) = 0.020% QB ALA 11 - HN ILE 19 5.556% * 0.0176% (0.10 1.0 0.02 0.02) = 0.018% HB2 ARG+ 22 - HN THR 96 5.556% * 0.0176% (0.10 1.0 0.02 0.02) = 0.018% HB3 LEU 17 - HN THR 96 5.556% * 0.0163% (0.09 1.0 0.02 0.22) = 0.016% QG2 THR 46 - HN ILE 19 5.556% * 0.0141% (0.08 1.0 0.02 0.02) = 0.014% HB3 LYS+ 20 - HN THR 96 5.556% * 0.0103% (0.06 1.0 0.02 1.78) = 0.010% QB ALA 11 - HN THR 96 5.556% * 0.0093% (0.05 1.0 0.02 0.02) = 0.009% QG2 THR 46 - HN THR 96 5.556% * 0.0074% (0.04 1.0 0.02 0.02) = 0.007% Peak 213 (0.90, 8.96, 124.53 ppm): 30 chemical-shift based assignments, quality = 0.688, support = 0.224, residual support = 0.0188: QG2 VAL 87 - HN LEU 17 3.333% * 29.9293% (1.00 0.29 0.02) = 29.929% kept QD1 LEU 67 - HN LEU 17 3.333% * 23.9489% (0.94 0.24 0.02) = 23.949% kept QG1 VAL 47 - HN ILE 19 3.333% * 9.7135% (0.35 0.26 0.02) = 9.713% kept QG2 VAL 125 - HN ILE 19 3.333% * 8.9585% (0.19 0.45 0.02) = 8.959% kept QD1 LEU 67 - HN ILE 19 3.333% * 3.3523% (0.34 0.09 0.02) = 3.352% kept QG2 VAL 87 - HN ILE 19 3.333% * 2.8541% (0.36 0.08 0.02) = 2.854% kept QG2 VAL 40 - HN THR 96 3.333% * 2.3170% (0.19 0.12 0.02) = 2.317% kept QG2 VAL 40 - HN LEU 17 3.333% * 2.0819% (1.00 0.02 0.02) = 2.082% kept QG1 VAL 47 - HN LEU 17 3.333% * 2.0452% (0.98 0.02 0.02) = 2.045% kept HG3 LYS+ 110 - HN LEU 17 3.333% * 1.9907% (0.22 0.09 0.02) = 1.991% kept QD1 LEU 67 - HN THR 96 3.333% * 1.9058% (0.18 0.10 0.02) = 1.906% kept HG3 LYS+ 117 - HN LEU 17 3.333% * 1.8713% (0.90 0.02 0.02) = 1.871% kept QG1 VAL 80 - HN LEU 17 3.333% * 1.8099% (0.87 0.02 0.02) = 1.810% kept QG2 VAL 125 - HN LEU 17 3.333% * 1.0978% (0.53 0.02 0.02) = 1.098% kept QG2 VAL 40 - HN ILE 19 3.333% * 0.7474% (0.36 0.02 0.02) = 0.747% HG3 LYS+ 110 - HN ILE 19 3.333% * 0.7147% (0.08 0.09 0.02) = 0.715% HG3 LYS+ 117 - HN ILE 19 3.333% * 0.6718% (0.32 0.02 0.02) = 0.672% QG1 VAL 80 - HN ILE 19 3.333% * 0.6498% (0.31 0.02 0.02) = 0.650% QG2 VAL 80 - HN LEU 17 3.333% * 0.6440% (0.31 0.02 0.02) = 0.644% QG2 VAL 87 - HN THR 96 3.333% * 0.3948% (0.19 0.02 0.02) = 0.395% QG1 VAL 47 - HN THR 96 3.333% * 0.3878% (0.19 0.02 0.02) = 0.388% HG12 ILE 68 - HN LEU 17 3.333% * 0.3654% (0.17 0.02 0.02) = 0.365% HG3 LYS+ 117 - HN THR 96 3.333% * 0.3548% (0.17 0.02 0.02) = 0.355% QG1 VAL 80 - HN THR 96 3.333% * 0.3432% (0.16 0.02 0.02) = 0.343% QG2 VAL 80 - HN ILE 19 3.333% * 0.2312% (0.11 0.02 0.02) = 0.231% QG2 VAL 125 - HN THR 96 3.333% * 0.2082% (0.10 0.02 0.02) = 0.208% HG12 ILE 68 - HN ILE 19 3.333% * 0.1312% (0.06 0.02 0.02) = 0.131% QG2 VAL 80 - HN THR 96 3.333% * 0.1221% (0.06 0.02 0.02) = 0.122% HG3 LYS+ 110 - HN THR 96 3.333% * 0.0881% (0.04 0.02 0.02) = 0.088% HG12 ILE 68 - HN THR 96 3.333% * 0.0693% (0.03 0.02 0.02) = 0.069% Reference assignment not found: QD1 LEU 17 - HN LEU 17 Not enough support, support cutoff is 0.27 Peak unassigned. Peak 214 (1.57, 8.96, 124.53 ppm): 33 chemical-shift based assignments, quality = 0.594, support = 4.66, residual support = 68.6: O HB ILE 19 - HN ILE 19 3.030% * 41.1997% (0.34 10.0 6.19 96.68) = 41.200% kept * HG LEU 17 - HN LEU 17 3.030% * 29.2875% (0.92 1.0 5.23 88.51) = 29.287% kept HB ILE 19 - HN LEU 17 3.030% * 14.0233% (0.94 1.0 2.44 13.76) = 14.023% kept HG LEU 17 - HN ILE 19 3.030% * 5.4773% (0.33 1.0 2.72 13.76) = 5.477% kept HB3 LYS+ 32 - HN LEU 17 3.030% * 3.1249% (0.69 1.0 0.75 0.59) = 3.125% kept HB ILE 19 - HN THR 96 3.030% * 1.9141% (0.18 1.0 1.76 5.73) = 1.914% kept HB3 LYS+ 32 - HN ILE 19 3.030% * 1.5789% (0.25 1.0 1.06 0.49) = 1.579% kept HD3 LYS+ 60 - HN ILE 19 3.030% * 1.5786% (0.31 1.0 0.84 0.42) = 1.579% kept HD3 LYS+ 60 - HN THR 96 3.030% * 0.5790% (0.16 1.0 0.58 0.02) = 0.579% QB ALA 42 - HN THR 96 3.030% * 0.5214% (0.10 1.0 0.86 0.02) = 0.521% HD3 LYS+ 60 - HN LEU 17 3.030% * 0.1052% (0.87 1.0 0.02 0.02) = 0.105% HD3 LYS+ 81 - HN LEU 17 3.030% * 0.0971% (0.80 1.0 0.02 0.02) = 0.097% QB ALA 42 - HN LEU 17 3.030% * 0.0638% (0.53 1.0 0.02 0.02) = 0.064% HG12 ILE 29 - HN LEU 17 3.030% * 0.0638% (0.53 1.0 0.02 17.13) = 0.064% HB3 LEU 90 - HN LEU 17 3.030% * 0.0544% (0.45 1.0 0.02 0.17) = 0.054% HG13 ILE 29 - HN LEU 17 3.030% * 0.0414% (0.34 1.0 0.02 17.13) = 0.041% HD3 LYS+ 81 - HN ILE 19 3.030% * 0.0349% (0.29 1.0 0.02 0.02) = 0.035% QG2 THR 24 - HN LEU 17 3.030% * 0.0302% (0.25 1.0 0.02 0.02) = 0.030% HD3 LYS+ 32 - HN LEU 17 3.030% * 0.0270% (0.22 1.0 0.02 0.59) = 0.027% QB ALA 42 - HN ILE 19 3.030% * 0.0229% (0.19 1.0 0.02 0.02) = 0.023% HG12 ILE 29 - HN ILE 19 3.030% * 0.0229% (0.19 1.0 0.02 0.02) = 0.023% HG LEU 17 - HN THR 96 3.030% * 0.0212% (0.17 1.0 0.02 0.22) = 0.021% HB3 LEU 90 - HN ILE 19 3.030% * 0.0195% (0.16 1.0 0.02 0.29) = 0.020% HD3 LYS+ 81 - HN THR 96 3.030% * 0.0184% (0.15 1.0 0.02 0.02) = 0.018% HB3 LYS+ 32 - HN THR 96 3.030% * 0.0158% (0.13 1.0 0.02 0.02) = 0.016% HG13 ILE 29 - HN ILE 19 3.030% * 0.0149% (0.12 1.0 0.02 0.02) = 0.015% HG12 ILE 29 - HN THR 96 3.030% * 0.0121% (0.10 1.0 0.02 0.02) = 0.012% QG2 THR 24 - HN ILE 19 3.030% * 0.0109% (0.09 1.0 0.02 0.02) = 0.011% HB3 LEU 90 - HN THR 96 3.030% * 0.0103% (0.08 1.0 0.02 0.02) = 0.010% HD3 LYS+ 32 - HN ILE 19 3.030% * 0.0097% (0.08 1.0 0.02 0.49) = 0.010% HG13 ILE 29 - HN THR 96 3.030% * 0.0078% (0.06 1.0 0.02 0.02) = 0.008% QG2 THR 24 - HN THR 96 3.030% * 0.0057% (0.05 1.0 0.02 0.02) = 0.006% HD3 LYS+ 32 - HN THR 96 3.030% * 0.0051% (0.04 1.0 0.02 0.02) = 0.005% Peak 215 (0.93, 8.58, 124.50 ppm): 13 chemical-shift based assignments, quality = 0.616, support = 2.1, residual support = 12.9: * QG2 VAL 73 - HN VAL 73 7.692% * 50.2996% (0.48 3.79 25.01) = 50.300% kept HG12 ILE 68 - HN VAL 73 7.692% * 14.5195% (0.98 0.54 1.95) = 14.519% kept QG2 VAL 80 - HN VAL 73 7.692% * 8.5382% (0.86 0.36 0.58) = 8.538% kept QG2 VAL 62 - HN VAL 73 7.692% * 8.0781% (0.60 0.49 0.02) = 8.078% kept QG2 VAL 105 - HN VAL 73 7.692% * 5.1071% (0.96 0.19 0.02) = 5.107% kept QG1 VAL 105 - HN VAL 73 7.692% * 4.5068% (0.92 0.18 0.02) = 4.507% kept QD1 LEU 67 - HN VAL 73 7.692% * 3.2270% (0.22 0.53 0.02) = 3.227% kept HG3 LYS+ 117 - HN VAL 73 7.692% * 3.0789% (0.28 0.41 0.14) = 3.079% kept QG1 VAL 47 - HN VAL 73 7.692% * 1.2834% (0.17 0.27 0.02) = 1.283% kept HG3 LYS+ 110 - HN VAL 73 7.692% * 0.5163% (0.94 0.02 0.02) = 0.516% QD1 LEU 17 - HN VAL 73 7.692% * 0.5163% (0.94 0.02 0.02) = 0.516% QG2 ILE 29 - HN VAL 73 7.692% * 0.2447% (0.45 0.02 0.02) = 0.245% QG2 VAL 99 - HN VAL 73 7.692% * 0.0842% (0.15 0.02 0.02) = 0.084% Peak 216 (4.57, 8.58, 124.50 ppm): 4 chemical-shift based assignments, quality = 0.642, support = 4.24, residual support = 14.9: * O HA LYS+ 72 - HN VAL 73 25.000% * 99.7697% (0.64 10.0 4.25 14.89) = 99.770% kept HA LYS+ 78 - HN VAL 73 25.000% * 0.1539% (0.99 1.0 0.02 0.02) = 0.154% HA LEU 17 - HN VAL 73 25.000% * 0.0526% (0.34 1.0 0.02 0.02) = 0.053% HA ASP- 25 - HN VAL 73 25.000% * 0.0238% (0.15 1.0 0.02 0.02) = 0.024% Peak 217 (8.58, 8.58, 124.50 ppm): 1 diagonal assignment: * HN VAL 73 - HN VAL 73 (0.99) kept Peak 218 (1.95, 8.58, 124.50 ppm): 14 chemical-shift based assignments, quality = 0.266, support = 2.93, residual support = 23.0: * O HB VAL 73 - HN VAL 73 7.143% * 91.8413% (0.25 10.0 3.18 25.01) = 91.841% kept HG3 PRO 116 - HN VAL 73 7.143% * 2.2263% (0.80 1.0 0.15 0.02) = 2.226% kept HB2 PRO 116 - HN VAL 73 7.143% * 2.0189% (0.72 1.0 0.15 0.02) = 2.019% kept HG2 PRO 112 - HN VAL 73 7.143% * 1.4257% (0.38 1.0 0.20 0.41) = 1.426% kept HB3 LYS+ 55 - HN VAL 73 7.143% * 0.3675% (0.99 1.0 0.02 0.02) = 0.368% HG3 PRO 31 - HN VAL 73 7.143% * 0.3651% (0.99 1.0 0.02 0.02) = 0.365% HB2 GLU- 75 - HN VAL 73 7.143% * 0.3555% (0.96 1.0 0.02 0.02) = 0.355% HB2 PRO 35 - HN VAL 73 7.143% * 0.3195% (0.86 1.0 0.02 0.02) = 0.319% HB VAL 13 - HN VAL 73 7.143% * 0.2815% (0.76 1.0 0.02 0.02) = 0.281% HB2 GLU- 10 - HN VAL 73 7.143% * 0.2675% (0.72 1.0 0.02 0.02) = 0.267% HB3 GLU- 109 - HN VAL 73 7.143% * 0.2383% (0.64 1.0 0.02 0.02) = 0.238% HB ILE 29 - HN VAL 73 7.143% * 0.1382% (0.37 1.0 0.02 0.02) = 0.138% HB2 LEU 23 - HN VAL 73 7.143% * 0.0820% (0.22 1.0 0.02 0.02) = 0.082% HG3 PRO 104 - HN VAL 73 7.143% * 0.0729% (0.20 1.0 0.02 0.02) = 0.073% Peak 219 (1.82, 8.58, 124.50 ppm): 11 chemical-shift based assignments, quality = 0.728, support = 3.43, residual support = 13.0: HD3 LYS+ 72 - HN VAL 73 9.091% * 69.1828% (0.86 3.66 14.89) = 69.183% kept * HB3 LYS+ 72 - HN VAL 73 9.091% * 18.0666% (0.17 4.73 14.89) = 18.067% kept HD3 LYS+ 117 - HN VAL 73 9.091% * 10.2062% (0.98 0.48 0.14) = 10.206% kept HB3 LYS+ 60 - HN VAL 73 9.091% * 0.9735% (0.20 0.23 0.02) = 0.973% HG3 LYS+ 108 - HN VAL 73 9.091% * 0.4210% (0.96 0.02 0.02) = 0.421% HB2 PRO 59 - HN VAL 73 9.091% * 0.3643% (0.83 0.02 0.02) = 0.364% HB2 GLU- 109 - HN VAL 73 9.091% * 0.3334% (0.76 0.02 0.02) = 0.333% HB2 LYS+ 66 - HN VAL 73 9.091% * 0.2123% (0.48 0.02 0.02) = 0.212% HB3 LYS+ 63 - HN VAL 73 9.091% * 0.0863% (0.20 0.02 0.02) = 0.086% HB3 LYS+ 108 - HN VAL 73 9.091% * 0.0863% (0.20 0.02 0.02) = 0.086% HB2 PRO 104 - HN VAL 73 9.091% * 0.0673% (0.15 0.02 0.02) = 0.067% Peak 220 (4.17, 8.58, 124.50 ppm): 7 chemical-shift based assignments, quality = 0.765, support = 3.77, residual support = 23.9: * O HA VAL 73 - HN VAL 73 14.286% * 95.7196% (0.76 10.0 3.92 25.01) = 95.720% kept HB THR 106 - HN VAL 73 14.286% * 1.9836% (0.94 1.0 0.33 0.11) = 1.984% kept HA VAL 105 - HN VAL 73 14.286% * 1.9836% (0.94 1.0 0.33 0.02) = 1.984% kept HB3 SER 49 - HN VAL 73 14.286% * 0.1199% (0.95 1.0 0.02 0.02) = 0.120% HA VAL 65 - HN VAL 73 14.286% * 0.0860% (0.68 1.0 0.02 0.02) = 0.086% HA VAL 87 - HN VAL 73 14.286% * 0.0760% (0.60 1.0 0.02 0.02) = 0.076% HB2 SER 88 - HN VAL 73 14.286% * 0.0312% (0.25 1.0 0.02 0.02) = 0.031% Peak 221 (1.53, 8.58, 124.50 ppm): 5 chemical-shift based assignments, quality = 0.468, support = 4.0, residual support = 14.8: * HG3 LYS+ 72 - HN VAL 73 20.000% * 52.7026% (0.52 3.77 14.89) = 52.703% kept HB2 LYS+ 72 - HN VAL 73 20.000% * 46.8805% (0.41 4.29 14.89) = 46.881% kept HD3 LYS+ 108 - HN VAL 73 20.000% * 0.1640% (0.31 0.02 0.02) = 0.164% QG2 THR 24 - HN VAL 73 20.000% * 0.1477% (0.28 0.02 0.02) = 0.148% HG13 ILE 29 - HN VAL 73 20.000% * 0.1052% (0.20 0.02 0.02) = 0.105% Peak 222 (4.72, 8.58, 124.50 ppm): 6 chemical-shift based assignments, quality = 0.852, support = 0.211, residual support = 0.122: HA THR 39 - HN VAL 73 16.667% * 64.2058% (0.89 0.29 0.18) = 64.206% kept HA THR 61 - HN VAL 73 16.667% * 20.9938% (0.76 0.11 0.02) = 20.994% kept HA LYS+ 20 - HN VAL 73 16.667% * 4.8666% (0.98 0.02 0.02) = 4.867% kept HA2 GLY 30 - HN VAL 73 16.667% * 4.6966% (0.94 0.02 0.02) = 4.697% kept HA VAL 99 - HN VAL 73 16.667% * 3.0113% (0.60 0.02 0.02) = 3.011% kept HA GLN 16 - HN VAL 73 16.667% * 2.2259% (0.45 0.02 0.02) = 2.226% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 225 (8.73, 8.74, 124.39 ppm): 1 diagonal assignment: * HN GLU- 56 - HN GLU- 56 (0.87) kept Peak 226 (4.51, 8.74, 124.39 ppm): 7 chemical-shift based assignments, quality = 0.995, support = 3.6, residual support = 16.7: * O HA LYS+ 55 - HN GLU- 56 14.286% * 99.6737% (1.00 10.0 3.61 16.74) = 99.674% kept HB THR 79 - HN GLU- 56 14.286% * 0.0894% (0.90 1.0 0.02 0.02) = 0.089% HB THR 46 - HN GLU- 56 14.286% * 0.0865% (0.87 1.0 0.02 0.02) = 0.086% HA CYS 123 - HN GLU- 56 14.286% * 0.0564% (0.57 1.0 0.02 0.02) = 0.056% HA SER 77 - HN GLU- 56 14.286% * 0.0564% (0.57 1.0 0.02 0.02) = 0.056% HA ALA 103 - HN GLU- 56 14.286% * 0.0222% (0.22 1.0 0.02 0.02) = 0.022% HA LYS+ 32 - HN GLU- 56 14.286% * 0.0154% (0.15 1.0 0.02 0.02) = 0.015% Peak 227 (1.96, 8.74, 124.39 ppm): 15 chemical-shift based assignments, quality = 0.599, support = 3.97, residual support = 25.8: * O HB3 GLU- 56 - HN GLU- 56 6.667% * 79.3587% (0.61 10.0 4.14 29.00) = 79.359% kept HB3 LYS+ 55 - HN GLU- 56 6.667% * 16.7351% (0.65 1.0 3.95 16.74) = 16.735% kept HG2 PRO 112 - HN GLU- 56 6.667% * 2.4407% (0.43 1.0 0.88 0.14) = 2.441% kept HG3 PRO 116 - HN GLU- 56 6.667% * 0.6048% (0.94 1.0 0.10 0.02) = 0.605% HB3 GLU- 109 - HN GLU- 56 6.667% * 0.1305% (1.00 1.0 0.02 0.02) = 0.131% HB VAL 13 - HN GLU- 56 6.667% * 0.1263% (0.96 1.0 0.02 0.02) = 0.126% HB2 PRO 35 - HN GLU- 56 6.667% * 0.1173% (0.90 1.0 0.02 0.02) = 0.117% HB VAL 73 - HN GLU- 56 6.667% * 0.1048% (0.80 1.0 0.02 0.02) = 0.105% HG3 PRO 104 - HN GLU- 56 6.667% * 0.0950% (0.73 1.0 0.02 0.02) = 0.095% HG3 PRO 31 - HN GLU- 56 6.667% * 0.0899% (0.69 1.0 0.02 0.02) = 0.090% HB2 GLU- 75 - HN GLU- 56 6.667% * 0.0587% (0.45 1.0 0.02 0.02) = 0.059% HB2 PRO 86 - HN GLU- 56 6.667% * 0.0538% (0.41 1.0 0.02 0.02) = 0.054% HB2 LYS+ 108 - HN GLU- 56 6.667% * 0.0326% (0.25 1.0 0.02 0.02) = 0.033% HB2 GLU- 10 - HN GLU- 56 6.667% * 0.0259% (0.20 1.0 0.02 0.02) = 0.026% HB2 PRO 116 - HN GLU- 56 6.667% * 0.0259% (0.20 1.0 0.02 0.02) = 0.026% Peak 228 (2.32, 8.74, 124.39 ppm): 6 chemical-shift based assignments, quality = 0.576, support = 2.96, residual support = 18.9: * HG3 GLU- 56 - HN GLU- 56 16.667% * 64.9118% (0.45 4.18 29.00) = 64.912% kept HG2 PRO 112 - HN GLU- 56 16.667% * 26.6144% (0.88 0.88 0.14) = 26.614% kept HB3 PRO 86 - HN GLU- 56 16.667% * 3.5422% (1.00 0.10 0.02) = 3.542% kept HG2 GLU- 64 - HN GLU- 56 16.667% * 3.1369% (0.41 0.22 0.02) = 3.137% kept HB3 PRO 116 - HN GLU- 56 16.667% * 1.1550% (0.34 0.10 0.02) = 1.155% kept HB2 TYR 83 - HN GLU- 56 16.667% * 0.6397% (0.92 0.02 0.02) = 0.640% Peak 229 (2.11, 8.74, 124.39 ppm): 13 chemical-shift based assignments, quality = 0.913, support = 4.08, residual support = 27.7: * O HB2 GLU- 56 - HN GLU- 56 7.692% * 95.4320% (0.92 10.0 4.24 29.00) = 95.432% kept HG2 PRO 112 - HN GLU- 56 7.692% * 3.8864% (0.86 1.0 0.88 0.14) = 3.886% kept HB3 LEU 43 - HN GLU- 56 7.692% * 0.1032% (1.00 1.0 0.02 0.02) = 0.103% HB3 GLU- 75 - HN GLU- 56 7.692% * 0.0995% (0.96 1.0 0.02 0.02) = 0.099% HB VAL 87 - HN GLU- 56 7.692% * 0.0978% (0.94 1.0 0.02 0.02) = 0.098% HB VAL 105 - HN GLU- 56 7.692% * 0.0751% (0.73 1.0 0.02 0.02) = 0.075% HB VAL 65 - HN GLU- 56 7.692% * 0.0751% (0.73 1.0 0.02 0.02) = 0.075% HB2 MET 118 - HN GLU- 56 7.692% * 0.0544% (0.53 1.0 0.02 0.02) = 0.054% HG2 GLU- 45 - HN GLU- 56 7.692% * 0.0544% (0.53 1.0 0.02 0.02) = 0.054% HB VAL 125 - HN GLU- 56 7.692% * 0.0388% (0.37 1.0 0.02 0.02) = 0.039% HB2 LYS+ 110 - HN GLU- 56 7.692% * 0.0319% (0.31 1.0 0.02 0.02) = 0.032% HD3 LYS+ 110 - HN GLU- 56 7.692% * 0.0258% (0.25 1.0 0.02 0.02) = 0.026% HB2 ASP- 28 - HN GLU- 56 7.692% * 0.0258% (0.25 1.0 0.02 0.02) = 0.026% Peak 230 (4.25, 8.74, 124.39 ppm): 21 chemical-shift based assignments, quality = 0.674, support = 4.28, residual support = 25.8: * O HA GLU- 56 - HN GLU- 56 4.762% * 89.0685% (0.69 10.0 4.66 29.00) = 89.068% kept HA GLU- 54 - HN GLU- 56 4.762% * 6.5712% (0.57 1.0 1.79 0.10) = 6.571% kept HA PRO 59 - HN GLU- 56 4.762% * 1.9578% (0.83 1.0 0.36 0.02) = 1.958% kept HA GLU- 64 - HN GLU- 56 4.762% * 1.1926% (0.83 1.0 0.22 0.02) = 1.193% kept HA ASN 119 - HN GLU- 56 4.762% * 0.1297% (1.00 1.0 0.02 0.02) = 0.130% HA GLU- 107 - HN GLU- 56 4.762% * 0.1297% (1.00 1.0 0.02 0.02) = 0.130% HA ASN 76 - HN GLU- 56 4.762% * 0.1294% (1.00 1.0 0.02 0.02) = 0.129% HA ALA 11 - HN GLU- 56 4.762% * 0.1271% (0.98 1.0 0.02 0.02) = 0.127% HA GLU- 75 - HN GLU- 56 4.762% * 0.1125% (0.87 1.0 0.02 0.02) = 0.112% HA LYS+ 108 - HN GLU- 56 4.762% * 0.0734% (0.57 1.0 0.02 0.02) = 0.073% HA GLU- 10 - HN GLU- 56 4.762% * 0.0734% (0.57 1.0 0.02 0.02) = 0.073% HA SER 85 - HN GLU- 56 4.762% * 0.0581% (0.45 1.0 0.02 0.02) = 0.058% HA ARG+ 84 - HN GLU- 56 4.762% * 0.0581% (0.45 1.0 0.02 0.02) = 0.058% HA PRO 52 - HN GLU- 56 4.762% * 0.0581% (0.45 1.0 0.02 0.02) = 0.058% HA VAL 94 - HN GLU- 56 4.762% * 0.0533% (0.41 1.0 0.02 1.53) = 0.053% HA ALA 42 - HN GLU- 56 4.762% * 0.0487% (0.37 1.0 0.02 0.02) = 0.049% HA SER 49 - HN GLU- 56 4.762% * 0.0400% (0.31 1.0 0.02 0.02) = 0.040% HB3 SER 49 - HN GLU- 56 4.762% * 0.0378% (0.29 1.0 0.02 0.02) = 0.038% HA VAL 122 - HN GLU- 56 4.762% * 0.0323% (0.25 1.0 0.02 0.02) = 0.032% HA LEU 90 - HN GLU- 56 4.762% * 0.0257% (0.20 1.0 0.02 0.02) = 0.026% HA GLU- 109 - HN GLU- 56 4.762% * 0.0227% (0.17 1.0 0.02 0.02) = 0.023% Peak 231 (7.81, 8.74, 124.39 ppm): 5 chemical-shift based assignments, quality = 0.897, support = 3.47, residual support = 13.2: * T HN LYS+ 55 - HN GLU- 56 20.000% * 78.2589% (0.99 10.00 4.17 16.74) = 78.259% kept T HN LYS+ 63 - HN GLU- 56 20.000% * 21.6435% (0.57 10.00 0.97 0.36) = 21.644% kept HN ALA 93 - HN GLU- 56 20.000% * 0.0603% (0.76 1.00 0.02 0.02) = 0.060% HN VAL 87 - HN GLU- 56 20.000% * 0.0197% (0.25 1.00 0.02 0.02) = 0.020% HN THR 46 - HN GLU- 56 20.000% * 0.0176% (0.22 1.00 0.02 0.02) = 0.018% Peak 232 (1.31, 8.74, 124.39 ppm): 6 chemical-shift based assignments, quality = 0.674, support = 3.09, residual support = 13.3: HB2 LYS+ 55 - HN GLU- 56 16.667% * 78.4950% (0.73 3.72 16.74) = 78.495% kept HG13 ILE 101 - HN GLU- 56 16.667% * 10.2058% (0.28 1.26 1.14) = 10.206% kept QG2 THR 46 - HN GLU- 56 16.667% * 9.3014% (0.76 0.42 0.02) = 9.301% kept HB2 ARG+ 22 - HN GLU- 56 16.667% * 1.3184% (0.41 0.11 0.02) = 1.318% kept QB ALA 103 - HN GLU- 56 16.667% * 0.5500% (0.94 0.02 0.02) = 0.550% HG2 LYS+ 81 - HN GLU- 56 16.667% * 0.1294% (0.22 0.02 0.02) = 0.129% Peak 233 (1.54, 7.73, 124.20 ppm): 9 chemical-shift based assignments, quality = 0.682, support = 3.6, residual support = 18.8: * O QB ALA 42 - HN ALA 42 11.111% * 99.3428% (0.69 10.0 3.63 18.89) = 99.343% kept QG2 THR 24 - HN ALA 42 11.111% * 0.1368% (0.94 1.0 0.02 0.02) = 0.137% HG13 ILE 29 - HN ALA 42 11.111% * 0.1255% (0.87 1.0 0.02 0.02) = 0.125% HB3 LEU 90 - HN ALA 42 11.111% * 0.1105% (0.76 1.0 0.02 0.02) = 0.111% HG12 ILE 29 - HN ALA 42 11.111% * 0.0993% (0.69 1.0 0.02 0.02) = 0.099% HD3 LYS+ 81 - HN ALA 42 11.111% * 0.0595% (0.41 1.0 0.02 0.02) = 0.059% HD3 LYS+ 60 - HN ALA 42 11.111% * 0.0493% (0.34 1.0 0.02 0.02) = 0.049% HG LEU 17 - HN ALA 42 11.111% * 0.0402% (0.28 1.0 0.02 0.02) = 0.040% HB ILE 19 - HN ALA 42 11.111% * 0.0361% (0.25 1.0 0.02 0.02) = 0.036% Peak 234 (7.72, 7.73, 124.20 ppm): 1 diagonal assignment: * HN ALA 42 - HN ALA 42 (0.92) kept Peak 235 (3.81, 7.73, 124.20 ppm): 5 chemical-shift based assignments, quality = 0.975, support = 1.65, residual support = 9.89: * HB3 SER 41 - HN ALA 42 20.000% * 96.6120% (1.00 1.71 10.23) = 96.612% kept HD3 PRO 112 - HN ALA 42 20.000% * 1.0687% (0.94 0.02 0.02) = 1.069% kept HD3 PRO 86 - HN ALA 42 20.000% * 0.9046% (0.80 0.02 0.02) = 0.905% HD3 PRO 116 - HN ALA 42 20.000% * 0.8203% (0.73 0.02 0.02) = 0.820% HA2 GLY 92 - HN ALA 42 20.000% * 0.5944% (0.53 0.02 0.02) = 0.594% Peak 236 (4.22, 7.73, 124.20 ppm): 10 chemical-shift based assignments, quality = 0.73, support = 3.13, residual support = 18.1: * O HA ALA 42 - HN ALA 42 10.000% * 95.8468% (0.73 10.0 3.24 18.89) = 95.847% kept HA GLU- 12 - HN ALA 42 10.000% * 3.5240% (0.98 1.0 0.54 0.02) = 3.524% kept HA GLU- 109 - HN ALA 42 10.000% * 0.1249% (0.94 1.0 0.02 0.02) = 0.125% HA SER 49 - HN ALA 42 10.000% * 0.1057% (0.80 1.0 0.02 0.02) = 0.106% HA ASP- 82 - HN ALA 42 10.000% * 0.0801% (0.61 1.0 0.02 0.02) = 0.080% HB3 SER 49 - HN ALA 42 10.000% * 0.0735% (0.56 1.0 0.02 0.02) = 0.074% HA LYS+ 108 - HN ALA 42 10.000% * 0.0694% (0.53 1.0 0.02 0.02) = 0.069% HA GLU- 10 - HN ALA 42 10.000% * 0.0694% (0.53 1.0 0.02 0.02) = 0.069% HA GLU- 54 - HN ALA 42 10.000% * 0.0694% (0.53 1.0 0.02 0.02) = 0.069% HA PRO 59 - HN ALA 42 10.000% * 0.0367% (0.28 1.0 0.02 0.02) = 0.037% Peak 237 (8.16, 7.73, 124.20 ppm): 4 chemical-shift based assignments, quality = 0.993, support = 2.73, residual support = 10.2: * T HN SER 41 - HN ALA 42 25.000% * 99.6516% (1.00 10.00 2.74 10.23) = 99.652% kept HN SER 77 - HN ALA 42 25.000% * 0.2443% (0.65 1.00 0.08 0.02) = 0.244% HN GLN 16 - HN ALA 42 25.000% * 0.0866% (0.87 1.00 0.02 0.02) = 0.087% HN ALA 33 - HN ALA 42 25.000% * 0.0175% (0.17 1.00 0.02 0.02) = 0.017% Peak 238 (1.38, 7.73, 124.20 ppm): 12 chemical-shift based assignments, quality = 0.825, support = 1.66, residual support = 6.31: * QG2 THR 39 - HN ALA 42 8.333% * 70.7156% (0.94 2.21 8.92) = 70.716% kept HG2 LYS+ 78 - HN ALA 42 8.333% * 11.6531% (0.80 0.43 0.02) = 11.653% kept QB ALA 11 - HN ALA 42 8.333% * 5.8344% (0.49 0.35 0.02) = 5.834% kept HB3 LYS+ 20 - HN ALA 42 8.333% * 5.3590% (0.45 0.35 0.02) = 5.359% kept HB3 LEU 17 - HN ALA 42 8.333% * 3.1177% (0.28 0.33 0.02) = 3.118% kept QB ALA 37 - HN ALA 42 8.333% * 1.1786% (0.22 0.16 0.02) = 1.179% kept HG13 ILE 68 - HN ALA 42 8.333% * 0.6778% (1.00 0.02 0.02) = 0.678% HD3 LYS+ 20 - HN ALA 42 8.333% * 0.5180% (0.76 0.02 0.02) = 0.518% QB ALA 93 - HN ALA 42 8.333% * 0.2787% (0.41 0.02 0.02) = 0.279% HG13 ILE 100 - HN ALA 42 8.333% * 0.2787% (0.41 0.02 0.02) = 0.279% HG LEU 67 - HN ALA 42 8.333% * 0.2544% (0.37 0.02 0.02) = 0.254% HG3 LYS+ 81 - HN ALA 42 8.333% * 0.1341% (0.20 0.02 0.02) = 0.134% Peak 239 (7.97, 7.73, 124.20 ppm): 3 chemical-shift based assignments, quality = 0.793, support = 4.82, residual support = 21.5: * T HN LEU 43 - HN ALA 42 33.333% * 99.1652% (0.80 10.00 4.86 21.64) = 99.165% kept HN MET 126 - HN ALA 42 33.333% * 0.7793% (0.20 1.00 0.64 0.02) = 0.779% HN LYS+ 72 - HN ALA 42 33.333% * 0.0555% (0.45 1.00 0.02 0.02) = 0.056% Peak 240 (8.58, 7.73, 124.20 ppm): 4 chemical-shift based assignments, quality = 0.979, support = 2.15, residual support = 8.82: * T HN THR 39 - HN ALA 42 25.000% * 98.8872% (0.99 10.00 2.17 8.92) = 98.887% kept HN LYS+ 20 - HN ALA 42 25.000% * 0.9154% (0.49 1.00 0.38 0.02) = 0.915% HN VAL 80 - HN ALA 42 25.000% * 0.0995% (1.00 1.00 0.02 0.02) = 0.100% HN VAL 73 - HN ALA 42 25.000% * 0.0978% (0.98 1.00 0.02 0.02) = 0.098% Peak 241 (8.46, 8.46, 124.23 ppm): 2 diagonal assignments: * HN GLU- 107 - HN GLU- 107 (0.80) kept HN GLU- 18 - HN GLU- 18 (0.05) kept Peak 242 (4.29, 8.46, 124.23 ppm): 45 chemical-shift based assignments, quality = 0.909, support = 2.28, residual support = 6.64: * O HA THR 106 - HN GLU- 107 2.222% * 98.6908% (0.92 10.0 2.31 6.73) = 98.691% kept HA CYS 121 - HN GLU- 107 2.222% * 0.0980% (0.91 1.0 0.02 0.02) = 0.098% HB3 CYS 121 - HN GLU- 107 2.222% * 0.0980% (0.91 1.0 0.02 0.02) = 0.098% HA LEU 90 - HN GLU- 107 2.222% * 0.0887% (0.83 1.0 0.02 0.02) = 0.089% HA ASP- 36 - HN GLU- 107 2.222% * 0.0858% (0.80 1.0 0.02 0.02) = 0.086% HA VAL 122 - HN GLU- 107 2.222% * 0.0826% (0.77 1.0 0.02 0.02) = 0.083% HA VAL 94 - HN GLU- 107 2.222% * 0.0640% (0.60 1.0 0.02 0.02) = 0.064% HA ARG+ 84 - HN GLU- 107 2.222% * 0.0600% (0.56 1.0 0.02 0.02) = 0.060% HA PRO 52 - HN GLU- 107 2.222% * 0.0600% (0.56 1.0 0.02 0.02) = 0.060% HA SER 85 - HN GLU- 107 2.222% * 0.0600% (0.56 1.0 0.02 0.02) = 0.060% HA ILE 29 - HN GLU- 107 2.222% * 0.0371% (0.35 1.0 0.02 0.02) = 0.037% HA GLU- 56 - HN GLU- 107 2.222% * 0.0371% (0.35 1.0 0.02 0.02) = 0.037% HA THR 106 - HN GLU- 10 2.222% * 0.0256% (0.24 1.0 0.02 0.02) = 0.026% HA CYS 121 - HN GLU- 10 2.222% * 0.0254% (0.24 1.0 0.02 0.02) = 0.025% HB3 CYS 121 - HN GLU- 10 2.222% * 0.0254% (0.24 1.0 0.02 0.02) = 0.025% HA GLU- 64 - HN GLU- 107 2.222% * 0.0247% (0.23 1.0 0.02 0.02) = 0.025% HA THR 106 - HN GLU- 18 2.222% * 0.0237% (0.22 1.0 0.02 0.02) = 0.024% HA CYS 121 - HN GLU- 18 2.222% * 0.0235% (0.22 1.0 0.02 0.22) = 0.024% HB3 CYS 121 - HN GLU- 18 2.222% * 0.0235% (0.22 1.0 0.02 0.22) = 0.024% HA LEU 90 - HN GLU- 10 2.222% * 0.0230% (0.21 1.0 0.02 0.02) = 0.023% HA ASP- 36 - HN GLU- 10 2.222% * 0.0223% (0.21 1.0 0.02 0.02) = 0.022% HA ALA 93 - HN GLU- 107 2.222% * 0.0220% (0.21 1.0 0.02 0.02) = 0.022% HA GLU- 75 - HN GLU- 107 2.222% * 0.0220% (0.21 1.0 0.02 0.02) = 0.022% HA VAL 122 - HN GLU- 10 2.222% * 0.0214% (0.20 1.0 0.02 0.02) = 0.021% HA LEU 90 - HN GLU- 18 2.222% * 0.0213% (0.20 1.0 0.02 0.02) = 0.021% HA ASP- 36 - HN GLU- 18 2.222% * 0.0206% (0.19 1.0 0.02 0.02) = 0.021% HA VAL 122 - HN GLU- 18 2.222% * 0.0198% (0.19 1.0 0.02 0.02) = 0.020% HA VAL 94 - HN GLU- 10 2.222% * 0.0166% (0.15 1.0 0.02 0.02) = 0.017% HA ARG+ 84 - HN GLU- 10 2.222% * 0.0156% (0.15 1.0 0.02 0.02) = 0.016% HA SER 85 - HN GLU- 10 2.222% * 0.0156% (0.15 1.0 0.02 0.02) = 0.016% HA PRO 52 - HN GLU- 10 2.222% * 0.0156% (0.15 1.0 0.02 0.02) = 0.016% HA VAL 94 - HN GLU- 18 2.222% * 0.0154% (0.14 1.0 0.02 3.64) = 0.015% HA ARG+ 84 - HN GLU- 18 2.222% * 0.0144% (0.13 1.0 0.02 3.05) = 0.014% HA PRO 52 - HN GLU- 18 2.222% * 0.0144% (0.13 1.0 0.02 0.02) = 0.014% HA SER 85 - HN GLU- 18 2.222% * 0.0144% (0.13 1.0 0.02 2.22) = 0.014% HA GLU- 56 - HN GLU- 10 2.222% * 0.0096% (0.09 1.0 0.02 0.02) = 0.010% HA ILE 29 - HN GLU- 10 2.222% * 0.0096% (0.09 1.0 0.02 0.02) = 0.010% HA GLU- 56 - HN GLU- 18 2.222% * 0.0089% (0.08 1.0 0.02 0.02) = 0.009% HA ILE 29 - HN GLU- 18 2.222% * 0.0089% (0.08 1.0 0.02 0.02) = 0.009% HA GLU- 64 - HN GLU- 10 2.222% * 0.0064% (0.06 1.0 0.02 0.02) = 0.006% HA GLU- 64 - HN GLU- 18 2.222% * 0.0059% (0.06 1.0 0.02 0.02) = 0.006% HA ALA 93 - HN GLU- 10 2.222% * 0.0057% (0.05 1.0 0.02 0.02) = 0.006% HA GLU- 75 - HN GLU- 10 2.222% * 0.0057% (0.05 1.0 0.02 0.02) = 0.006% HA ALA 93 - HN GLU- 18 2.222% * 0.0053% (0.05 1.0 0.02 0.02) = 0.005% HA GLU- 75 - HN GLU- 18 2.222% * 0.0053% (0.05 1.0 0.02 0.02) = 0.005% Peak 243 (1.89, 8.46, 124.23 ppm): 36 chemical-shift based assignments, quality = 0.364, support = 3.3, residual support = 25.8: HG2 GLU- 18 - HN GLU- 18 2.778% * 47.1804% (0.22 5.60 53.83) = 47.180% kept HB3 GLN 16 - HN GLU- 107 2.778% * 23.9696% (0.90 0.68 0.30) = 23.970% kept HB3 GLN 16 - HN GLU- 18 2.778% * 20.1988% (0.22 2.40 1.50) = 20.199% kept HG2 PRO 112 - HN GLU- 18 2.778% * 1.4508% (0.05 0.68 0.12) = 1.451% kept HG2 GLU- 18 - HN GLU- 107 2.778% * 0.7013% (0.90 0.02 0.02) = 0.701% HB3 CYS 123 - HN GLU- 107 2.778% * 0.5976% (0.77 0.02 0.02) = 0.598% HG3 LYS+ 120 - HN GLU- 107 2.778% * 0.5976% (0.77 0.02 0.02) = 0.598% HD2 PRO 59 - HN GLU- 107 2.778% * 0.5496% (0.14 0.10 0.02) = 0.550% HB3 ARG+ 53 - HN GLU- 107 2.778% * 0.4915% (0.63 0.02 0.02) = 0.491% HB2 PRO 112 - HN GLU- 107 2.778% * 0.4568% (0.59 0.02 0.02) = 0.457% HD3 PRO 52 - HN GLU- 107 2.778% * 0.4340% (0.56 0.02 0.02) = 0.434% HB3 ARG+ 84 - HN GLU- 107 2.778% * 0.4051% (0.52 0.02 0.02) = 0.405% HB3 GLN 102 - HN GLU- 107 2.778% * 0.2941% (0.38 0.02 0.02) = 0.294% HG2 GLU- 18 - HN GLU- 10 2.778% * 0.1820% (0.23 0.02 0.02) = 0.182% HB3 GLN 16 - HN GLU- 10 2.778% * 0.1820% (0.23 0.02 0.02) = 0.182% HD3 LYS+ 63 - HN GLU- 107 2.778% * 0.1784% (0.23 0.02 0.02) = 0.178% HG2 PRO 112 - HN GLU- 107 2.778% * 0.1764% (0.23 0.02 0.02) = 0.176% HG2 PRO 112 - HN GLU- 10 2.778% * 0.1723% (0.06 0.08 0.02) = 0.172% HB3 CYS 123 - HN GLU- 10 2.778% * 0.1551% (0.20 0.02 0.02) = 0.155% HG3 LYS+ 120 - HN GLU- 10 2.778% * 0.1551% (0.20 0.02 0.02) = 0.155% HB3 CYS 123 - HN GLU- 18 2.778% * 0.1436% (0.19 0.02 0.02) = 0.144% HG3 LYS+ 120 - HN GLU- 18 2.778% * 0.1436% (0.19 0.02 0.02) = 0.144% HB3 ARG+ 53 - HN GLU- 10 2.778% * 0.1275% (0.16 0.02 0.02) = 0.128% HB2 PRO 112 - HN GLU- 10 2.778% * 0.1185% (0.15 0.02 0.02) = 0.119% HB3 ARG+ 53 - HN GLU- 18 2.778% * 0.1181% (0.15 0.02 0.02) = 0.118% HD3 PRO 52 - HN GLU- 10 2.778% * 0.1126% (0.15 0.02 0.02) = 0.113% HB2 PRO 112 - HN GLU- 18 2.778% * 0.1097% (0.14 0.02 0.12) = 0.110% HB3 ARG+ 84 - HN GLU- 10 2.778% * 0.1051% (0.14 0.02 0.02) = 0.105% HD3 PRO 52 - HN GLU- 18 2.778% * 0.1042% (0.13 0.02 0.02) = 0.104% HB3 ARG+ 84 - HN GLU- 18 2.778% * 0.0973% (0.13 0.02 3.05) = 0.097% HB3 GLN 102 - HN GLU- 10 2.778% * 0.0763% (0.10 0.02 0.02) = 0.076% HB3 GLN 102 - HN GLU- 18 2.778% * 0.0707% (0.09 0.02 0.77) = 0.071% HD3 LYS+ 63 - HN GLU- 10 2.778% * 0.0463% (0.06 0.02 0.02) = 0.046% HD3 LYS+ 63 - HN GLU- 18 2.778% * 0.0429% (0.06 0.02 0.02) = 0.043% HD2 PRO 59 - HN GLU- 10 2.778% * 0.0286% (0.04 0.02 0.02) = 0.029% HD2 PRO 59 - HN GLU- 18 2.778% * 0.0265% (0.03 0.02 0.02) = 0.027% Peak 244 (4.81, 8.47, 124.23 ppm): 9 chemical-shift based assignments, quality = 0.365, support = 5.68, residual support = 51.2: O HA GLU- 18 - HN GLU- 18 11.111% * 95.1064% (0.37 10.0 5.95 53.83) = 95.106% kept HA LEU 23 - HN GLU- 10 11.111% * 2.9292% (0.38 1.0 0.60 0.02) = 2.929% kept HA LEU 23 - HN GLU- 18 11.111% * 0.9239% (0.31 1.0 0.23 0.02) = 0.924% HA GLU- 18 - HN GLU- 107 11.111% * 0.2525% (0.99 1.0 0.02 0.02) = 0.252% HB THR 39 - HN GLU- 107 11.111% * 0.2497% (0.98 1.0 0.02 0.02) = 0.250% HA LEU 23 - HN GLU- 107 11.111% * 0.2128% (0.83 1.0 0.02 0.02) = 0.213% HA GLU- 18 - HN GLU- 10 11.111% * 0.1164% (0.45 1.0 0.02 0.02) = 0.116% HB THR 39 - HN GLU- 10 11.111% * 0.1151% (0.45 1.0 0.02 0.02) = 0.115% HB THR 39 - HN GLU- 18 11.111% * 0.0941% (0.37 1.0 0.02 0.02) = 0.094% Peak 245 (2.26, 8.46, 124.23 ppm): 36 chemical-shift based assignments, quality = 0.642, support = 2.13, residual support = 4.51: * HG3 GLU- 107 - HN GLU- 107 2.778% * 61.7352% (0.85 2.80 6.21) = 61.735% kept HG3 GLU- 75 - HN GLU- 107 2.778% * 7.7190% (0.83 0.36 0.02) = 7.719% kept HG3 GLU- 10 - HN GLU- 10 2.778% * 5.9279% (0.08 2.81 9.88) = 5.928% kept HG3 GLN 16 - HN GLU- 107 2.778% * 5.9172% (0.28 0.80 0.30) = 5.917% kept HG3 GLN 16 - HN GLU- 18 2.778% * 4.4995% (0.07 2.55 1.50) = 4.499% kept HG2 PRO 112 - HN GLU- 18 2.778% * 3.8349% (0.22 0.68 0.12) = 3.835% kept HB3 ASN 15 - HN GLU- 107 2.778% * 2.9510% (0.45 0.25 0.02) = 2.951% kept HB VAL 80 - HN GLU- 18 2.778% * 1.6826% (0.21 0.31 0.02) = 1.683% kept HB3 LYS+ 117 - HN GLU- 18 2.778% * 1.2464% (0.20 0.24 0.02) = 1.246% kept HG2 PRO 112 - HN GLU- 107 2.778% * 0.4663% (0.90 0.02 0.02) = 0.466% HG3 GLU- 54 - HN GLU- 107 2.778% * 0.4602% (0.89 0.02 0.02) = 0.460% HG2 PRO 112 - HN GLU- 10 2.778% * 0.4553% (0.23 0.08 0.02) = 0.455% HB VAL 80 - HN GLU- 107 2.778% * 0.4511% (0.87 0.02 0.02) = 0.451% HB3 LYS+ 117 - HN GLU- 107 2.778% * 0.4276% (0.83 0.02 0.02) = 0.428% HB3 PRO 112 - HN GLU- 107 2.778% * 0.3707% (0.72 0.02 0.02) = 0.371% HB2 LYS+ 44 - HN GLU- 107 2.778% * 0.1627% (0.31 0.02 0.02) = 0.163% HG3 GLU- 10 - HN GLU- 107 2.778% * 0.1627% (0.31 0.02 0.02) = 0.163% HG3 GLU- 54 - HN GLU- 10 2.778% * 0.1194% (0.23 0.02 0.02) = 0.119% HB3 GLU- 45 - HN GLU- 107 2.778% * 0.1189% (0.23 0.02 0.02) = 0.119% HB VAL 80 - HN GLU- 10 2.778% * 0.1170% (0.23 0.02 0.02) = 0.117% HG3 GLU- 107 - HN GLU- 10 2.778% * 0.1142% (0.22 0.02 0.02) = 0.114% HG3 GLU- 75 - HN GLU- 10 2.778% * 0.1110% (0.21 0.02 0.02) = 0.111% HB3 LYS+ 117 - HN GLU- 10 2.778% * 0.1110% (0.21 0.02 0.02) = 0.111% HG3 GLU- 54 - HN GLU- 18 2.778% * 0.1105% (0.21 0.02 0.02) = 0.111% HG3 GLU- 107 - HN GLU- 18 2.778% * 0.1057% (0.20 0.02 0.02) = 0.106% HG3 GLU- 75 - HN GLU- 18 2.778% * 0.1027% (0.20 0.02 0.02) = 0.103% HB3 PRO 112 - HN GLU- 10 2.778% * 0.0962% (0.19 0.02 0.02) = 0.096% HB3 PRO 112 - HN GLU- 18 2.778% * 0.0890% (0.17 0.02 0.12) = 0.089% HB3 ASN 15 - HN GLU- 10 2.778% * 0.0602% (0.12 0.02 0.02) = 0.060% HB3 ASN 15 - HN GLU- 18 2.778% * 0.0558% (0.11 0.02 0.02) = 0.056% HB2 LYS+ 44 - HN GLU- 10 2.778% * 0.0422% (0.08 0.02 0.02) = 0.042% HG3 GLU- 10 - HN GLU- 18 2.778% * 0.0391% (0.08 0.02 0.02) = 0.039% HB2 LYS+ 44 - HN GLU- 18 2.778% * 0.0391% (0.08 0.02 0.02) = 0.039% HG3 GLN 16 - HN GLU- 10 2.778% * 0.0382% (0.07 0.02 0.02) = 0.038% HB3 GLU- 45 - HN GLU- 10 2.778% * 0.0309% (0.06 0.02 0.85) = 0.031% HB3 GLU- 45 - HN GLU- 18 2.778% * 0.0286% (0.06 0.02 0.02) = 0.029% Peak 246 (4.68, 8.47, 124.23 ppm): 21 chemical-shift based assignments, quality = 0.291, support = 1.16, residual support = 0.882: HA GLN 16 - HN GLU- 18 4.762% * 52.9784% (0.17 1.99 1.50) = 52.978% kept HA GLN 16 - HN GLU- 107 4.762% * 27.6074% (0.45 0.39 0.30) = 27.607% kept HA ASN 89 - HN GLU- 107 4.762% * 3.0911% (0.98 0.02 0.02) = 3.091% kept HA TYR 83 - HN GLU- 107 4.762% * 2.6341% (0.83 0.02 0.02) = 2.634% kept HA PRO 35 - HN GLU- 107 4.762% * 1.9127% (0.60 0.02 0.02) = 1.913% kept HA ASN 89 - HN GLU- 10 4.762% * 1.4254% (0.45 0.02 0.02) = 1.425% kept HA TYR 83 - HN GLU- 10 4.762% * 1.2147% (0.38 0.02 0.02) = 1.215% kept HA ASN 89 - HN GLU- 18 4.762% * 1.1645% (0.37 0.02 0.02) = 1.164% kept HA TYR 83 - HN GLU- 18 4.762% * 0.9923% (0.31 0.02 0.02) = 0.992% HA VAL 99 - HN GLU- 107 4.762% * 0.9733% (0.31 0.02 0.02) = 0.973% HA LYS+ 120 - HN GLU- 107 4.762% * 0.9733% (0.31 0.02 0.02) = 0.973% HA PRO 35 - HN GLU- 10 4.762% * 0.8820% (0.28 0.02 0.02) = 0.882% HA PRO 35 - HN GLU- 18 4.762% * 0.7206% (0.23 0.02 0.02) = 0.721% HA GLN 16 - HN GLU- 10 4.762% * 0.6520% (0.21 0.02 0.02) = 0.652% HA THR 61 - HN GLU- 107 4.762% * 0.6241% (0.20 0.02 0.02) = 0.624% HA LYS+ 120 - HN GLU- 10 4.762% * 0.4488% (0.14 0.02 0.02) = 0.449% HA VAL 99 - HN GLU- 10 4.762% * 0.4488% (0.14 0.02 0.02) = 0.449% HA LYS+ 120 - HN GLU- 18 4.762% * 0.3667% (0.12 0.02 0.02) = 0.367% HA VAL 99 - HN GLU- 18 4.762% * 0.3667% (0.12 0.02 0.02) = 0.367% HA THR 61 - HN GLU- 10 4.762% * 0.2878% (0.09 0.02 0.02) = 0.288% HA THR 61 - HN GLU- 18 4.762% * 0.2351% (0.07 0.02 0.02) = 0.235% Peak 247 (2.03, 8.46, 124.23 ppm): 48 chemical-shift based assignments, quality = 0.418, support = 2.56, residual support = 10.9: * O HB3 GLU- 107 - HN GLU- 107 2.083% * 70.7545% (0.52 10.0 2.64 6.21) = 70.754% kept O HB3 GLU- 10 - HN GLU- 10 2.083% * 15.0962% (0.20 10.0 1.11 9.88) = 15.096% kept O HB2 GLU- 18 - HN GLU- 18 2.083% * 9.2655% (0.07 10.0 5.45 53.83) = 9.266% kept HB3 GLU- 75 - HN GLU- 107 2.083% * 2.2319% (0.52 1.0 0.64 0.02) = 2.232% kept HG2 PRO 112 - HN GLU- 18 2.083% * 0.6578% (0.14 1.0 0.68 0.12) = 0.658% HB3 GLU- 75 - HN GLU- 18 2.083% * 0.3017% (0.12 1.0 0.36 0.02) = 0.302% HB3 LYS+ 110 - HN GLU- 107 2.083% * 0.1225% (0.90 1.0 0.02 0.02) = 0.122% HG3 GLU- 64 - HN GLU- 107 2.083% * 0.1182% (0.87 1.0 0.02 0.02) = 0.118% HB3 GLU- 54 - HN GLU- 107 2.083% * 0.1154% (0.85 1.0 0.02 0.02) = 0.115% HB3 GLU- 64 - HN GLU- 107 2.083% * 0.1044% (0.77 1.0 0.02 0.02) = 0.104% HB3 GLU- 10 - HN GLU- 107 2.083% * 0.1044% (0.77 1.0 0.02 0.02) = 0.104% HB3 PRO 31 - HN GLU- 107 2.083% * 0.0955% (0.71 1.0 0.02 0.02) = 0.096% HG3 PRO 86 - HN GLU- 107 2.083% * 0.0858% (0.63 1.0 0.02 0.02) = 0.086% HG2 PRO 112 - HN GLU- 107 2.083% * 0.0800% (0.59 1.0 0.02 0.02) = 0.080% HG2 PRO 112 - HN GLU- 10 2.083% * 0.0781% (0.15 1.0 0.08 0.02) = 0.078% HB2 GLU- 45 - HN GLU- 107 2.083% * 0.0708% (0.52 1.0 0.02 0.02) = 0.071% HG2 PRO 116 - HN GLU- 107 2.083% * 0.0658% (0.49 1.0 0.02 0.02) = 0.066% HB2 GLU- 18 - HN GLU- 107 2.083% * 0.0386% (0.28 1.0 0.02 0.02) = 0.039% HG3 PRO 112 - HN GLU- 107 2.083% * 0.0347% (0.26 1.0 0.02 0.02) = 0.035% HB3 LYS+ 110 - HN GLU- 10 2.083% * 0.0318% (0.23 1.0 0.02 0.02) = 0.032% HG3 GLU- 64 - HN GLU- 10 2.083% * 0.0307% (0.23 1.0 0.02 0.02) = 0.031% HB3 GLU- 54 - HN GLU- 10 2.083% * 0.0299% (0.22 1.0 0.02 0.02) = 0.030% HB3 LYS+ 110 - HN GLU- 18 2.083% * 0.0294% (0.22 1.0 0.02 0.02) = 0.029% HG3 GLU- 64 - HN GLU- 18 2.083% * 0.0284% (0.21 1.0 0.02 0.02) = 0.028% HB2 HIS+ 14 - HN GLU- 107 2.083% * 0.0278% (0.21 1.0 0.02 0.02) = 0.028% HB3 MET 118 - HN GLU- 107 2.083% * 0.0278% (0.21 1.0 0.02 0.02) = 0.028% HB3 GLU- 54 - HN GLU- 18 2.083% * 0.0277% (0.20 1.0 0.02 0.02) = 0.028% HB3 GLU- 64 - HN GLU- 10 2.083% * 0.0271% (0.20 1.0 0.02 0.02) = 0.027% HB3 GLU- 64 - HN GLU- 18 2.083% * 0.0251% (0.19 1.0 0.02 0.02) = 0.025% HB3 GLU- 10 - HN GLU- 18 2.083% * 0.0251% (0.19 1.0 0.02 0.02) = 0.025% HB3 PRO 31 - HN GLU- 10 2.083% * 0.0248% (0.18 1.0 0.02 0.02) = 0.025% HB3 PRO 31 - HN GLU- 18 2.083% * 0.0229% (0.17 1.0 0.02 0.02) = 0.023% HG3 PRO 86 - HN GLU- 10 2.083% * 0.0223% (0.16 1.0 0.02 0.02) = 0.022% HG3 PRO 86 - HN GLU- 18 2.083% * 0.0206% (0.15 1.0 0.02 0.02) = 0.021% HB2 GLU- 45 - HN GLU- 10 2.083% * 0.0184% (0.14 1.0 0.02 0.85) = 0.018% HB3 GLU- 107 - HN GLU- 10 2.083% * 0.0184% (0.14 1.0 0.02 0.02) = 0.018% HB3 GLU- 75 - HN GLU- 10 2.083% * 0.0181% (0.13 1.0 0.02 0.02) = 0.018% HG2 PRO 116 - HN GLU- 10 2.083% * 0.0171% (0.13 1.0 0.02 0.02) = 0.017% HB3 GLU- 107 - HN GLU- 18 2.083% * 0.0170% (0.13 1.0 0.02 0.02) = 0.017% HB2 GLU- 45 - HN GLU- 18 2.083% * 0.0170% (0.13 1.0 0.02 0.02) = 0.017% HG2 PRO 116 - HN GLU- 18 2.083% * 0.0158% (0.12 1.0 0.02 0.02) = 0.016% HB2 GLU- 18 - HN GLU- 10 2.083% * 0.0100% (0.07 1.0 0.02 0.02) = 0.010% HG3 PRO 112 - HN GLU- 10 2.083% * 0.0090% (0.07 1.0 0.02 0.02) = 0.009% HG3 PRO 112 - HN GLU- 18 2.083% * 0.0083% (0.06 1.0 0.02 0.12) = 0.008% HB3 MET 118 - HN GLU- 10 2.083% * 0.0072% (0.05 1.0 0.02 0.02) = 0.007% HB2 HIS+ 14 - HN GLU- 10 2.083% * 0.0072% (0.05 1.0 0.02 0.02) = 0.007% HB3 MET 118 - HN GLU- 18 2.083% * 0.0067% (0.05 1.0 0.02 0.02) = 0.007% HB2 HIS+ 14 - HN GLU- 18 2.083% * 0.0067% (0.05 1.0 0.02 0.02) = 0.007% Peak 248 (8.16, 8.47, 124.23 ppm): 9 chemical-shift based assignments, quality = 0.506, support = 1.36, residual support = 0.777: HN GLN 16 - HN GLU- 107 11.111% * 47.4697% (0.72 0.92 0.30) = 47.470% kept HN GLN 16 - HN GLU- 18 11.111% * 41.9929% (0.27 2.16 1.50) = 41.993% kept HN SER 41 - HN GLU- 18 11.111% * 4.0077% (0.37 0.15 0.02) = 4.008% kept HN SER 41 - HN GLU- 10 11.111% * 2.5772% (0.45 0.08 0.02) = 2.577% kept HN SER 41 - HN GLU- 107 11.111% * 1.3903% (0.98 0.02 0.02) = 1.390% kept HN SER 77 - HN GLU- 107 11.111% * 1.1357% (0.80 0.02 0.02) = 1.136% kept HN SER 77 - HN GLU- 10 11.111% * 0.5237% (0.37 0.02 0.02) = 0.524% HN GLN 16 - HN GLU- 10 11.111% * 0.4749% (0.33 0.02 0.02) = 0.475% HN SER 77 - HN GLU- 18 11.111% * 0.4279% (0.30 0.02 0.02) = 0.428% Peak 249 (8.21, 8.22, 124.30 ppm): 1 diagonal assignment: * HN ALA 11 - HN ALA 11 (0.64) kept Peak 250 (2.05, 8.22, 124.30 ppm): 14 chemical-shift based assignments, quality = 0.45, support = 0.951, residual support = 1.08: * HB3 GLU- 10 - HN ALA 11 7.143% * 27.5164% (0.20 2.07 2.95) = 27.516% kept HB2 GLU- 45 - HN ALA 11 7.143% * 27.2751% (0.63 0.64 0.88) = 27.275% kept HG3 PRO 86 - HN ALA 11 7.143% * 18.8494% (0.64 0.44 0.11) = 18.849% kept HG2 PRO 112 - HN ALA 11 7.143% * 18.4174% (0.44 0.63 0.02) = 18.417% kept HB3 GLU- 75 - HN ALA 11 7.143% * 5.2511% (0.45 0.17 0.02) = 5.251% kept HB3 LYS+ 110 - HN ALA 11 7.143% * 0.6581% (0.49 0.02 0.02) = 0.658% HG3 GLU- 64 - HN ALA 11 7.143% * 0.3861% (0.29 0.02 0.02) = 0.386% HB3 GLU- 54 - HN ALA 11 7.143% * 0.3540% (0.26 0.02 0.02) = 0.354% HB VAL 62 - HN ALA 11 7.143% * 0.3232% (0.24 0.02 0.02) = 0.323% HB3 GLU- 64 - HN ALA 11 7.143% * 0.2658% (0.20 0.02 0.02) = 0.266% HB ILE 101 - HN ALA 11 7.143% * 0.2394% (0.18 0.02 0.02) = 0.239% HB3 PRO 31 - HN ALA 11 7.143% * 0.2147% (0.16 0.02 0.02) = 0.215% HB3 LYS+ 120 - HN ALA 11 7.143% * 0.1329% (0.10 0.02 0.02) = 0.133% HB3 GLU- 107 - HN ALA 11 7.143% * 0.1165% (0.09 0.02 0.02) = 0.117% Peak 251 (4.21, 8.22, 124.30 ppm): 11 chemical-shift based assignments, quality = 0.207, support = 1.32, residual support = 2.53: * O HA GLU- 10 - HN ALA 11 9.091% * 70.7406% (0.10 10.0 1.61 2.95) = 70.741% kept HA GLU- 12 - HN ALA 11 9.091% * 17.9640% (0.53 1.0 0.75 2.35) = 17.964% kept HB3 SER 49 - HN ALA 11 9.091% * 9.7299% (0.42 1.0 0.51 0.24) = 9.730% kept HA ASP- 82 - HN ALA 11 9.091% * 0.5591% (0.63 1.0 0.02 0.02) = 0.559% HA GLU- 109 - HN ALA 11 9.091% * 0.3001% (0.34 1.0 0.02 0.02) = 0.300% HA SER 49 - HN ALA 11 9.091% * 0.1946% (0.22 1.0 0.02 0.24) = 0.195% HA ALA 42 - HN ALA 11 9.091% * 0.1586% (0.18 1.0 0.02 0.02) = 0.159% HA VAL 65 - HN ALA 11 9.091% * 0.0999% (0.11 1.0 0.02 0.02) = 0.100% HA LYS+ 108 - HN ALA 11 9.091% * 0.0880% (0.10 1.0 0.02 0.02) = 0.088% HA GLU- 54 - HN ALA 11 9.091% * 0.0880% (0.10 1.0 0.02 0.02) = 0.088% HA VAL 73 - HN ALA 11 9.091% * 0.0772% (0.09 1.0 0.02 0.02) = 0.077% Peak 252 (1.35, 8.22, 124.30 ppm): 7 chemical-shift based assignments, quality = 0.385, support = 1.57, residual support = 5.47: * O QB ALA 11 - HN ALA 11 14.286% * 97.4976% (0.39 10.0 1.61 5.61) = 97.498% kept HB2 ARG+ 22 - HN ALA 11 14.286% * 1.0670% (0.14 1.0 0.48 0.28) = 1.067% kept HG3 LYS+ 81 - HN ALA 11 14.286% * 1.0420% (0.59 1.0 0.11 0.02) = 1.042% kept HB3 LEU 17 - HN ALA 11 14.286% * 0.1671% (0.53 1.0 0.02 0.02) = 0.167% HB3 LYS+ 20 - HN ALA 11 14.286% * 0.1294% (0.41 1.0 0.02 0.02) = 0.129% HG2 LYS+ 78 - HN ALA 11 14.286% * 0.0618% (0.20 1.0 0.02 0.02) = 0.062% QG2 THR 39 - HN ALA 11 14.286% * 0.0350% (0.11 1.0 0.02 0.02) = 0.035% Peak 253 (1.52, 8.30, 124.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 254 (4.73, 8.30, 124.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 255 (1.66, 8.30, 124.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 256 (4.24, 8.30, 124.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 257 (1.76, 8.30, 124.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 258 (3.05, 8.30, 124.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 259 (0.84, 8.30, 124.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 260 (1.53, 8.29, 124.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 261 (8.29, 8.29, 124.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 262 (4.58, 8.29, 124.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 263 (4.74, 8.29, 124.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 264 (1.79, 8.29, 124.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 265 (4.23, 8.29, 124.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 266 (8.03, 8.03, 123.92 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HN SER 124 - HN SER 124 Peak unassigned. Peak 267 (1.36, 8.03, 123.92 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 268 (9.07, 8.43, 123.73 ppm): 4 chemical-shift based assignments, quality = 0.953, support = 4.4, residual support = 21.8: * T HN GLU- 54 - HN ARG+ 53 25.000% * 68.0805% (0.96 10.00 6.06 31.86) = 68.081% kept T HN GLU- 54 - HN CYS 123 25.000% * 28.6152% (0.95 10.00 0.85 0.30) = 28.615% kept HN LYS+ 66 - HN ARG+ 53 25.000% * 3.2416% (0.89 1.00 1.02 0.02) = 3.242% kept HN LYS+ 66 - HN CYS 123 25.000% * 0.0627% (0.88 1.00 0.02 0.02) = 0.063% Peak 269 (8.43, 8.43, 123.73 ppm): 2 diagonal assignments: * HN CYS 123 - HN CYS 123 (0.97) kept HN ARG+ 53 - HN ARG+ 53 (0.96) kept Peak 270 (1.77, 8.43, 123.73 ppm): 24 chemical-shift based assignments, quality = 0.83, support = 3.38, residual support = 23.7: * HG3 ARG+ 53 - HN ARG+ 53 4.167% * 61.1415% (0.83 4.90 38.79) = 61.142% kept HG3 ARG+ 53 - HN CYS 123 4.167% * 17.7727% (0.82 1.44 0.11) = 17.773% kept HG2 ARG+ 84 - HN ARG+ 53 4.167% * 13.1107% (0.97 0.90 0.02) = 13.111% kept HB2 ARG+ 84 - HN ARG+ 53 4.167% * 3.4428% (0.96 0.24 0.02) = 3.443% kept HB3 GLU- 18 - HN ARG+ 53 4.167% * 1.6618% (0.98 0.11 0.02) = 1.662% kept HB3 GLU- 18 - HN CYS 123 4.167% * 0.2934% (0.98 0.02 0.02) = 0.293% HG2 ARG+ 84 - HN CYS 123 4.167% * 0.2902% (0.97 0.02 0.02) = 0.290% HB2 ARG+ 84 - HN CYS 123 4.167% * 0.2857% (0.95 0.02 0.02) = 0.286% HG3 LYS+ 63 - HN ARG+ 53 4.167% * 0.2051% (0.68 0.02 0.02) = 0.205% HG3 LYS+ 63 - HN CYS 123 4.167% * 0.2034% (0.68 0.02 0.02) = 0.203% HG2 PRO 31 - HN ARG+ 53 4.167% * 0.1932% (0.64 0.02 0.02) = 0.193% HG2 PRO 31 - HN CYS 123 4.167% * 0.1915% (0.64 0.02 0.02) = 0.192% HD3 PRO 59 - HN ARG+ 53 4.167% * 0.1811% (0.60 0.02 0.02) = 0.181% HD3 PRO 59 - HN CYS 123 4.167% * 0.1796% (0.60 0.02 0.02) = 0.180% HB2 LEU 17 - HN ARG+ 53 4.167% * 0.1339% (0.45 0.02 0.02) = 0.134% HB2 LEU 17 - HN CYS 123 4.167% * 0.1327% (0.44 0.02 0.02) = 0.133% HB3 LYS+ 63 - HN ARG+ 53 4.167% * 0.0830% (0.28 0.02 0.02) = 0.083% HB3 LYS+ 108 - HN ARG+ 53 4.167% * 0.0830% (0.28 0.02 0.02) = 0.083% HB3 LYS+ 108 - HN CYS 123 4.167% * 0.0823% (0.27 0.02 0.02) = 0.082% HB3 LYS+ 63 - HN CYS 123 4.167% * 0.0823% (0.27 0.02 0.02) = 0.082% HB2 LYS+ 117 - HN ARG+ 53 4.167% * 0.0665% (0.22 0.02 0.02) = 0.066% HB2 LYS+ 117 - HN CYS 123 4.167% * 0.0659% (0.22 0.02 0.02) = 0.066% HB3 LEU 23 - HN ARG+ 53 4.167% * 0.0591% (0.20 0.02 0.20) = 0.059% HB3 LEU 23 - HN CYS 123 4.167% * 0.0586% (0.19 0.02 0.02) = 0.059% Peak 271 (2.23, 8.43, 123.73 ppm): 28 chemical-shift based assignments, quality = 0.966, support = 5.4, residual support = 22.2: * O HB2 PRO 52 - HN ARG+ 53 3.571% * 95.4006% (0.99 10.0 5.65 23.27) = 95.401% kept HG2 PRO 112 - HN ARG+ 53 3.571% * 2.0386% (0.99 1.0 0.43 0.02) = 2.039% kept HB2 PRO 52 - HN CYS 123 3.571% * 0.8194% (0.98 1.0 0.17 0.02) = 0.819% HG3 GLU- 109 - HN ARG+ 53 3.571% * 0.0954% (0.99 1.0 0.02 0.02) = 0.095% HG2 PRO 112 - HN CYS 123 3.571% * 0.0947% (0.98 1.0 0.02 0.02) = 0.095% HG3 GLU- 109 - HN CYS 123 3.571% * 0.0946% (0.98 1.0 0.02 0.02) = 0.095% HG3 GLN 102 - HN ARG+ 53 3.571% * 0.0923% (0.96 1.0 0.02 0.02) = 0.092% HG3 GLN 102 - HN CYS 123 3.571% * 0.0915% (0.95 1.0 0.02 0.02) = 0.091% HG3 GLU- 18 - HN ARG+ 53 3.571% * 0.0857% (0.89 1.0 0.02 0.02) = 0.086% HG3 GLU- 18 - HN CYS 123 3.571% * 0.0850% (0.88 1.0 0.02 0.02) = 0.085% HB2 GLU- 50 - HN ARG+ 53 3.571% * 0.0799% (0.83 1.0 0.02 0.02) = 0.080% HB2 GLU- 50 - HN CYS 123 3.571% * 0.0792% (0.82 1.0 0.02 0.02) = 0.079% HB3 GLU- 45 - HN ARG+ 53 3.571% * 0.0766% (0.80 1.0 0.02 0.02) = 0.077% HB3 GLU- 45 - HN CYS 123 3.571% * 0.0759% (0.79 1.0 0.02 0.02) = 0.076% HG3 MET 97 - HN ARG+ 53 3.571% * 0.0694% (0.72 1.0 0.02 0.02) = 0.069% HG3 GLN 16 - HN ARG+ 53 3.571% * 0.0694% (0.72 1.0 0.02 0.02) = 0.069% HA1 GLY 58 - HN ARG+ 53 3.571% * 0.0694% (0.72 1.0 0.02 0.02) = 0.069% HG3 MET 97 - HN CYS 123 3.571% * 0.0688% (0.72 1.0 0.02 0.02) = 0.069% HG3 GLN 16 - HN CYS 123 3.571% * 0.0688% (0.72 1.0 0.02 0.02) = 0.069% HA1 GLY 58 - HN CYS 123 3.571% * 0.0688% (0.72 1.0 0.02 0.02) = 0.069% HG3 GLU- 10 - HN ARG+ 53 3.571% * 0.0657% (0.68 1.0 0.02 0.02) = 0.066% HG3 GLU- 10 - HN CYS 123 3.571% * 0.0651% (0.68 1.0 0.02 0.02) = 0.065% HG3 MET 126 - HN ARG+ 53 3.571% * 0.0580% (0.60 1.0 0.02 0.02) = 0.058% HG3 MET 126 - HN CYS 123 3.571% * 0.0575% (0.60 1.0 0.02 0.02) = 0.057% HB3 ASN 15 - HN ARG+ 53 3.571% * 0.0503% (0.52 1.0 0.02 0.02) = 0.050% HB3 ASN 15 - HN CYS 123 3.571% * 0.0499% (0.52 1.0 0.02 0.02) = 0.050% HG3 GLU- 107 - HN ARG+ 53 3.571% * 0.0148% (0.15 1.0 0.02 0.02) = 0.015% HG3 GLU- 107 - HN CYS 123 3.571% * 0.0146% (0.15 1.0 0.02 0.02) = 0.015% Peak 272 (1.70, 8.34, 123.66 ppm): 4 chemical-shift based assignments, quality = 0.253, support = 0.02, residual support = 0.02: HG2 PRO 52 - HN ASN 76 25.000% * 30.2463% (0.30 0.02 0.02) = 30.246% kept HB2 GLN 16 - HN ASN 76 25.000% * 28.4849% (0.28 0.02 0.02) = 28.485% kept HG13 ILE 19 - HN ASN 76 25.000% * 23.1665% (0.23 0.02 0.02) = 23.166% kept HD3 LYS+ 55 - HN ASN 76 25.000% * 18.1023% (0.18 0.02 0.02) = 18.102% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 273 (8.29, 8.34, 123.66 ppm): 1 diagonal assignment: HN ASN 76 - HN ASN 76 (0.07) kept Peak 274 (4.42, 8.24, 123.72 ppm): 11 chemical-shift based assignments, quality = 0.951, support = 2.95, residual support = 8.87: * O HA LYS+ 66 - HN LEU 67 9.091% * 97.5678% (0.97 10.0 3.01 9.09) = 97.568% kept HA THR 95 - HN LEU 67 9.091% * 1.8454% (0.49 1.0 0.75 0.28) = 1.845% kept HA HIS+ 14 - HN LEU 67 9.091% * 0.1002% (0.99 1.0 0.02 0.02) = 0.100% HA PRO 86 - HN LEU 67 9.091% * 0.0933% (0.92 1.0 0.02 0.02) = 0.093% HA PRO 116 - HN LEU 67 9.091% * 0.0877% (0.87 1.0 0.02 0.02) = 0.088% HA PRO 112 - HN LEU 67 9.091% * 0.0810% (0.80 1.0 0.02 0.02) = 0.081% HA PRO 104 - HN LEU 67 9.091% * 0.0613% (0.61 1.0 0.02 0.02) = 0.061% HA LYS+ 111 - HN LEU 67 9.091% * 0.0532% (0.53 1.0 0.02 0.02) = 0.053% HB THR 24 - HN LEU 67 9.091% * 0.0492% (0.49 1.0 0.02 0.02) = 0.049% HA ASN 57 - HN LEU 67 9.091% * 0.0453% (0.45 1.0 0.02 0.02) = 0.045% HA SER 88 - HN LEU 67 9.091% * 0.0156% (0.15 1.0 0.02 0.11) = 0.016% Peak 275 (1.20, 8.24, 123.72 ppm): 4 chemical-shift based assignments, quality = 0.794, support = 4.82, residual support = 113.9: * O HB2 LEU 67 - HN LEU 67 25.000% * 98.8423% (0.80 10.0 4.87 115.02) = 98.842% kept HB2 LEU 74 - HN LEU 67 25.000% * 1.0357% (0.28 1.0 0.60 17.19) = 1.036% kept HB3 ARG+ 22 - HN LEU 67 25.000% * 0.0799% (0.65 1.0 0.02 0.32) = 0.080% HG12 ILE 100 - HN LEU 67 25.000% * 0.0421% (0.34 1.0 0.02 8.65) = 0.042% Peak 276 (1.46, 8.24, 123.72 ppm): 8 chemical-shift based assignments, quality = 0.967, support = 4.5, residual support = 108.7: * O HB3 LEU 67 - HN LEU 67 12.500% * 94.5137% (0.98 10.0 4.72 115.02) = 94.514% kept HG13 ILE 48 - HN LEU 67 12.500% * 3.2650% (0.95 1.0 0.72 0.17) = 3.265% kept HB3 LYS+ 44 - HN LEU 67 12.500% * 1.9023% (0.53 1.0 0.75 0.80) = 1.902% kept HG3 PRO 52 - HN LEU 67 12.500% * 0.0962% (1.00 1.0 0.02 0.14) = 0.096% HG3 LYS+ 60 - HN LEU 67 12.500% * 0.0772% (0.80 1.0 0.02 0.02) = 0.077% HG2 PRO 59 - HN LEU 67 12.500% * 0.0772% (0.80 1.0 0.02 0.80) = 0.077% QB ALA 70 - HN LEU 67 12.500% * 0.0469% (0.49 1.0 0.02 0.02) = 0.047% HG LEU 90 - HN LEU 67 12.500% * 0.0215% (0.22 1.0 0.02 0.02) = 0.021% Peak 277 (0.76, 8.24, 123.72 ppm): 6 chemical-shift based assignments, quality = 0.416, support = 2.81, residual support = 12.7: HG3 LYS+ 66 - HN LEU 67 16.667% * 50.0360% (0.53 3.37 9.09) = 50.036% kept QD1 ILE 68 - HN LEU 67 16.667% * 22.9983% (0.22 3.66 34.91) = 22.998% kept QG2 VAL 65 - HN LEU 67 16.667% * 12.7276% (0.28 1.62 0.72) = 12.728% kept HG3 LYS+ 44 - HN LEU 67 16.667% * 9.0321% (0.53 0.61 0.80) = 9.032% kept QG2 ILE 48 - HN LEU 67 16.667% * 5.0941% (0.37 0.48 0.17) = 5.094% kept QG1 VAL 40 - HN LEU 67 16.667% * 0.1117% (0.20 0.02 0.02) = 0.112% Peak 278 (0.90, 8.24, 123.72 ppm): 11 chemical-shift based assignments, quality = 0.864, support = 4.84, residual support = 94.1: * QD1 LEU 67 - HN LEU 67 9.091% * 76.3133% (1.00 5.43 115.02) = 76.313% kept HG12 ILE 68 - HN LEU 67 9.091% * 18.0736% (0.34 3.76 34.91) = 18.074% kept QG1 VAL 47 - HN LEU 67 9.091% * 4.2229% (0.98 0.31 0.46) = 4.223% kept HG3 LYS+ 117 - HN LEU 67 9.091% * 0.2810% (1.00 0.02 0.02) = 0.281% QG2 VAL 87 - HN LEU 67 9.091% * 0.2664% (0.95 0.02 0.02) = 0.266% QG2 VAL 40 - HN LEU 67 9.091% * 0.2664% (0.95 0.02 0.02) = 0.266% QG1 VAL 80 - HN LEU 67 9.091% * 0.1822% (0.65 0.02 0.02) = 0.182% QG2 VAL 80 - HN LEU 67 9.091% * 0.1482% (0.53 0.02 0.02) = 0.148% HG3 LYS+ 110 - HN LEU 67 9.091% * 0.1158% (0.41 0.02 0.02) = 0.116% QG2 VAL 125 - HN LEU 67 9.091% * 0.0869% (0.31 0.02 0.02) = 0.087% QG2 VAL 105 - HN LEU 67 9.091% * 0.0434% (0.15 0.02 0.02) = 0.043% Peak 279 (1.07, 8.24, 123.72 ppm): 1 chemical-shift based assignment, quality = 0.764, support = 0.282, residual support = 0.282: QG2 THR 95 - HN LEU 67 100.000% *100.0000% (0.76 0.28 0.28) = 100.000% kept Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 280 (5.55, 8.24, 123.72 ppm): 1 chemical-shift based assignment, quality = 0.341, support = 6.09, residual support = 115.0: * O HA LEU 67 - HN LEU 67 100.000% *100.0000% (0.34 10.0 6.09 115.02) = 100.000% kept Peak 281 (2.03, 8.24, 123.72 ppm): 16 chemical-shift based assignments, quality = 0.778, support = 0.548, residual support = 0.155: HG3 GLU- 64 - HN LEU 67 6.250% * 32.3292% (0.99 0.60 0.16) = 32.329% kept HB3 GLU- 75 - HN LEU 67 6.250% * 25.2003% (0.49 0.95 0.26) = 25.200% kept HB3 GLU- 64 - HN LEU 67 6.250% * 22.9102% (0.99 0.42 0.16) = 22.910% kept HB3 GLU- 107 - HN LEU 67 6.250% * 4.1958% (0.84 0.09 0.02) = 4.196% kept HB2 GLU- 45 - HN LEU 67 6.250% * 4.1417% (0.31 0.25 0.02) = 4.142% kept HB3 PRO 31 - HN LEU 67 6.250% * 4.0203% (0.97 0.08 0.02) = 4.020% kept HB3 GLU- 54 - HN LEU 67 6.250% * 1.0873% (1.00 0.02 0.02) = 1.087% kept HB3 GLU- 10 - HN LEU 67 6.250% * 1.0801% (0.99 0.02 0.02) = 1.080% kept HG2 PRO 116 - HN LEU 67 6.250% * 0.8726% (0.80 0.02 0.02) = 0.873% HB3 LYS+ 110 - HN LEU 67 6.250% * 0.8726% (0.80 0.02 0.02) = 0.873% HG2 PRO 112 - HN LEU 67 6.250% * 0.6743% (0.62 0.02 0.02) = 0.674% HB2 GLU- 18 - HN LEU 67 6.250% * 0.6170% (0.57 0.02 0.02) = 0.617% HG3 PRO 112 - HN LEU 67 6.250% * 0.5733% (0.53 0.02 0.02) = 0.573% HB3 MET 118 - HN LEU 67 6.250% * 0.4886% (0.45 0.02 0.02) = 0.489% HB2 HIS+ 14 - HN LEU 67 6.250% * 0.4886% (0.45 0.02 0.02) = 0.489% HG3 PRO 86 - HN LEU 67 6.250% * 0.4480% (0.41 0.02 0.02) = 0.448% Peak 284 (4.43, 8.03, 123.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 285 (2.93, 8.03, 123.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 286 (0.90, 8.12, 123.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 287 (8.11, 8.12, 123.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 288 (1.98, 8.12, 123.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 289 (7.80, 7.80, 123.35 ppm): 1 diagonal assignment: * HN ALA 93 - HN ALA 93 (0.96) kept Peak 290 (1.37, 7.80, 123.35 ppm): 10 chemical-shift based assignments, quality = 0.511, support = 1.43, residual support = 2.34: * O QB ALA 93 - HN ALA 93 10.000% * 39.9891% (0.13 10.0 2.06 5.71) = 39.989% kept HB3 LEU 17 - HN ALA 93 10.000% * 13.4358% (0.64 1.0 1.41 0.23) = 13.436% kept HB3 LYS+ 20 - HN ALA 93 10.000% * 11.9905% (0.83 1.0 0.97 0.11) = 11.991% kept HG3 LYS+ 81 - HN ALA 93 10.000% * 11.1802% (0.52 1.0 1.44 0.11) = 11.180% kept QB ALA 11 - HN ALA 93 10.000% * 10.1326% (0.86 1.0 0.79 0.02) = 10.133% kept HG2 LYS+ 78 - HN ALA 93 10.000% * 7.5983% (1.00 1.0 0.51 0.02) = 7.598% kept QG2 THR 39 - HN ALA 93 10.000% * 5.2861% (0.94 1.0 0.38 0.02) = 5.286% kept HG13 ILE 68 - HN ALA 93 10.000% * 0.2366% (0.80 1.0 0.02 0.02) = 0.237% HD3 LYS+ 20 - HN ALA 93 10.000% * 0.1109% (0.37 1.0 0.02 0.11) = 0.111% HG13 ILE 100 - HN ALA 93 10.000% * 0.0400% (0.13 1.0 0.02 0.02) = 0.040% Peak 291 (4.30, 7.80, 123.35 ppm): 8 chemical-shift based assignments, quality = 0.783, support = 2.68, residual support = 5.57: * O HA ALA 93 - HN ALA 93 12.500% * 97.5450% (0.80 10.0 2.73 5.71) = 97.545% kept HA LEU 90 - HN ALA 93 12.500% * 1.9917% (0.31 1.0 1.06 0.15) = 1.992% kept HA ILE 29 - HN ALA 93 12.500% * 0.1152% (0.94 1.0 0.02 0.02) = 0.115% HA ASP- 36 - HN ALA 93 12.500% * 0.1057% (0.86 1.0 0.02 0.02) = 0.106% HA CYS 121 - HN ALA 93 12.500% * 0.0788% (0.64 1.0 0.02 0.02) = 0.079% HA THR 106 - HN ALA 93 12.500% * 0.0739% (0.60 1.0 0.02 0.02) = 0.074% HB3 CYS 121 - HN ALA 93 12.500% * 0.0593% (0.48 1.0 0.02 0.02) = 0.059% HA VAL 122 - HN ALA 93 12.500% * 0.0304% (0.25 1.0 0.02 0.02) = 0.030% Peak 292 (8.46, 7.80, 123.35 ppm): 6 chemical-shift based assignments, quality = 0.915, support = 2.62, residual support = 12.7: * T HN GLY 92 - HN ALA 93 16.667% * 99.6708% (0.92 10.00 2.63 12.76) = 99.671% kept HN GLU- 107 - HN ALA 93 16.667% * 0.1080% (1.00 1.00 0.02 0.02) = 0.108% HN LEU 74 - HN ALA 93 16.667% * 0.0698% (0.64 1.00 0.02 0.02) = 0.070% HN LYS+ 113 - HN ALA 93 16.667% * 0.0655% (0.60 1.00 0.02 0.02) = 0.065% HN GLU- 18 - HN ALA 93 16.667% * 0.0526% (0.48 1.00 0.02 0.02) = 0.053% HN GLU- 10 - HN ALA 93 16.667% * 0.0333% (0.31 1.00 0.02 0.02) = 0.033% Peak 293 (3.96, 7.80, 123.35 ppm): 3 chemical-shift based assignments, quality = 0.22, support = 2.48, residual support = 12.7: * O HA1 GLY 92 - HN ALA 93 33.333% * 99.4759% (0.22 10.0 2.49 12.76) = 99.476% kept HA1 GLY 114 - HN ALA 93 33.333% * 0.2890% (0.64 1.0 0.02 0.02) = 0.289% HA LEU 74 - HN ALA 93 33.333% * 0.2351% (0.52 1.0 0.02 0.02) = 0.235% Peak 294 (3.81, 7.80, 123.35 ppm): 5 chemical-shift based assignments, quality = 0.599, support = 1.59, residual support = 12.7: * O HA2 GLY 92 - HN ALA 93 20.000% * 99.2727% (0.60 10.0 1.60 12.76) = 99.273% kept HB3 SER 41 - HN ALA 93 20.000% * 0.2027% (0.99 1.0 0.02 0.02) = 0.203% HD3 PRO 112 - HN ALA 93 20.000% * 0.1834% (0.89 1.0 0.02 0.02) = 0.183% HD3 PRO 86 - HN ALA 93 20.000% * 0.1774% (0.86 1.0 0.02 0.02) = 0.177% HD3 PRO 116 - HN ALA 93 20.000% * 0.1638% (0.80 1.0 0.02 0.02) = 0.164% Peak 295 (8.21, 7.80, 123.35 ppm): 9 chemical-shift based assignments, quality = 0.824, support = 2.55, residual support = 9.92: * T HN VAL 94 - HN ALA 93 11.111% * 89.4352% (0.83 10.00 2.84 11.08) = 89.435% kept T HN VAL 105 - HN ALA 93 11.111% * 7.4148% (0.86 10.00 0.16 0.02) = 7.415% kept HN GLU- 45 - HN ALA 93 11.111% * 1.7333% (0.99 1.00 0.33 0.02) = 1.733% kept HN SER 49 - HN ALA 93 11.111% * 0.8267% (0.31 1.00 0.50 0.28) = 0.827% HN ALA 11 - HN ALA 93 11.111% * 0.4749% (0.96 1.00 0.09 0.02) = 0.475% HN ALA 33 - HN ALA 93 11.111% * 0.0649% (0.60 1.00 0.02 0.02) = 0.065% HN GLY 58 - HN ALA 93 11.111% * 0.0212% (0.20 1.00 0.02 0.02) = 0.021% HN LEU 67 - HN ALA 93 11.111% * 0.0145% (0.13 1.00 0.02 0.02) = 0.014% HN LYS+ 81 - HN ALA 93 11.111% * 0.0145% (0.13 1.00 0.02 0.11) = 0.014% Peak 296 (4.20, 7.80, 123.35 ppm): 5 chemical-shift based assignments, quality = 0.663, support = 0.64, residual support = 0.199: HB3 SER 49 - HN ALA 93 20.000% * 39.8359% (0.77 0.63 0.28) = 39.836% kept HA ASP- 82 - HN ALA 93 20.000% * 34.4252% (0.80 0.53 0.16) = 34.425% kept HA GLU- 12 - HN ALA 93 20.000% * 23.8996% (0.34 0.86 0.13) = 23.900% kept HA VAL 65 - HN ALA 93 20.000% * 0.9850% (0.60 0.02 0.02) = 0.985% HA VAL 73 - HN ALA 93 20.000% * 0.8544% (0.52 0.02 0.02) = 0.854% Peak 297 (7.58, 7.59, 122.90 ppm): 1 diagonal assignment: * HN LYS+ 78 - HN LYS+ 78 (0.92) kept Peak 298 (8.15, 7.59, 122.90 ppm): 4 chemical-shift based assignments, quality = 0.902, support = 4.0, residual support = 14.1: * T HN SER 77 - HN LYS+ 78 25.000% * 99.7388% (0.90 10.00 4.01 14.12) = 99.739% kept T HN GLY 26 - HN LYS+ 78 25.000% * 0.1782% (0.16 10.00 0.02 0.02) = 0.178% HN SER 41 - HN LYS+ 78 25.000% * 0.0576% (0.52 1.00 0.02 0.14) = 0.058% HN GLN 16 - HN LYS+ 78 25.000% * 0.0254% (0.23 1.00 0.02 0.02) = 0.025% Peak 299 (2.38, 7.59, 122.90 ppm): 6 chemical-shift based assignments, quality = 0.917, support = 5.28, residual support = 40.6: * O HB2 LYS+ 78 - HN LYS+ 78 16.667% * 97.2674% (0.92 10.0 5.43 41.77) = 97.267% kept HB3 GLU- 50 - HN LYS+ 78 16.667% * 1.3491% (0.80 1.0 0.32 0.02) = 1.349% kept HB3 ASP- 28 - HN LYS+ 78 16.667% * 1.0208% (0.85 1.0 0.23 0.47) = 1.021% kept HG2 PRO 112 - HN LYS+ 78 16.667% * 0.3186% (0.66 1.0 0.09 0.02) = 0.319% HG3 GLU- 50 - HN LYS+ 78 16.667% * 0.0270% (0.26 1.0 0.02 0.02) = 0.027% HB2 GLU- 64 - HN LYS+ 78 16.667% * 0.0170% (0.16 1.0 0.02 0.02) = 0.017% Peak 300 (4.51, 7.59, 122.90 ppm): 6 chemical-shift based assignments, quality = 0.426, support = 2.43, residual support = 15.5: * O HA SER 77 - HN LYS+ 78 16.667% * 81.8684% (0.37 10.0 2.47 14.12) = 81.868% kept HB THR 79 - HN LYS+ 78 16.667% * 17.5974% (0.69 1.0 2.31 22.64) = 17.597% kept HA LYS+ 55 - HN LYS+ 78 16.667% * 0.1922% (0.87 1.0 0.02 0.02) = 0.192% HB THR 46 - HN LYS+ 78 16.667% * 0.1922% (0.87 1.0 0.02 0.02) = 0.192% HA CYS 123 - HN LYS+ 78 16.667% * 0.0819% (0.37 1.0 0.02 0.02) = 0.082% HA ALA 103 - HN LYS+ 78 16.667% * 0.0679% (0.31 1.0 0.02 0.02) = 0.068% Peak 301 (1.62, 7.59, 122.90 ppm): 10 chemical-shift based assignments, quality = 0.888, support = 4.19, residual support = 38.4: * HG3 LYS+ 78 - HN LYS+ 78 10.000% * 91.8813% (0.91 4.55 41.77) = 91.881% kept HB ILE 68 - HN LYS+ 78 10.000% * 4.2297% (0.87 0.22 0.02) = 4.230% kept HB3 PRO 52 - HN LYS+ 78 10.000% * 1.7816% (0.56 0.14 0.02) = 1.782% kept HB VAL 122 - HN LYS+ 78 10.000% * 0.3853% (0.87 0.02 0.02) = 0.385% HG LEU 43 - HN LYS+ 78 10.000% * 0.3853% (0.87 0.02 0.02) = 0.385% HG12 ILE 101 - HN LYS+ 78 10.000% * 0.3760% (0.85 0.02 0.02) = 0.376% HG LEU 23 - HN LYS+ 78 10.000% * 0.3534% (0.80 0.02 0.02) = 0.353% HG2 LYS+ 110 - HN LYS+ 78 10.000% * 0.3113% (0.71 0.02 0.02) = 0.311% HD3 LYS+ 32 - HN LYS+ 78 10.000% * 0.1826% (0.41 0.02 0.02) = 0.183% HG2 ARG+ 22 - HN LYS+ 78 10.000% * 0.1133% (0.26 0.02 0.02) = 0.113% Peak 302 (2.15, 7.59, 122.90 ppm): 11 chemical-shift based assignments, quality = 0.841, support = 4.97, residual support = 40.5: * O HB3 LYS+ 78 - HN LYS+ 78 9.091% * 96.8873% (0.85 10.0 5.13 41.77) = 96.887% kept HB VAL 47 - HN LYS+ 78 9.091% * 1.6357% (0.91 1.0 0.31 0.02) = 1.636% kept HB2 ASP- 82 - HN LYS+ 78 9.091% * 0.7318% (0.28 1.0 0.45 0.92) = 0.732% HG2 PRO 112 - HN LYS+ 78 9.091% * 0.4543% (0.87 1.0 0.09 0.02) = 0.454% HG2 PRO 104 - HN LYS+ 78 9.091% * 0.0840% (0.74 1.0 0.02 0.02) = 0.084% HB3 GLU- 75 - HN LYS+ 78 9.091% * 0.0620% (0.55 1.0 0.02 0.02) = 0.062% HB2 ASP- 28 - HN LYS+ 78 9.091% * 0.0511% (0.45 1.0 0.02 0.47) = 0.051% HG2 GLN 102 - HN LYS+ 78 9.091% * 0.0358% (0.31 1.0 0.02 0.02) = 0.036% HG2 GLU- 45 - HN LYS+ 78 9.091% * 0.0234% (0.21 1.0 0.02 0.02) = 0.023% HB3 PRO 104 - HN LYS+ 78 9.091% * 0.0184% (0.16 1.0 0.02 0.02) = 0.018% HB VAL 99 - HN LYS+ 78 9.091% * 0.0162% (0.14 1.0 0.02 0.02) = 0.016% Peak 303 (1.37, 7.59, 122.90 ppm): 8 chemical-shift based assignments, quality = 0.856, support = 3.37, residual support = 30.1: * HG2 LYS+ 78 - HN LYS+ 78 12.500% * 71.9780% (0.90 4.38 41.77) = 71.978% kept QG2 THR 39 - HN LYS+ 78 12.500% * 16.0499% (0.80 1.10 0.13) = 16.050% kept HG13 ILE 68 - HN LYS+ 78 12.500% * 6.3197% (0.63 0.55 0.02) = 6.320% kept HG3 LYS+ 81 - HN LYS+ 78 12.500% * 2.8439% (0.60 0.26 0.02) = 2.844% kept HB3 LYS+ 20 - HN LYS+ 78 12.500% * 1.3000% (0.85 0.08 0.02) = 1.300% kept HB3 LEU 17 - HN LYS+ 78 12.500% * 1.0977% (0.71 0.09 0.02) = 1.098% kept QB ALA 11 - HN LYS+ 78 12.500% * 0.3175% (0.87 0.02 0.02) = 0.318% HD3 LYS+ 20 - HN LYS+ 78 12.500% * 0.0933% (0.26 0.02 0.02) = 0.093% Peak 304 (6.73, 7.59, 122.90 ppm): 2 chemical-shift based assignments, quality = 0.701, support = 0.02, residual support = 0.48: * QE TYR 83 - HN LYS+ 78 50.000% * 63.0260% (0.83 0.02 0.75) = 63.026% kept HZ3 TRP 51 - HN LYS+ 78 50.000% * 36.9740% (0.49 0.02 0.02) = 36.974% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 305 (4.76, 8.28, 122.94 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 306 (4.27, 8.28, 122.94 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 307 (4.31, 8.31, 122.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 308 (4.75, 8.31, 122.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 309 (8.22, 8.22, 123.05 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 310 (1.80, 8.22, 123.05 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 311 (8.93, 8.94, 123.00 ppm): 1 diagonal assignment: * HN PHE 21 - HN PHE 21 (0.92) kept Peak 312 (4.70, 8.94, 123.00 ppm): 7 chemical-shift based assignments, quality = 0.568, support = 2.14, residual support = 4.23: * O HA LYS+ 20 - HN PHE 21 14.286% * 76.0705% (0.45 10.0 2.31 4.33) = 76.071% kept HA VAL 99 - HN PHE 21 14.286% * 17.4192% (1.00 1.0 2.06 5.39) = 17.419% kept HA2 GLY 30 - HN PHE 21 14.286% * 3.2212% (0.76 1.0 0.50 0.02) = 3.221% kept HA THR 61 - HN PHE 21 14.286% * 2.1047% (0.94 1.0 0.26 0.02) = 2.105% kept HA GLN 16 - HN PHE 21 14.286% * 1.0005% (0.98 1.0 0.12 0.02) = 1.000% kept HA THR 39 - HN PHE 21 14.286% * 0.1417% (0.83 1.0 0.02 0.02) = 0.142% HA ASN 89 - HN PHE 21 14.286% * 0.0423% (0.25 1.0 0.02 0.02) = 0.042% Peak 313 (1.35, 8.94, 123.00 ppm): 7 chemical-shift based assignments, quality = 0.392, support = 2.95, residual support = 7.25: HB2 ARG+ 22 - HN PHE 21 14.286% * 49.7525% (0.41 3.29 10.51) = 49.753% kept * HB3 LYS+ 20 - HN PHE 21 14.286% * 43.7249% (0.41 2.90 4.33) = 43.725% kept QG2 THR 46 - HN PHE 21 14.286% * 5.1542% (0.15 0.91 2.50) = 5.154% kept HG3 LYS+ 81 - HN PHE 21 14.286% * 0.5335% (0.73 0.02 0.02) = 0.534% HB3 LEU 17 - HN PHE 21 14.286% * 0.4457% (0.61 0.02 0.02) = 0.446% QB ALA 11 - HN PHE 21 14.286% * 0.2758% (0.37 0.02 0.02) = 0.276% HG2 LYS+ 78 - HN PHE 21 14.286% * 0.1134% (0.15 0.02 0.02) = 0.113% Peak 314 (9.29, 8.94, 123.00 ppm): 2 chemical-shift based assignments, quality = 0.804, support = 3.32, residual support = 23.4: * T HN ILE 29 - HN PHE 21 50.000% * 82.6153% (0.76 10.00 3.34 27.92) = 82.615% kept HN LEU 23 - HN PHE 21 50.000% * 17.3847% (1.00 1.00 3.22 1.89) = 17.385% kept Peak 315 (2.74, 8.94, 123.00 ppm): 2 chemical-shift based assignments, quality = 0.729, support = 4.33, residual support = 24.9: * O HB3 PHE 21 - HN PHE 21 50.000% * 98.3279% (0.73 10.0 4.40 25.27) = 98.328% kept HB3 ASP- 115 - HN PHE 21 50.000% * 1.6721% (0.94 1.0 0.26 0.02) = 1.672% kept Peak 316 (6.89, 8.94, 123.00 ppm): 3 chemical-shift based assignments, quality = 0.969, support = 3.46, residual support = 25.0: * QD PHE 21 - HN PHE 21 33.333% * 98.9968% (0.98 3.49 25.27) = 98.997% kept HD21 ASN 119 - HN PHE 21 33.333% * 0.5016% (0.87 0.02 0.10) = 0.502% HD22 ASN 15 - HN PHE 21 33.333% * 0.5016% (0.87 0.02 0.02) = 0.502% Peak 317 (0.98, 8.94, 123.00 ppm): 2 chemical-shift based assignments, quality = 0.263, support = 1.36, residual support = 5.39: QG1 VAL 99 - HN PHE 21 50.000% * 50.0777% (0.28 1.29 5.39) = 50.078% kept * QG2 VAL 99 - HN PHE 21 50.000% * 49.9223% (0.25 1.44 5.39) = 49.922% kept Peak 318 (5.26, 8.94, 123.00 ppm): 1 chemical-shift based assignment, quality = 0.866, support = 2.7, residual support = 25.3: * O HA PHE 21 - HN PHE 21 100.000% *100.0000% (0.87 10.0 2.70 25.27) = 100.000% kept Peak 319 (1.80, 8.20, 122.83 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 320 (8.21, 8.20, 122.83 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 321 (0.86, 8.20, 122.83 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 322 (1.75, 8.36, 122.79 ppm): 8 chemical-shift based assignments, quality = 0.864, support = 0.0898, residual support = 0.07: HD3 PRO 59 - HN LYS+ 108 12.500% * 33.4377% (0.92 0.12 0.17) = 33.438% kept HB ILE 48 - HN LYS+ 108 12.500% * 25.6458% (0.80 0.10 0.02) = 25.646% kept HB3 LEU 23 - HN LYS+ 108 12.500% * 23.8901% (0.92 0.08 0.02) = 23.890% kept HB2 LEU 17 - HN LYS+ 108 12.500% * 6.0854% (0.99 0.02 0.02) = 6.085% kept HB2 LYS+ 117 - HN LYS+ 108 12.500% * 5.8079% (0.95 0.02 0.02) = 5.808% kept HB3 GLU- 18 - HN LYS+ 108 12.500% * 1.8950% (0.31 0.02 0.02) = 1.895% kept HG2 ARG+ 84 - HN LYS+ 108 12.500% * 1.7071% (0.28 0.02 0.02) = 1.707% kept HB2 ARG+ 84 - HN LYS+ 108 12.500% * 1.5310% (0.25 0.02 0.02) = 1.531% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 323 (4.25, 8.36, 122.79 ppm): 20 chemical-shift based assignments, quality = 0.855, support = 2.4, residual support = 9.76: * O HA LYS+ 108 - HN LYS+ 108 5.000% * 51.7472% (0.87 10.0 3.08 13.55) = 51.747% kept O HA GLU- 107 - HN LYS+ 108 5.000% * 44.5201% (0.87 10.0 1.72 5.96) = 44.520% kept HA GLU- 109 - HN LYS+ 108 5.000% * 2.0839% (0.41 1.0 1.70 4.63) = 2.084% kept HA PRO 59 - HN LYS+ 108 5.000% * 1.1418% (1.00 1.0 0.38 0.17) = 1.142% kept HA ALA 11 - HN LYS+ 108 5.000% * 0.0564% (0.95 1.0 0.02 0.02) = 0.056% HA ASN 76 - HN LYS+ 108 5.000% * 0.0535% (0.90 1.0 0.02 0.02) = 0.054% HA ASN 119 - HN LYS+ 108 5.000% * 0.0517% (0.87 1.0 0.02 0.02) = 0.052% HA GLU- 54 - HN LYS+ 108 5.000% * 0.0517% (0.87 1.0 0.02 0.02) = 0.052% HA GLU- 10 - HN LYS+ 108 5.000% * 0.0517% (0.87 1.0 0.02 0.02) = 0.052% HA ALA 42 - HN LYS+ 108 5.000% * 0.0410% (0.69 1.0 0.02 0.02) = 0.041% HA SER 49 - HN LYS+ 108 5.000% * 0.0362% (0.61 1.0 0.02 0.02) = 0.036% HA GLU- 75 - HN LYS+ 108 5.000% * 0.0338% (0.57 1.0 0.02 0.02) = 0.034% HA GLU- 64 - HN LYS+ 108 5.000% * 0.0314% (0.53 1.0 0.02 0.02) = 0.031% HA GLU- 56 - HN LYS+ 108 5.000% * 0.0224% (0.38 1.0 0.02 0.02) = 0.022% HB3 SER 49 - HN LYS+ 108 5.000% * 0.0208% (0.35 1.0 0.02 0.02) = 0.021% HA PRO 52 - HN LYS+ 108 5.000% * 0.0118% (0.20 1.0 0.02 0.02) = 0.012% HA ARG+ 84 - HN LYS+ 108 5.000% * 0.0118% (0.20 1.0 0.02 0.02) = 0.012% HA SER 85 - HN LYS+ 108 5.000% * 0.0118% (0.20 1.0 0.02 0.02) = 0.012% HA VAL 94 - HN LYS+ 108 5.000% * 0.0104% (0.18 1.0 0.02 0.02) = 0.010% HA GLU- 12 - HN LYS+ 108 5.000% * 0.0104% (0.18 1.0 0.02 0.02) = 0.010% Peak 324 (4.74, 8.36, 122.79 ppm): 4 chemical-shift based assignments, quality = 0.349, support = 0.0573, residual support = 0.02: HA THR 39 - HN LYS+ 108 25.000% * 51.7735% (0.25 0.09 0.02) = 51.774% kept HA LYS+ 20 - HN LYS+ 108 25.000% * 27.3507% (0.61 0.02 0.02) = 27.351% kept HA2 GLY 30 - HN LYS+ 108 25.000% * 13.9180% (0.31 0.02 0.02) = 13.918% kept HA THR 61 - HN LYS+ 108 25.000% * 6.9577% (0.15 0.02 0.02) = 6.958% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 325 (1.42, 8.36, 122.79 ppm): 13 chemical-shift based assignments, quality = 0.781, support = 0.0958, residual support = 0.02: QG2 THR 38 - HN LYS+ 108 7.692% * 35.2167% (0.95 0.16 0.02) = 35.217% kept QB ALA 37 - HN LYS+ 108 7.692% * 16.1517% (0.76 0.09 0.02) = 16.152% kept HG13 ILE 100 - HN LYS+ 108 7.692% * 10.2990% (0.53 0.09 0.02) = 10.299% kept HD3 LYS+ 20 - HN LYS+ 108 7.692% * 6.6577% (0.22 0.13 0.02) = 6.658% kept HD3 LYS+ 44 - HN LYS+ 108 7.692% * 4.5900% (1.00 0.02 0.02) = 4.590% kept QB ALA 91 - HN LYS+ 108 7.692% * 4.4992% (0.98 0.02 0.02) = 4.499% kept HD3 LYS+ 113 - HN LYS+ 108 7.692% * 3.9815% (0.87 0.02 0.02) = 3.982% kept HG3 LYS+ 55 - HN LYS+ 108 7.692% * 3.8339% (0.84 0.02 0.02) = 3.834% kept HG3 ARG+ 22 - HN LYS+ 108 7.692% * 3.8339% (0.84 0.02 0.02) = 3.834% kept HG3 LYS+ 113 - HN LYS+ 108 7.692% * 3.5078% (0.76 0.02 0.02) = 3.508% kept HG LEU 67 - HN LYS+ 108 7.692% * 2.5987% (0.57 0.02 0.02) = 2.599% kept HG LEU 90 - HN LYS+ 108 7.692% * 2.4149% (0.53 0.02 0.02) = 2.415% kept QB ALA 93 - HN LYS+ 108 7.692% * 2.4149% (0.53 0.02 0.02) = 2.415% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 326 (8.34, 8.36, 122.79 ppm): 1 diagonal assignment: * HN LYS+ 108 - HN LYS+ 108 (0.61) kept Peak 327 (2.00, 8.36, 122.79 ppm): 16 chemical-shift based assignments, quality = 0.492, support = 2.48, residual support = 12.0: * O HB2 LYS+ 108 - HN LYS+ 108 6.250% * 80.6911% (0.45 10.0 2.47 13.55) = 80.691% kept HB3 GLU- 107 - HN LYS+ 108 6.250% * 17.8670% (0.73 1.0 2.73 5.96) = 17.867% kept HB3 MET 118 - HN LYS+ 108 6.250% * 0.1784% (0.99 1.0 0.02 0.02) = 0.178% HB2 HIS+ 14 - HN LYS+ 108 6.250% * 0.1784% (0.99 1.0 0.02 0.02) = 0.178% HG3 PRO 112 - HN LYS+ 108 6.250% * 0.1737% (0.97 1.0 0.02 0.02) = 0.174% HB2 GLU- 18 - HN LYS+ 108 6.250% * 0.1703% (0.95 1.0 0.02 0.02) = 0.170% HG2 PRO 116 - HN LYS+ 108 6.250% * 0.1375% (0.76 1.0 0.02 0.02) = 0.138% HG2 PRO 112 - HN LYS+ 108 6.250% * 0.0999% (0.55 1.0 0.02 0.02) = 0.100% HB3 PRO 31 - HN LYS+ 108 6.250% * 0.0947% (0.53 1.0 0.02 0.02) = 0.095% HB3 GLU- 10 - HN LYS+ 108 6.250% * 0.0807% (0.45 1.0 0.02 0.02) = 0.081% HB3 GLU- 64 - HN LYS+ 108 6.250% * 0.0807% (0.45 1.0 0.02 0.02) = 0.081% HB3 GLU- 54 - HN LYS+ 108 6.250% * 0.0614% (0.34 1.0 0.02 0.02) = 0.061% HG3 GLU- 64 - HN LYS+ 108 6.250% * 0.0556% (0.31 1.0 0.02 0.02) = 0.056% HB3 GLU- 75 - HN LYS+ 108 6.250% * 0.0529% (0.29 1.0 0.02 0.02) = 0.053% HB2 PRO 86 - HN LYS+ 108 6.250% * 0.0500% (0.28 1.0 0.02 0.02) = 0.050% HB3 GLU- 56 - HN LYS+ 108 6.250% * 0.0278% (0.15 1.0 0.02 0.02) = 0.028% Peak 328 (3.99, 8.43, 122.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 329 (3.06, 8.43, 122.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 330 (0.82, 8.43, 122.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 331 (3.18, 8.43, 122.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 341 (0.87, 8.18, 122.72 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 342 (4.67, 8.11, 122.75 ppm): 15 chemical-shift based assignments, quality = 0.156, support = 0.925, residual support = 0.797: O HA LYS+ 120 - HN CYS 121 6.667% * 92.0893% (0.14 10.0 1.00 0.86) = 92.089% kept HA TYR 83 - HN VAL 122 6.667% * 3.5435% (0.62 1.0 0.09 0.02) = 3.544% kept HA TYR 83 - HN CYS 121 6.667% * 1.2528% (0.21 1.0 0.09 0.02) = 1.253% kept HA PRO 35 - HN VAL 122 6.667% * 0.7601% (0.59 1.0 0.02 0.02) = 0.760% HA ASN 89 - HN VAL 122 6.667% * 0.7206% (0.56 1.0 0.02 0.02) = 0.721% HA LYS+ 120 - HN VAL 122 6.667% * 0.5519% (0.43 1.0 0.02 0.02) = 0.552% HA PRO 35 - HN CYS 121 6.667% * 0.2536% (0.20 1.0 0.02 0.02) = 0.254% HA ASN 89 - HN CYS 121 6.667% * 0.2405% (0.19 1.0 0.02 0.02) = 0.240% HA GLN 16 - HN VAL 122 6.667% * 0.1240% (0.10 1.0 0.02 0.02) = 0.124% HA TYR 83 - HN GLU- 75 6.667% * 0.1144% (0.09 1.0 0.02 0.17) = 0.114% HA PRO 35 - HN GLU- 75 6.667% * 0.1085% (0.08 1.0 0.02 0.02) = 0.108% HA ASN 89 - HN GLU- 75 6.667% * 0.1029% (0.08 1.0 0.02 0.02) = 0.103% HA LYS+ 120 - HN GLU- 75 6.667% * 0.0788% (0.06 1.0 0.02 0.02) = 0.079% HA GLN 16 - HN CYS 121 6.667% * 0.0414% (0.03 1.0 0.02 0.02) = 0.041% HA GLN 16 - HN GLU- 75 6.667% * 0.0177% (0.01 1.0 0.02 0.02) = 0.018% Not enough quality. Peak unassigned. Peak 343 (8.07, 8.07, 122.75 ppm): 3 diagonal assignments: HN CYS 121 - HN CYS 121 (0.69) kept HN GLU- 75 - HN GLU- 75 (0.37) kept * HN VAL 122 - HN VAL 122 (0.19) kept Peak 344 (0.89, 8.11, 122.75 ppm): 27 chemical-shift based assignments, quality = 0.189, support = 0.897, residual support = 0.301: QG2 VAL 40 - HN GLU- 75 3.704% * 29.7179% (0.06 2.12 0.87) = 29.718% kept QD1 LEU 67 - HN GLU- 75 3.704% * 11.6424% (0.05 1.08 0.26) = 11.642% kept QG2 VAL 125 - HN VAL 122 3.704% * 10.6965% (0.59 0.08 0.02) = 10.696% kept QG2 VAL 87 - HN VAL 122 3.704% * 9.6673% (0.43 0.10 0.02) = 9.667% kept HG3 LYS+ 117 - HN GLU- 75 3.704% * 8.3121% (0.04 0.91 0.02) = 8.312% kept QG1 VAL 47 - HN GLU- 75 3.704% * 6.9097% (0.05 0.56 0.02) = 6.910% kept QG2 VAL 125 - HN CYS 121 3.704% * 4.0309% (0.20 0.09 0.02) = 4.031% kept QG1 VAL 80 - HN VAL 122 3.704% * 2.7585% (0.60 0.02 0.02) = 2.758% kept QD1 LEU 67 - HN CYS 121 3.704% * 2.4622% (0.11 0.10 0.02) = 2.462% kept QG2 VAL 40 - HN VAL 122 3.704% * 1.9634% (0.43 0.02 0.02) = 1.963% kept QG1 VAL 47 - HN VAL 122 3.704% * 1.7337% (0.38 0.02 0.02) = 1.734% kept QD1 LEU 67 - HN VAL 122 3.704% * 1.5038% (0.33 0.02 0.02) = 1.504% kept HG3 LYS+ 117 - HN VAL 122 3.704% * 1.2815% (0.28 0.02 0.02) = 1.281% kept QG2 ILE 100 - HN VAL 122 3.704% * 1.0728% (0.23 0.02 0.02) = 1.073% kept QD1 LEU 90 - HN VAL 122 3.704% * 0.9750% (0.21 0.02 0.02) = 0.975% QG1 VAL 80 - HN CYS 121 3.704% * 0.9205% (0.20 0.02 0.02) = 0.920% QG2 VAL 40 - HN CYS 121 3.704% * 0.6552% (0.14 0.02 0.02) = 0.655% QG2 VAL 87 - HN CYS 121 3.704% * 0.6552% (0.14 0.02 0.02) = 0.655% QG1 VAL 47 - HN CYS 121 3.704% * 0.5785% (0.13 0.02 0.02) = 0.578% HG3 LYS+ 117 - HN CYS 121 3.704% * 0.4276% (0.09 0.02 0.02) = 0.428% QG1 VAL 80 - HN GLU- 75 3.704% * 0.3937% (0.09 0.02 0.02) = 0.394% QG2 VAL 125 - HN GLU- 75 3.704% * 0.3859% (0.08 0.02 0.02) = 0.386% QG2 ILE 100 - HN CYS 121 3.704% * 0.3580% (0.08 0.02 0.02) = 0.358% QD1 LEU 90 - HN CYS 121 3.704% * 0.3253% (0.07 0.02 0.02) = 0.325% QG2 VAL 87 - HN GLU- 75 3.704% * 0.2802% (0.06 0.02 0.02) = 0.280% QG2 ILE 100 - HN GLU- 75 3.704% * 0.1531% (0.03 0.02 0.02) = 0.153% QD1 LEU 90 - HN GLU- 75 3.704% * 0.1392% (0.03 0.02 0.39) = 0.139% Not enough quality. Peak unassigned. Peak 345 (1.96, 8.07, 122.75 ppm): 45 chemical-shift based assignments, quality = 0.265, support = 1.58, residual support = 16.4: O HB2 GLU- 75 - HN GLU- 75 2.222% * 67.6574% (0.20 10.0 2.00 24.21) = 67.657% kept HB VAL 13 - HN CYS 121 2.222% * 10.7356% (0.72 1.0 0.87 0.14) = 10.736% kept HB VAL 13 - HN GLU- 75 2.222% * 7.2217% (0.37 1.0 1.13 0.56) = 7.222% kept HB VAL 73 - HN GLU- 75 2.222% * 3.7597% (0.27 1.0 0.80 0.02) = 3.760% kept HB VAL 73 - HN CYS 121 2.222% * 1.6600% (0.53 1.0 0.18 0.02) = 1.660% kept HG2 PRO 112 - HN GLU- 75 2.222% * 1.6312% (0.16 1.0 0.60 0.30) = 1.631% kept HB2 GLU- 75 - HN CYS 121 2.222% * 1.2027% (0.38 1.0 0.18 0.02) = 1.203% kept HB2 PRO 86 - HN VAL 122 2.222% * 1.1729% (0.17 1.0 0.40 0.02) = 1.173% kept HB VAL 73 - HN VAL 122 2.222% * 0.5973% (0.36 1.0 0.10 0.02) = 0.597% HB2 GLU- 75 - HN VAL 122 2.222% * 0.4328% (0.26 1.0 0.10 0.02) = 0.433% HB3 GLU- 109 - HN CYS 121 2.222% * 0.2496% (0.72 1.0 0.02 0.02) = 0.250% HG3 PRO 116 - HN CYS 121 2.222% * 0.2452% (0.71 1.0 0.02 0.02) = 0.245% HB2 PRO 35 - HN CYS 121 2.222% * 0.2366% (0.69 1.0 0.02 0.02) = 0.237% HG3 PRO 31 - HN CYS 121 2.222% * 0.1912% (0.55 1.0 0.02 0.02) = 0.191% HB3 LYS+ 55 - HN CYS 121 2.222% * 0.1816% (0.53 1.0 0.02 0.02) = 0.182% HB3 GLU- 109 - HN VAL 122 2.222% * 0.1703% (0.49 1.0 0.02 0.02) = 0.170% HB VAL 13 - HN VAL 122 2.222% * 0.1691% (0.49 1.0 0.02 0.02) = 0.169% HG3 PRO 116 - HN VAL 122 2.222% * 0.1673% (0.49 1.0 0.02 0.02) = 0.167% HG3 PRO 104 - HN CYS 121 2.222% * 0.1618% (0.47 1.0 0.02 0.02) = 0.162% HB2 PRO 35 - HN VAL 122 2.222% * 0.1614% (0.47 1.0 0.02 0.02) = 0.161% HB3 GLU- 56 - HN CYS 121 2.222% * 0.1316% (0.38 1.0 0.02 0.02) = 0.132% HG3 PRO 31 - HN VAL 122 2.222% * 0.1304% (0.38 1.0 0.02 0.02) = 0.130% HB3 GLU- 109 - HN GLU- 75 2.222% * 0.1285% (0.37 1.0 0.02 0.02) = 0.128% HG3 PRO 116 - HN GLU- 75 2.222% * 0.1262% (0.37 1.0 0.02 0.02) = 0.126% HB3 LYS+ 55 - HN VAL 122 2.222% * 0.1239% (0.36 1.0 0.02 0.02) = 0.124% HB2 PRO 35 - HN GLU- 75 2.222% * 0.1218% (0.35 1.0 0.02 0.02) = 0.122% HG3 PRO 104 - HN VAL 122 2.222% * 0.1104% (0.32 1.0 0.02 0.02) = 0.110% HG2 PRO 112 - HN CYS 121 2.222% * 0.1051% (0.31 1.0 0.02 0.02) = 0.105% HG3 PRO 31 - HN GLU- 75 2.222% * 0.0984% (0.29 1.0 0.02 0.02) = 0.098% HB3 LYS+ 55 - HN GLU- 75 2.222% * 0.0935% (0.27 1.0 0.02 0.02) = 0.093% HB3 GLU- 56 - HN VAL 122 2.222% * 0.0898% (0.26 1.0 0.02 0.02) = 0.090% HB2 PRO 86 - HN CYS 121 2.222% * 0.0853% (0.25 1.0 0.02 0.02) = 0.085% HG3 PRO 104 - HN GLU- 75 2.222% * 0.0833% (0.24 1.0 0.02 0.02) = 0.083% * HG2 PRO 112 - HN VAL 122 2.222% * 0.0717% (0.21 1.0 0.02 0.02) = 0.072% HB3 GLU- 56 - HN GLU- 75 2.222% * 0.0677% (0.20 1.0 0.02 0.02) = 0.068% HB2 PRO 116 - HN CYS 121 2.222% * 0.0624% (0.18 1.0 0.02 0.02) = 0.062% HB2 GLU- 10 - HN CYS 121 2.222% * 0.0624% (0.18 1.0 0.02 0.02) = 0.062% HB2 LYS+ 108 - HN CYS 121 2.222% * 0.0495% (0.14 1.0 0.02 0.02) = 0.050% HB2 PRO 86 - HN GLU- 75 2.222% * 0.0439% (0.13 1.0 0.02 0.02) = 0.044% HB2 PRO 116 - HN VAL 122 2.222% * 0.0426% (0.12 1.0 0.02 0.02) = 0.043% HB2 GLU- 10 - HN VAL 122 2.222% * 0.0426% (0.12 1.0 0.02 0.02) = 0.043% HB2 LYS+ 108 - HN VAL 122 2.222% * 0.0338% (0.10 1.0 0.02 0.02) = 0.034% HB2 PRO 116 - HN GLU- 75 2.222% * 0.0321% (0.09 1.0 0.02 0.02) = 0.032% HB2 GLU- 10 - HN GLU- 75 2.222% * 0.0321% (0.09 1.0 0.02 0.02) = 0.032% HB2 LYS+ 108 - HN GLU- 75 2.222% * 0.0255% (0.07 1.0 0.02 0.02) = 0.025% Reference assignment eliminated. Peak 347 (2.19, 8.07, 122.75 ppm): 33 chemical-shift based assignments, quality = 0.172, support = 2.57, residual support = 17.7: O HB3 GLU- 75 - HN GLU- 75 3.030% * 72.9990% (0.11 10.0 3.42 24.21) = 72.999% kept HG2 PRO 112 - HN GLU- 75 3.030% * 7.5794% (0.37 1.0 0.60 0.30) = 7.579% kept HB2 ASP- 82 - HN CYS 121 3.030% * 5.1602% (0.61 1.0 0.25 0.02) = 5.160% kept HB2 ASP- 82 - HN VAL 122 3.030% * 3.4208% (0.41 1.0 0.24 0.02) = 3.421% kept HG2 MET 126 - HN CYS 121 3.030% * 1.5718% (0.58 1.0 0.08 0.02) = 1.572% kept HB2 ASP- 82 - HN GLU- 75 3.030% * 1.3928% (0.31 1.0 0.13 0.02) = 1.393% kept HB3 GLU- 75 - HN CYS 121 3.030% * 1.2961% (0.21 1.0 0.18 0.02) = 1.296% kept HG2 MET 126 - HN VAL 122 3.030% * 1.2110% (0.40 1.0 0.09 0.02) = 1.211% kept HG2 PRO 112 - HN CYS 121 3.030% * 0.4886% (0.71 1.0 0.02 0.02) = 0.489% HB VAL 99 - HN CYS 121 3.030% * 0.4864% (0.71 1.0 0.02 0.02) = 0.486% HB3 PRO 104 - HN CYS 121 3.030% * 0.4789% (0.70 1.0 0.02 0.02) = 0.479% HB3 GLU- 75 - HN VAL 122 3.030% * 0.4664% (0.14 1.0 0.10 0.02) = 0.466% HG2 GLN 102 - HN CYS 121 3.030% * 0.3973% (0.58 1.0 0.02 0.02) = 0.397% * HG2 PRO 112 - HN VAL 122 3.030% * 0.3333% (0.49 1.0 0.02 0.02) = 0.333% HB VAL 99 - HN VAL 122 3.030% * 0.3318% (0.49 1.0 0.02 0.02) = 0.332% HB3 PRO 104 - HN VAL 122 3.030% * 0.3267% (0.48 1.0 0.02 0.02) = 0.327% HG2 GLN 102 - HN VAL 122 3.030% * 0.2711% (0.40 1.0 0.02 0.02) = 0.271% HB VAL 99 - HN GLU- 75 3.030% * 0.2503% (0.37 1.0 0.02 0.02) = 0.250% HB3 PRO 104 - HN GLU- 75 3.030% * 0.2465% (0.36 1.0 0.02 0.02) = 0.246% HG2 MET 126 - HN GLU- 75 3.030% * 0.2045% (0.30 1.0 0.02 0.02) = 0.204% HG2 GLN 102 - HN GLU- 75 3.030% * 0.2045% (0.30 1.0 0.02 0.55) = 0.204% HG2 PRO 104 - HN CYS 121 3.030% * 0.1693% (0.25 1.0 0.02 0.02) = 0.169% HG2 PRO 104 - HN VAL 122 3.030% * 0.1155% (0.17 1.0 0.02 0.02) = 0.115% HG3 MET 126 - HN CYS 121 3.030% * 0.0982% (0.14 1.0 0.02 0.02) = 0.098% HG2 PRO 104 - HN GLU- 75 3.030% * 0.0871% (0.13 1.0 0.02 0.02) = 0.087% HA1 GLY 58 - HN CYS 121 3.030% * 0.0672% (0.10 1.0 0.02 0.02) = 0.067% HG3 MET 97 - HN CYS 121 3.030% * 0.0672% (0.10 1.0 0.02 0.02) = 0.067% HG3 MET 126 - HN VAL 122 3.030% * 0.0670% (0.10 1.0 0.02 0.02) = 0.067% HG3 MET 126 - HN GLU- 75 3.030% * 0.0505% (0.07 1.0 0.02 0.02) = 0.051% HA1 GLY 58 - HN VAL 122 3.030% * 0.0458% (0.07 1.0 0.02 0.02) = 0.046% HG3 MET 97 - HN VAL 122 3.030% * 0.0458% (0.07 1.0 0.02 0.02) = 0.046% HG3 MET 97 - HN GLU- 75 3.030% * 0.0346% (0.05 1.0 0.02 0.02) = 0.035% HA1 GLY 58 - HN GLU- 75 3.030% * 0.0346% (0.05 1.0 0.02 0.02) = 0.035% Reference assignment eliminated. Peak 348 (1.18, 8.07, 122.75 ppm): 12 chemical-shift based assignments, quality = 0.415, support = 3.19, residual support = 20.9: HB2 LEU 74 - HN GLU- 75 8.333% * 74.7684% (0.37 4.15 27.89) = 74.768% kept HB2 LEU 74 - HN CYS 121 8.333% * 16.0044% (0.72 0.46 0.02) = 16.004% kept HG3 PRO 59 - HN GLU- 75 8.333% * 2.9473% (0.18 0.34 0.22) = 2.947% kept HB2 LEU 74 - HN VAL 122 8.333% * 2.4271% (0.49 0.10 0.02) = 2.427% kept HB2 LEU 43 - HN GLU- 75 8.333% * 1.1356% (0.27 0.09 0.02) = 1.136% kept QG2 THR 106 - HN CYS 121 8.333% * 0.5857% (0.61 0.02 0.02) = 0.586% HB2 LEU 43 - HN CYS 121 8.333% * 0.5091% (0.53 0.02 0.02) = 0.509% QG2 THR 106 - HN VAL 122 8.333% * 0.3995% (0.41 0.02 0.02) = 0.400% HB2 LEU 43 - HN VAL 122 8.333% * 0.3473% (0.36 0.02 0.02) = 0.347% HG3 PRO 59 - HN CYS 121 8.333% * 0.3413% (0.35 0.02 0.02) = 0.341% QG2 THR 106 - HN GLU- 75 8.333% * 0.3014% (0.31 0.02 0.02) = 0.301% HG3 PRO 59 - HN VAL 122 8.333% * 0.2328% (0.24 0.02 0.02) = 0.233% Peak 349 (2.35, 8.07, 122.75 ppm): 21 chemical-shift based assignments, quality = 0.277, support = 0.671, residual support = 0.42: HG3 GLU- 50 - HN GLU- 75 4.762% * 30.4687% (0.31 0.79 0.72) = 30.469% kept HG2 PRO 112 - HN GLU- 75 4.762% * 22.5481% (0.30 0.60 0.30) = 22.548% kept HB3 GLU- 50 - HN GLU- 75 4.762% * 17.4929% (0.09 1.52 0.72) = 17.493% kept HG3 GLU- 50 - HN CYS 121 4.762% * 5.8912% (0.61 0.08 0.02) = 5.891% kept HB3 PRO 86 - HN VAL 122 4.762% * 3.8160% (0.08 0.40 0.02) = 3.816% kept HB2 TYR 83 - HN CYS 121 4.762% * 2.8739% (0.25 0.09 0.02) = 2.874% kept HB2 TYR 83 - HN GLU- 75 4.762% * 2.0625% (0.13 0.13 0.17) = 2.062% kept HB2 TYR 83 - HN VAL 122 4.762% * 1.8505% (0.17 0.09 0.02) = 1.850% kept HB3 GLU- 50 - HN CYS 121 4.762% * 1.7587% (0.18 0.08 0.02) = 1.759% kept HB2 GLU- 64 - HN CYS 121 4.762% * 1.7020% (0.69 0.02 0.02) = 1.702% kept HG3 GLU- 56 - HN CYS 121 4.762% * 1.5028% (0.61 0.02 0.02) = 1.503% kept HG2 PRO 112 - HN CYS 121 4.762% * 1.4535% (0.59 0.02 0.02) = 1.454% kept HB2 GLU- 64 - HN VAL 122 4.762% * 1.1611% (0.47 0.02 0.02) = 1.161% kept HG3 GLU- 50 - HN VAL 122 4.762% * 1.0252% (0.41 0.02 0.02) = 1.025% kept HG3 GLU- 56 - HN VAL 122 4.762% * 1.0252% (0.41 0.02 0.02) = 1.025% kept * HG2 PRO 112 - HN VAL 122 4.762% * 0.9916% (0.40 0.02 0.02) = 0.992% HB2 GLU- 64 - HN GLU- 75 4.762% * 0.8760% (0.35 0.02 0.02) = 0.876% HG3 GLU- 56 - HN GLU- 75 4.762% * 0.7735% (0.31 0.02 0.02) = 0.773% HB3 GLU- 50 - HN VAL 122 4.762% * 0.3061% (0.12 0.02 0.02) = 0.306% HB3 PRO 86 - HN CYS 121 4.762% * 0.2776% (0.11 0.02 0.02) = 0.278% HB3 PRO 86 - HN GLU- 75 4.762% * 0.1429% (0.06 0.02 0.02) = 0.143% Reference assignment eliminated. Peak 353 (1.37, 8.21, 122.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 354 (4.36, 8.21, 122.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 355 (4.78, 8.21, 122.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 359 (1.95, 8.07, 122.58 ppm): 45 chemical-shift based assignments, quality = 0.662, support = 1.81, residual support = 20.7: O HB2 GLU- 75 - HN GLU- 75 2.222% * 85.3207% (0.70 10.0 2.00 24.21) = 85.321% kept HB VAL 13 - HN GLU- 75 2.222% * 4.6757% (0.67 1.0 1.13 0.56) = 4.676% kept HB VAL 13 - HN CYS 121 2.222% * 3.9444% (0.74 1.0 0.87 0.14) = 3.944% kept HB VAL 73 - HN GLU- 75 2.222% * 1.3066% (0.26 1.0 0.80 0.02) = 1.307% kept HG2 PRO 112 - HN GLU- 75 2.222% * 1.1281% (0.31 1.0 0.60 0.30) = 1.128% kept HB2 GLU- 75 - HN CYS 121 2.222% * 0.8607% (0.77 1.0 0.18 0.02) = 0.861% HB ILE 29 - HN GLU- 75 2.222% * 0.4185% (0.22 1.0 0.32 0.02) = 0.418% HB VAL 73 - HN CYS 121 2.222% * 0.3274% (0.29 1.0 0.18 0.02) = 0.327% HB2 GLU- 75 - HN VAL 122 2.222% * 0.2040% (0.35 1.0 0.10 0.02) = 0.204% HG3 PRO 31 - HN CYS 121 2.222% * 0.1048% (0.85 1.0 0.02 0.02) = 0.105% HB3 LYS+ 55 - HN CYS 121 2.222% * 0.1041% (0.85 1.0 0.02 0.02) = 0.104% HB2 PRO 35 - HN CYS 121 2.222% * 0.0993% (0.81 1.0 0.02 0.02) = 0.099% HG3 PRO 31 - HN GLU- 75 2.222% * 0.0950% (0.78 1.0 0.02 0.02) = 0.095% HB3 LYS+ 55 - HN GLU- 75 2.222% * 0.0944% (0.77 1.0 0.02 0.02) = 0.094% HG3 PRO 116 - HN CYS 121 2.222% * 0.0942% (0.77 1.0 0.02 0.02) = 0.094% HB2 PRO 35 - HN GLU- 75 2.222% * 0.0901% (0.73 1.0 0.02 0.02) = 0.090% HG3 PRO 116 - HN GLU- 75 2.222% * 0.0854% (0.70 1.0 0.02 0.02) = 0.085% HB3 GLU- 109 - HN CYS 121 2.222% * 0.0803% (0.65 1.0 0.02 0.02) = 0.080% HB VAL 73 - HN VAL 122 2.222% * 0.0776% (0.13 1.0 0.10 0.02) = 0.078% HB3 GLU- 109 - HN GLU- 75 2.222% * 0.0728% (0.59 1.0 0.02 0.02) = 0.073% HB2 GLU- 10 - HN CYS 121 2.222% * 0.0637% (0.52 1.0 0.02 0.02) = 0.064% HB2 PRO 116 - HN CYS 121 2.222% * 0.0637% (0.52 1.0 0.02 0.02) = 0.064% HB2 GLU- 10 - HN GLU- 75 2.222% * 0.0578% (0.47 1.0 0.02 0.02) = 0.058% HB2 PRO 116 - HN GLU- 75 2.222% * 0.0578% (0.47 1.0 0.02 0.02) = 0.058% HG3 PRO 31 - HN VAL 122 2.222% * 0.0471% (0.38 1.0 0.02 0.02) = 0.047% HB3 LYS+ 55 - HN VAL 122 2.222% * 0.0468% (0.38 1.0 0.02 0.02) = 0.047% HB2 PRO 35 - HN VAL 122 2.222% * 0.0446% (0.36 1.0 0.02 0.02) = 0.045% HG3 PRO 116 - HN VAL 122 2.222% * 0.0423% (0.35 1.0 0.02 0.02) = 0.042% HG2 PRO 112 - HN CYS 121 2.222% * 0.0413% (0.34 1.0 0.02 0.02) = 0.041% HB VAL 13 - HN VAL 122 2.222% * 0.0409% (0.33 1.0 0.02 0.02) = 0.041% HB3 GLU- 109 - HN VAL 122 2.222% * 0.0361% (0.29 1.0 0.02 0.02) = 0.036% HB ILE 29 - HN CYS 121 2.222% * 0.0292% (0.24 1.0 0.02 0.02) = 0.029% HG3 PRO 104 - HN CYS 121 2.222% * 0.0292% (0.24 1.0 0.02 0.02) = 0.029% HB2 GLU- 10 - HN VAL 122 2.222% * 0.0286% (0.23 1.0 0.02 0.02) = 0.029% HB2 PRO 116 - HN VAL 122 2.222% * 0.0286% (0.23 1.0 0.02 0.02) = 0.029% HG3 PRO 104 - HN GLU- 75 2.222% * 0.0265% (0.22 1.0 0.02 0.02) = 0.026% HB3 GLU- 56 - HN CYS 121 2.222% * 0.0208% (0.17 1.0 0.02 0.02) = 0.021% HB3 GLU- 56 - HN GLU- 75 2.222% * 0.0188% (0.15 1.0 0.02 0.02) = 0.019% HG2 PRO 112 - HN VAL 122 2.222% * 0.0185% (0.15 1.0 0.02 0.02) = 0.019% HB2 LEU 23 - HN CYS 121 2.222% * 0.0162% (0.13 1.0 0.02 0.02) = 0.016% HB2 LEU 23 - HN GLU- 75 2.222% * 0.0147% (0.12 1.0 0.02 0.02) = 0.015% HB ILE 29 - HN VAL 122 2.222% * 0.0131% (0.11 1.0 0.02 0.45) = 0.013% HG3 PRO 104 - HN VAL 122 2.222% * 0.0131% (0.11 1.0 0.02 0.02) = 0.013% HB3 GLU- 56 - HN VAL 122 2.222% * 0.0093% (0.08 1.0 0.02 0.02) = 0.009% HB2 LEU 23 - HN VAL 122 2.222% * 0.0073% (0.06 1.0 0.02 0.02) = 0.007% Reference assignment not found: HB3 GLU- 75 - HN GLU- 75 Peak 361 (8.08, 8.07, 122.58 ppm): 3 diagonal assignments: HN CYS 121 - HN CYS 121 (0.84) kept * HN GLU- 75 - HN GLU- 75 (0.78) kept HN VAL 122 - HN VAL 122 (0.17) kept Peak 365 (1.78, 8.17, 122.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 366 (1.17, 8.07, 122.54 ppm): 15 chemical-shift based assignments, quality = 0.702, support = 3.29, residual support = 21.7: HB2 LEU 74 - HN GLU- 75 6.667% * 77.6039% (0.71 4.15 27.89) = 77.604% kept HB2 LEU 74 - HN CYS 121 6.667% * 8.5279% (0.71 0.46 0.02) = 8.528% kept HG3 PRO 59 - HN GLU- 75 6.667% * 7.5744% (0.86 0.34 0.22) = 7.574% kept HB2 LEU 43 - HN GLU- 75 6.667% * 2.1192% (0.93 0.09 0.02) = 2.119% kept HB2 LEU 74 - HN VAL 122 6.667% * 1.0373% (0.39 0.10 0.02) = 1.037% kept HB2 LEU 43 - HN CYS 121 6.667% * 0.4878% (0.93 0.02 0.02) = 0.488% QG2 THR 106 - HN GLU- 75 6.667% * 0.4793% (0.91 0.02 0.02) = 0.479% QG2 THR 106 - HN CYS 121 6.667% * 0.4781% (0.91 0.02 0.02) = 0.478% HG3 PRO 59 - HN CYS 121 6.667% * 0.4503% (0.86 0.02 0.02) = 0.450% HB2 LEU 43 - HN VAL 122 6.667% * 0.2669% (0.51 0.02 0.02) = 0.267% QG2 THR 106 - HN VAL 122 6.667% * 0.2616% (0.50 0.02 0.02) = 0.262% HG3 PRO 59 - HN VAL 122 6.667% * 0.2464% (0.47 0.02 0.02) = 0.246% QB ALA 33 - HN GLU- 75 6.667% * 0.1835% (0.35 0.02 0.02) = 0.184% QB ALA 33 - HN CYS 121 6.667% * 0.1831% (0.35 0.02 0.02) = 0.183% QB ALA 33 - HN VAL 122 6.667% * 0.1002% (0.19 0.02 0.02) = 0.100% Peak 367 (3.93, 8.07, 122.54 ppm): 12 chemical-shift based assignments, quality = 0.555, support = 4.17, residual support = 26.4: * O HA LEU 74 - HN GLU- 75 8.333% * 94.6537% (0.57 10.0 4.38 27.89) = 94.654% kept HA LEU 74 - HN CYS 121 8.333% * 3.6166% (0.56 1.0 0.77 0.02) = 3.617% kept HA LEU 74 - HN VAL 122 8.333% * 0.9903% (0.31 1.0 0.38 0.02) = 0.990% HB THR 96 - HN GLU- 75 8.333% * 0.1506% (0.90 1.0 0.02 0.02) = 0.151% HB THR 96 - HN CYS 121 8.333% * 0.1502% (0.90 1.0 0.02 0.02) = 0.150% HB THR 96 - HN VAL 122 8.333% * 0.0822% (0.49 1.0 0.02 0.02) = 0.082% HA1 GLY 114 - HN GLU- 75 8.333% * 0.0760% (0.45 1.0 0.02 0.02) = 0.076% HA1 GLY 114 - HN CYS 121 8.333% * 0.0758% (0.45 1.0 0.02 0.02) = 0.076% HB2 SER 77 - HN GLU- 75 8.333% * 0.0642% (0.38 1.0 0.02 0.02) = 0.064% HB2 SER 77 - HN CYS 121 8.333% * 0.0640% (0.38 1.0 0.02 0.02) = 0.064% HA1 GLY 114 - HN VAL 122 8.333% * 0.0415% (0.25 1.0 0.02 0.02) = 0.041% HB2 SER 77 - HN VAL 122 8.333% * 0.0350% (0.21 1.0 0.02 0.02) = 0.035% Peak 368 (4.42, 8.07, 122.54 ppm): 30 chemical-shift based assignments, quality = 0.658, support = 0.159, residual support = 0.089: HA HIS+ 14 - HN GLU- 75 3.333% * 18.3615% (0.86 0.22 0.13) = 18.362% kept HA PRO 112 - HN GLU- 75 3.333% * 17.7009% (0.60 0.30 0.30) = 17.701% kept HA HIS+ 14 - HN CYS 121 3.333% * 17.3698% (0.86 0.21 0.02) = 17.370% kept HA PRO 86 - HN CYS 121 3.333% * 7.1032% (0.74 0.10 0.02) = 7.103% kept HA LYS+ 111 - HN GLU- 75 3.333% * 5.9436% (0.64 0.10 0.02) = 5.944% kept HA HIS+ 14 - HN VAL 122 3.333% * 4.9450% (0.47 0.11 0.02) = 4.945% kept HA LYS+ 66 - HN VAL 122 3.333% * 4.8373% (0.51 0.10 0.02) = 4.837% kept HA PRO 86 - HN VAL 122 3.333% * 3.6149% (0.41 0.09 0.02) = 3.615% kept HA LYS+ 66 - HN GLU- 75 3.333% * 1.8062% (0.93 0.02 0.02) = 1.806% kept HA LYS+ 66 - HN CYS 121 3.333% * 1.8016% (0.93 0.02 0.02) = 1.802% kept HA PRO 86 - HN GLU- 75 3.333% * 1.4463% (0.75 0.02 0.02) = 1.446% kept HA PRO 116 - HN GLU- 75 3.333% * 1.3116% (0.68 0.02 0.02) = 1.312% kept HA PRO 116 - HN CYS 121 3.333% * 1.3083% (0.67 0.02 0.02) = 1.308% kept HA LYS+ 111 - HN CYS 121 3.333% * 1.2376% (0.64 0.02 0.02) = 1.238% kept HB THR 24 - HN GLU- 75 3.333% * 1.1685% (0.60 0.02 0.02) = 1.168% kept HA PRO 112 - HN CYS 121 3.333% * 1.1655% (0.60 0.02 0.02) = 1.165% kept HB THR 24 - HN CYS 121 3.333% * 1.1655% (0.60 0.02 0.02) = 1.165% kept HA PRO 104 - HN GLU- 75 3.333% * 0.8098% (0.42 0.02 0.02) = 0.810% HA PRO 104 - HN CYS 121 3.333% * 0.8077% (0.42 0.02 0.02) = 0.808% HA PRO 116 - HN VAL 122 3.333% * 0.7159% (0.37 0.02 0.02) = 0.716% HA LYS+ 111 - HN VAL 122 3.333% * 0.6772% (0.35 0.02 0.02) = 0.677% HA PRO 112 - HN VAL 122 3.333% * 0.6378% (0.33 0.02 0.02) = 0.638% HB THR 24 - HN VAL 122 3.333% * 0.6378% (0.33 0.02 0.02) = 0.638% HA THR 95 - HN GLU- 75 3.333% * 0.6161% (0.32 0.02 0.02) = 0.616% HA THR 95 - HN CYS 121 3.333% * 0.6146% (0.32 0.02 0.02) = 0.615% HA ASN 57 - HN GLU- 75 3.333% * 0.5575% (0.29 0.02 0.02) = 0.557% HA ASN 57 - HN CYS 121 3.333% * 0.5561% (0.29 0.02 0.02) = 0.556% HA PRO 104 - HN VAL 122 3.333% * 0.4420% (0.23 0.02 0.02) = 0.442% HA THR 95 - HN VAL 122 3.333% * 0.3363% (0.17 0.02 0.02) = 0.336% HA ASN 57 - HN VAL 122 3.333% * 0.3043% (0.16 0.02 0.02) = 0.304% Not enough support, support cutoff is 0.27 Peak unassigned. Peak 372 (0.87, 8.07, 122.54 ppm): 24 chemical-shift based assignments, quality = 0.27, support = 1.13, residual support = 0.461: QG2 VAL 40 - HN GLU- 75 4.167% * 42.9419% (0.21 2.12 0.87) = 42.942% kept QG2 VAL 13 - HN GLU- 75 4.167% * 10.6684% (0.14 0.76 0.56) = 10.668% kept QG2 VAL 13 - HN CYS 121 4.167% * 10.2444% (0.14 0.73 0.14) = 10.244% kept QG1 VAL 47 - HN GLU- 75 4.167% * 8.8949% (0.16 0.56 0.02) = 8.895% kept QG2 VAL 125 - HN CYS 121 4.167% * 7.0312% (0.81 0.09 0.02) = 7.031% kept QG2 VAL 125 - HN VAL 122 4.167% * 3.4068% (0.44 0.08 0.02) = 3.407% kept QG2 VAL 13 - HN VAL 122 4.167% * 1.9105% (0.08 0.25 0.02) = 1.910% kept QG2 ILE 100 - HN GLU- 75 4.167% * 1.5778% (0.81 0.02 0.02) = 1.578% kept QG2 VAL 125 - HN GLU- 75 4.167% * 1.5778% (0.81 0.02 0.02) = 1.578% kept QG2 ILE 100 - HN CYS 121 4.167% * 1.5738% (0.81 0.02 0.02) = 1.574% kept QD1 LEU 90 - HN GLU- 75 4.167% * 1.5193% (0.78 0.02 0.39) = 1.519% kept QD1 LEU 90 - HN CYS 121 4.167% * 1.5154% (0.78 0.02 0.02) = 1.515% kept QG2 VAL 87 - HN VAL 122 4.167% * 1.0883% (0.11 0.10 0.02) = 1.088% kept QG1 VAL 80 - HN GLU- 75 4.167% * 0.9570% (0.49 0.02 0.02) = 0.957% QG1 VAL 80 - HN CYS 121 4.167% * 0.9545% (0.49 0.02 0.02) = 0.955% QG2 ILE 100 - HN VAL 122 4.167% * 0.8612% (0.44 0.02 0.02) = 0.861% QD1 LEU 90 - HN VAL 122 4.167% * 0.8292% (0.42 0.02 0.02) = 0.829% QG1 VAL 80 - HN VAL 122 4.167% * 0.5223% (0.27 0.02 0.02) = 0.522% QG2 VAL 87 - HN GLU- 75 4.167% * 0.4050% (0.21 0.02 0.02) = 0.405% QG2 VAL 40 - HN CYS 121 4.167% * 0.4039% (0.21 0.02 0.02) = 0.404% QG2 VAL 87 - HN CYS 121 4.167% * 0.4039% (0.21 0.02 0.02) = 0.404% QG1 VAL 47 - HN CYS 121 4.167% * 0.3177% (0.16 0.02 0.02) = 0.318% QG2 VAL 40 - HN VAL 122 4.167% * 0.2210% (0.11 0.02 0.02) = 0.221% QG1 VAL 47 - HN VAL 122 4.167% * 0.1739% (0.09 0.02 0.02) = 0.174% Peak 376 (1.37, 8.20, 122.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 377 (4.78, 8.20, 122.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 378 (4.36, 8.20, 122.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 379 (8.70, 8.71, 122.58 ppm): 1 diagonal assignment: * HN VAL 40 - HN VAL 40 (0.86) kept Peak 380 (2.47, 8.71, 122.58 ppm): 5 chemical-shift based assignments, quality = 0.518, support = 3.51, residual support = 42.9: * O HB VAL 40 - HN VAL 40 20.000% * 99.5997% (0.52 10.0 3.52 43.10) = 99.600% kept HG3 GLU- 45 - HN VAL 40 20.000% * 0.1581% (0.83 1.0 0.02 0.02) = 0.158% HG2 PRO 112 - HN VAL 40 20.000% * 0.0865% (0.45 1.0 0.02 0.02) = 0.087% HG3 MET 118 - HN VAL 40 20.000% * 0.0778% (0.41 1.0 0.02 0.02) = 0.078% HG3 PRO 35 - HN VAL 40 20.000% * 0.0778% (0.41 1.0 0.02 0.02) = 0.078% Peak 381 (0.88, 8.71, 122.58 ppm): 9 chemical-shift based assignments, quality = 0.499, support = 2.84, residual support = 29.8: * QG2 VAL 40 - HN VAL 40 11.111% * 69.1499% (0.44 3.92 43.10) = 69.150% kept QG1 VAL 80 - HN VAL 40 11.111% * 16.8651% (0.79 0.54 0.12) = 16.865% kept QG2 ILE 100 - HN VAL 40 11.111% * 7.6156% (0.60 0.32 0.02) = 7.616% kept QD1 LEU 67 - HN VAL 40 11.111% * 3.3291% (0.31 0.27 0.02) = 3.329% kept HG3 LYS+ 117 - HN VAL 40 11.111% * 1.1637% (0.25 0.12 0.02) = 1.164% kept QG2 VAL 125 - HN VAL 40 11.111% * 0.7842% (0.99 0.02 0.02) = 0.784% QD1 LEU 90 - HN VAL 40 11.111% * 0.4450% (0.56 0.02 0.02) = 0.445% QG2 VAL 87 - HN VAL 40 11.111% * 0.3524% (0.44 0.02 0.02) = 0.352% QG1 VAL 47 - HN VAL 40 11.111% * 0.2950% (0.37 0.02 0.02) = 0.295% Peak 382 (4.73, 8.71, 122.58 ppm): 6 chemical-shift based assignments, quality = 0.556, support = 1.25, residual support = 2.93: * O HA THR 39 - HN VAL 40 16.667% * 99.3187% (0.56 10.0 1.25 2.95) = 99.319% kept HA LYS+ 20 - HN VAL 40 16.667% * 0.2583% (0.91 1.0 0.02 0.02) = 0.258% HA2 GLY 30 - HN VAL 40 16.667% * 0.1810% (0.64 1.0 0.02 0.02) = 0.181% HA THR 61 - HN VAL 40 16.667% * 0.1151% (0.41 1.0 0.02 0.02) = 0.115% HA VAL 99 - HN VAL 40 16.667% * 0.0778% (0.27 1.0 0.02 0.02) = 0.078% HA GLN 16 - HN VAL 40 16.667% * 0.0490% (0.17 1.0 0.02 0.22) = 0.049% Peak 383 (3.43, 8.71, 122.58 ppm): 4 chemical-shift based assignments, quality = 0.193, support = 4.13, residual support = 41.4: * O HA VAL 40 - HN VAL 40 25.000% * 95.9593% (0.20 10.0 4.28 43.10) = 95.959% kept HA VAL 80 - HN VAL 40 25.000% * 3.2989% (0.17 1.0 0.78 0.12) = 3.299% kept HA ILE 48 - HN VAL 40 25.000% * 0.4476% (0.91 1.0 0.02 0.02) = 0.448% HA VAL 62 - HN VAL 40 25.000% * 0.2941% (0.60 1.0 0.02 0.02) = 0.294% Peak 384 (8.16, 8.71, 122.58 ppm): 4 chemical-shift based assignments, quality = 0.974, support = 3.97, residual support = 23.3: * T HN SER 41 - HN VAL 40 25.000% * 94.9938% (0.99 10.00 4.13 24.52) = 94.994% kept HN GLN 16 - HN VAL 40 25.000% * 4.1893% (0.83 1.00 1.06 0.22) = 4.189% kept HN ALA 33 - HN VAL 40 25.000% * 0.4660% (0.15 1.00 0.64 0.38) = 0.466% HN SER 77 - HN VAL 40 25.000% * 0.3509% (0.68 1.00 0.11 0.31) = 0.351% Peak 385 (0.71, 8.71, 122.58 ppm): 14 chemical-shift based assignments, quality = 0.615, support = 3.08, residual support = 29.0: * QG1 VAL 40 - HN VAL 40 7.143% * 67.0003% (0.52 4.35 43.10) = 67.000% kept QG2 ILE 101 - HN VAL 40 7.143% * 17.5433% (0.90 0.66 0.59) = 17.543% kept QG2 THR 96 - HN VAL 40 7.143% * 12.1730% (0.89 0.46 0.02) = 12.173% kept QD1 ILE 19 - HN VAL 40 7.143% * 0.6810% (0.27 0.08 0.02) = 0.681% HG LEU 74 - HN VAL 40 7.143% * 0.5408% (0.91 0.02 11.48) = 0.541% QG2 ILE 48 - HN VAL 40 7.143% * 0.5015% (0.85 0.02 0.02) = 0.501% QG1 VAL 65 - HN VAL 40 7.143% * 0.4254% (0.72 0.02 0.02) = 0.425% QD1 ILE 68 - HN VAL 40 7.143% * 0.2852% (0.48 0.02 0.02) = 0.285% QG2 VAL 65 - HN VAL 40 7.143% * 0.2409% (0.41 0.02 0.02) = 0.241% QG2 VAL 94 - HN VAL 40 7.143% * 0.1304% (0.22 0.02 0.02) = 0.130% QG2 ILE 68 - HN VAL 40 7.143% * 0.1304% (0.22 0.02 0.02) = 0.130% HG12 ILE 19 - HN VAL 40 7.143% * 0.1159% (0.20 0.02 0.02) = 0.116% HG3 LYS+ 44 - HN VAL 40 7.143% * 0.1159% (0.20 0.02 0.30) = 0.116% HG3 LYS+ 66 - HN VAL 40 7.143% * 0.1159% (0.20 0.02 0.02) = 0.116% Peak 386 (4.95, 8.71, 122.58 ppm): 4 chemical-shift based assignments, quality = 0.913, support = 0.277, residual support = 0.441: HA ILE 101 - HN VAL 40 25.000% * 72.0329% (0.95 0.35 0.59) = 72.033% kept HA HIS+ 98 - HN VAL 40 25.000% * 18.8009% (0.95 0.09 0.02) = 18.801% kept HA MET 97 - HN VAL 40 25.000% * 5.6345% (0.31 0.09 0.02) = 5.635% kept HA ALA 33 - HN VAL 40 25.000% * 3.5317% (0.83 0.02 0.38) = 3.532% kept Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 387 (8.25, 8.27, 122.56 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 388 (4.83, 8.27, 122.56 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 389 (4.74, 8.27, 122.56 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 391 (2.23, 8.43, 122.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 392 (1.55, 8.43, 122.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 393 (2.02, 8.43, 122.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 394 (1.40, 8.43, 122.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 395 (1.89, 8.43, 122.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 396 (0.82, 8.43, 122.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 400 (1.75, 8.48, 122.19 ppm): 9 chemical-shift based assignments, quality = 0.743, support = 0.385, residual support = 0.272: HD3 PRO 59 - HN LYS+ 113 11.111% * 38.3982% (0.88 0.47 0.02) = 38.398% kept HB3 LEU 23 - HN LYS+ 113 11.111% * 32.5138% (0.71 0.49 0.80) = 32.514% kept HB3 GLU- 18 - HN LYS+ 113 11.111% * 9.6656% (0.40 0.26 0.02) = 9.666% kept HB2 LEU 17 - HN LYS+ 113 11.111% * 9.2188% (0.88 0.11 0.02) = 9.219% kept HB ILE 48 - HN LYS+ 113 11.111% * 7.1544% (0.58 0.13 0.02) = 7.154% kept HB2 LYS+ 117 - HN LYS+ 113 11.111% * 1.3809% (0.74 0.02 0.02) = 1.381% kept HG2 ARG+ 84 - HN LYS+ 113 11.111% * 0.6797% (0.37 0.02 0.02) = 0.680% HB2 ARG+ 84 - HN LYS+ 113 11.111% * 0.6205% (0.33 0.02 0.02) = 0.620% HG3 ARG+ 53 - HN LYS+ 113 11.111% * 0.3681% (0.20 0.02 0.02) = 0.368% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 401 (4.40, 8.48, 122.19 ppm): 14 chemical-shift based assignments, quality = 0.81, support = 1.24, residual support = 3.8: * O HA PRO 112 - HN LYS+ 113 7.143% * 97.7025% (0.82 10.0 1.27 3.89) = 97.702% kept HA HIS+ 14 - HN LYS+ 113 7.143% * 1.0672% (0.58 1.0 0.20 0.02) = 1.067% kept HA PRO 104 - HN LYS+ 113 7.143% * 0.1665% (0.89 1.0 0.02 0.02) = 0.167% HA THR 95 - HN LYS+ 113 7.143% * 0.1654% (0.88 1.0 0.02 0.02) = 0.165% HA ASN 57 - HN LYS+ 113 7.143% * 0.1636% (0.87 1.0 0.02 0.02) = 0.164% HA PRO 116 - HN LYS+ 113 7.143% * 0.1448% (0.77 1.0 0.02 0.02) = 0.145% HA PRO 86 - HN LYS+ 113 7.143% * 0.1336% (0.71 1.0 0.02 0.02) = 0.134% HA SER 88 - HN LYS+ 113 7.143% * 0.1146% (0.61 1.0 0.02 0.02) = 0.115% HA ALA 91 - HN LYS+ 113 7.143% * 0.0945% (0.50 1.0 0.02 0.02) = 0.094% HA LYS+ 66 - HN LYS+ 113 7.143% * 0.0686% (0.37 1.0 0.02 0.02) = 0.069% HA SER 27 - HN LYS+ 113 7.143% * 0.0569% (0.30 1.0 0.02 0.02) = 0.057% HA ALA 37 - HN LYS+ 113 7.143% * 0.0515% (0.28 1.0 0.02 0.02) = 0.052% HA LYS+ 60 - HN LYS+ 113 7.143% * 0.0372% (0.20 1.0 0.02 0.02) = 0.037% HA TRP 51 - HN LYS+ 113 7.143% * 0.0330% (0.18 1.0 0.02 0.14) = 0.033% Peak 402 (2.27, 8.48, 122.19 ppm): 12 chemical-shift based assignments, quality = 0.831, support = 2.71, residual support = 3.8: * O HB3 PRO 112 - HN LYS+ 113 8.333% * 82.4228% (0.83 10.0 2.61 3.89) = 82.423% kept HG2 PRO 112 - HN LYS+ 113 8.333% * 15.3489% (0.87 1.0 3.55 3.89) = 15.349% kept HG3 GLU- 75 - HN LYS+ 113 8.333% * 1.7900% (0.88 1.0 0.41 0.02) = 1.790% kept HB VAL 80 - HN LYS+ 113 8.333% * 0.0888% (0.89 1.0 0.02 0.02) = 0.089% HB3 LYS+ 117 - HN LYS+ 113 8.333% * 0.0880% (0.88 1.0 0.02 0.02) = 0.088% HG3 GLU- 54 - HN LYS+ 113 8.333% * 0.0742% (0.74 1.0 0.02 0.02) = 0.074% HG3 GLU- 107 - HN LYS+ 113 8.333% * 0.0679% (0.68 1.0 0.02 0.02) = 0.068% HB2 LYS+ 44 - HN LYS+ 113 8.333% * 0.0467% (0.47 1.0 0.02 0.02) = 0.047% HB3 ASN 15 - HN LYS+ 113 8.333% * 0.0274% (0.28 1.0 0.02 0.97) = 0.027% HG3 GLU- 10 - HN LYS+ 113 8.333% * 0.0176% (0.18 1.0 0.02 0.02) = 0.018% HG3 GLN 16 - HN LYS+ 113 8.333% * 0.0156% (0.16 1.0 0.02 0.02) = 0.016% HB3 GLU- 45 - HN LYS+ 113 8.333% * 0.0120% (0.12 1.0 0.02 0.02) = 0.012% Peak 404 (4.79, 8.45, 122.40 ppm): 4 chemical-shift based assignments, quality = 0.208, support = 0.632, residual support = 0.713: HA LEU 23 - HN LYS+ 113 25.000% * 57.1707% (0.24 0.77 0.80) = 57.171% kept HA ASN 15 - HN LYS+ 113 25.000% * 26.2312% (0.19 0.46 0.97) = 26.231% kept HA GLU- 18 - HN LYS+ 113 25.000% * 15.9336% (0.12 0.44 0.02) = 15.934% kept HB THR 39 - HN LYS+ 113 25.000% * 0.6645% (0.11 0.02 0.02) = 0.665% Peak 407 (4.30, 8.45, 122.40 ppm): 13 chemical-shift based assignments, quality = 0.193, support = 0.0432, residual support = 0.02: HA ILE 29 - HN LYS+ 113 7.692% * 29.2248% (0.21 0.08 0.02) = 29.225% kept HA ASP- 36 - HN LYS+ 113 7.692% * 10.1635% (0.29 0.02 0.02) = 10.164% kept HA CYS 121 - HN LYS+ 113 7.692% * 9.1352% (0.26 0.02 0.02) = 9.135% kept HA THR 106 - HN LYS+ 113 7.692% * 8.8357% (0.25 0.02 0.02) = 8.836% kept HB3 CYS 121 - HN LYS+ 113 7.692% * 7.7845% (0.22 0.02 0.02) = 7.785% kept HA GLU- 56 - HN LYS+ 113 7.692% * 7.1317% (0.04 0.10 0.02) = 7.132% kept HA LEU 90 - HN LYS+ 113 7.692% * 5.7669% (0.17 0.02 0.02) = 5.767% kept HA ALA 93 - HN LYS+ 113 7.692% * 5.3591% (0.15 0.02 0.02) = 5.359% kept HA VAL 122 - HN LYS+ 113 7.692% * 4.9581% (0.14 0.02 0.02) = 4.958% kept HA VAL 94 - HN LYS+ 113 7.692% * 3.1439% (0.09 0.02 0.02) = 3.144% kept HA PRO 52 - HN LYS+ 113 7.692% * 2.8321% (0.08 0.02 0.02) = 2.832% kept HA SER 85 - HN LYS+ 113 7.692% * 2.8321% (0.08 0.02 0.02) = 2.832% kept HA ARG+ 84 - HN LYS+ 113 7.692% * 2.8321% (0.08 0.02 0.02) = 2.832% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 408 (4.25, 8.43, 122.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 409 (8.42, 8.43, 122.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 412 (7.81, 7.81, 122.18 ppm): 1 diagonal assignment: * HN LYS+ 55 - HN LYS+ 55 (0.99) kept Peak 413 (1.76, 7.81, 122.18 ppm): 11 chemical-shift based assignments, quality = 0.682, support = 0.766, residual support = 0.0834: HB2 LEU 17 - HN LYS+ 55 9.091% * 22.0185% (0.94 0.67 0.02) = 22.018% kept HG3 ARG+ 53 - HN LYS+ 55 9.091% * 20.1051% (0.31 1.87 0.34) = 20.105% kept HD3 PRO 59 - HN LYS+ 55 9.091% * 16.7094% (0.99 0.48 0.02) = 16.709% kept HB3 LEU 23 - HN LYS+ 55 9.091% * 11.1004% (0.68 0.46 0.02) = 11.100% kept HB2 LYS+ 117 - HN LYS+ 55 9.091% * 10.3953% (0.72 0.41 0.02) = 10.395% kept HG2 ARG+ 84 - HN LYS+ 55 9.091% * 8.8465% (0.52 0.48 0.02) = 8.846% kept HB3 GLU- 18 - HN LYS+ 55 9.091% * 4.9966% (0.56 0.25 0.02) = 4.997% kept HB2 ARG+ 84 - HN LYS+ 55 9.091% * 4.0337% (0.48 0.24 0.02) = 4.034% kept HG2 PRO 31 - HN LYS+ 55 9.091% * 1.2901% (0.17 0.21 0.02) = 1.290% kept HB ILE 48 - HN LYS+ 55 9.091% * 0.3664% (0.52 0.02 0.02) = 0.366% HG3 LYS+ 63 - HN LYS+ 55 9.091% * 0.1378% (0.20 0.02 0.72) = 0.138% Reference assignment not found: HB3 LYS+ 55 - HN LYS+ 55 Peak 414 (9.07, 7.81, 122.18 ppm): 2 chemical-shift based assignments, quality = 0.959, support = 3.02, residual support = 12.2: * T HN GLU- 54 - HN LYS+ 55 50.000% * 99.9072% (0.96 10.00 3.02 12.25) = 99.907% kept HN LYS+ 66 - HN LYS+ 55 50.000% * 0.0928% (0.89 1.00 0.02 0.02) = 0.093% Peak 415 (1.93, 7.81, 122.18 ppm): 15 chemical-shift based assignments, quality = 0.581, support = 3.88, residual support = 12.9: O HB3 LYS+ 55 - HN LYS+ 55 6.667% * 90.1649% (0.60 10.0 4.24 14.29) = 90.165% kept HG2 PRO 112 - HN LYS+ 55 6.667% * 2.9731% (0.35 1.0 1.15 0.68) = 2.973% kept HB2 PRO 112 - HN LYS+ 55 6.667% * 1.9882% (0.39 1.0 0.68 0.68) = 1.988% kept HB2 LEU 23 - HN LYS+ 55 6.667% * 1.8357% (0.72 1.0 0.34 0.02) = 1.836% kept HD3 LYS+ 63 - HN LYS+ 55 6.667% * 1.2586% (0.45 1.0 0.38 0.72) = 1.259% kept HG3 PRO 31 - HN LYS+ 55 6.667% * 0.8902% (0.56 1.0 0.21 0.02) = 0.890% HB3 GLN 102 - HN LYS+ 55 6.667% * 0.1872% (0.28 1.0 0.09 0.02) = 0.187% HB2 GLU- 10 - HN LYS+ 55 6.667% * 0.1473% (0.99 1.0 0.02 0.02) = 0.147% HB2 PRO 116 - HN LYS+ 55 6.667% * 0.1473% (0.99 1.0 0.02 0.02) = 0.147% HB ILE 29 - HN LYS+ 55 6.667% * 0.1333% (0.89 1.0 0.02 0.02) = 0.133% HB2 GLU- 75 - HN LYS+ 55 6.667% * 0.1190% (0.80 1.0 0.02 0.02) = 0.119% HB2 PRO 35 - HN LYS+ 55 6.667% * 0.0507% (0.34 1.0 0.02 0.02) = 0.051% HG3 PRO 116 - HN LYS+ 55 6.667% * 0.0413% (0.28 1.0 0.02 0.02) = 0.041% HB VAL 13 - HN LYS+ 55 6.667% * 0.0371% (0.25 1.0 0.02 0.02) = 0.037% HB3 GLU- 109 - HN LYS+ 55 6.667% * 0.0260% (0.17 1.0 0.02 0.02) = 0.026% Peak 416 (4.50, 7.81, 122.18 ppm): 7 chemical-shift based assignments, quality = 0.907, support = 4.16, residual support = 14.0: * O HA LYS+ 55 - HN LYS+ 55 14.286% * 97.9543% (0.92 10.0 4.24 14.29) = 97.954% kept HB THR 46 - HN LYS+ 55 14.286% * 1.0804% (0.64 1.0 0.31 0.02) = 1.080% kept HA LYS+ 32 - HN LYS+ 55 14.286% * 0.6709% (0.31 1.0 0.41 1.22) = 0.671% HB THR 79 - HN LYS+ 55 14.286% * 0.1059% (0.99 1.0 0.02 0.02) = 0.106% HA CYS 123 - HN LYS+ 55 14.286% * 0.0850% (0.80 1.0 0.02 0.02) = 0.085% HA SER 77 - HN LYS+ 55 14.286% * 0.0850% (0.80 1.0 0.02 0.02) = 0.085% HA MET 126 - HN LYS+ 55 14.286% * 0.0186% (0.17 1.0 0.02 0.02) = 0.019% Peak 417 (4.23, 7.81, 122.18 ppm): 14 chemical-shift based assignments, quality = 0.877, support = 2.96, residual support = 12.0: * O HA GLU- 54 - HN LYS+ 55 7.143% * 98.2576% (0.89 10.0 3.01 12.25) = 98.258% kept HA PRO 59 - HN LYS+ 55 7.143% * 0.9200% (0.64 1.0 0.26 0.02) = 0.920% HA SER 49 - HN LYS+ 55 7.143% * 0.1096% (1.00 1.0 0.02 0.02) = 0.110% HA ALA 42 - HN LYS+ 55 7.143% * 0.1086% (0.99 1.0 0.02 0.02) = 0.109% HA GLU- 109 - HN LYS+ 55 7.143% * 0.1036% (0.94 1.0 0.02 0.02) = 0.104% HA GLU- 10 - HN LYS+ 55 7.143% * 0.0983% (0.89 1.0 0.02 0.02) = 0.098% HA LYS+ 108 - HN LYS+ 55 7.143% * 0.0983% (0.89 1.0 0.02 0.02) = 0.098% HA GLU- 12 - HN LYS+ 55 7.143% * 0.0753% (0.68 1.0 0.02 0.02) = 0.075% HB3 SER 49 - HN LYS+ 55 7.143% * 0.0514% (0.47 1.0 0.02 0.02) = 0.051% HA ALA 11 - HN LYS+ 55 7.143% * 0.0450% (0.41 1.0 0.02 0.02) = 0.045% HA ASN 76 - HN LYS+ 55 7.143% * 0.0374% (0.34 1.0 0.02 0.02) = 0.037% HA ASN 119 - HN LYS+ 55 7.143% * 0.0338% (0.31 1.0 0.02 0.02) = 0.034% HA GLU- 107 - HN LYS+ 55 7.143% * 0.0338% (0.31 1.0 0.02 0.02) = 0.034% HA ASP- 82 - HN LYS+ 55 7.143% * 0.0273% (0.25 1.0 0.02 0.12) = 0.027% Peak 418 (2.19, 7.81, 122.18 ppm): 12 chemical-shift based assignments, quality = 0.841, support = 0.905, residual support = 0.462: HG2 PRO 112 - HN LYS+ 55 8.333% * 63.4535% (0.98 1.15 0.68) = 63.454% kept HB2 ASP- 82 - HN LYS+ 55 8.333% * 24.5812% (0.68 0.64 0.12) = 24.581% kept HA1 GLY 58 - HN LYS+ 55 8.333% * 4.3785% (0.22 0.35 0.02) = 4.379% kept HG2 GLN 102 - HN LYS+ 55 8.333% * 3.2785% (0.64 0.09 0.02) = 3.279% kept HG2 MET 126 - HN LYS+ 55 8.333% * 1.0327% (0.92 0.02 0.02) = 1.033% kept HB VAL 99 - HN LYS+ 55 8.333% * 1.0033% (0.89 0.02 0.02) = 1.003% kept HB3 PRO 104 - HN LYS+ 55 8.333% * 0.9704% (0.86 0.02 0.02) = 0.970% HG3 MET 126 - HN LYS+ 55 8.333% * 0.3453% (0.31 0.02 0.02) = 0.345% HB3 GLU- 75 - HN LYS+ 55 8.333% * 0.2857% (0.25 0.02 0.02) = 0.286% HG3 MET 97 - HN LYS+ 55 8.333% * 0.2491% (0.22 0.02 0.02) = 0.249% HG2 PRO 104 - HN LYS+ 55 8.333% * 0.2491% (0.22 0.02 0.02) = 0.249% HB2 GLU- 50 - HN LYS+ 55 8.333% * 0.1726% (0.15 0.02 0.02) = 0.173% Reference assignment not found: HB2 PRO 52 - HN LYS+ 55 Peak 419 (1.28, 7.81, 122.18 ppm): 6 chemical-shift based assignments, quality = 0.772, support = 3.92, residual support = 12.9: O HB2 LYS+ 55 - HN LYS+ 55 16.667% * 90.1777% (0.76 10.0 4.24 14.29) = 90.178% kept HG13 ILE 101 - HN LYS+ 55 16.667% * 6.6482% (0.99 1.0 1.13 0.02) = 6.648% kept HG2 LYS+ 32 - HN LYS+ 55 16.667% * 2.8986% (0.68 1.0 0.72 1.22) = 2.899% kept HG2 LYS+ 81 - HN LYS+ 55 16.667% * 0.1157% (0.98 1.0 0.02 0.02) = 0.116% HB3 LEU 74 - HN LYS+ 55 16.667% * 0.1024% (0.86 1.0 0.02 0.02) = 0.102% QB ALA 103 - HN LYS+ 55 16.667% * 0.0574% (0.48 1.0 0.02 0.02) = 0.057% Peak 420 (1.60, 7.81, 122.18 ppm): 11 chemical-shift based assignments, quality = 0.864, support = 1.59, residual support = 1.71: HB3 PRO 52 - HN LYS+ 55 9.091% * 45.3385% (0.92 1.94 2.54) = 45.339% kept HD3 LYS+ 32 - HN LYS+ 55 9.091% * 38.3522% (0.99 1.53 1.22) = 38.352% kept HB3 LYS+ 32 - HN LYS+ 55 9.091% * 7.3494% (0.76 0.38 1.22) = 7.349% kept HG12 ILE 101 - HN LYS+ 55 9.091% * 6.9179% (0.20 1.38 0.02) = 6.918% kept HG LEU 23 - HN LYS+ 55 9.091% * 0.9911% (0.15 0.25 0.02) = 0.991% HG2 LYS+ 110 - HN LYS+ 55 9.091% * 0.4062% (0.80 0.02 0.02) = 0.406% HG3 LYS+ 78 - HN LYS+ 55 9.091% * 0.2274% (0.45 0.02 0.02) = 0.227% HG LEU 43 - HN LYS+ 55 9.091% * 0.1129% (0.22 0.02 0.02) = 0.113% HB VAL 122 - HN LYS+ 55 9.091% * 0.1129% (0.22 0.02 0.02) = 0.113% HB ILE 68 - HN LYS+ 55 9.091% * 0.1129% (0.22 0.02 0.02) = 0.113% HB ILE 19 - HN LYS+ 55 9.091% * 0.0783% (0.15 0.02 0.02) = 0.078% Peak 421 (8.59, 8.60, 122.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 422 (8.44, 8.60, 122.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 423 (3.93, 8.07, 122.17 ppm): 4 chemical-shift based assignments, quality = 0.216, support = 4.37, residual support = 27.8: O HA LEU 74 - HN GLU- 75 25.000% * 99.7342% (0.22 10.0 4.38 27.89) = 99.734% kept HB THR 96 - HN GLU- 75 25.000% * 0.1340% (0.29 1.0 0.02 0.02) = 0.134% HA1 GLY 114 - HN GLU- 75 25.000% * 0.0822% (0.18 1.0 0.02 0.02) = 0.082% HB2 SER 77 - HN GLU- 75 25.000% * 0.0495% (0.11 1.0 0.02 0.02) = 0.050% Peak 424 (1.95, 8.07, 122.17 ppm): 14 chemical-shift based assignments, quality = 0.257, support = 1.89, residual support = 21.9: O HB2 GLU- 75 - HN GLU- 75 7.143% * 90.1995% (0.26 10.0 2.00 24.21) = 90.199% kept HB VAL 13 - HN GLU- 75 7.143% * 5.6482% (0.29 1.0 1.13 0.56) = 5.648% kept HB VAL 73 - HN GLU- 75 7.143% * 1.7875% (0.13 1.0 0.80 0.02) = 1.787% kept HG2 PRO 112 - HN GLU- 75 7.143% * 1.2981% (0.13 1.0 0.60 0.30) = 1.298% kept HB ILE 29 - HN GLU- 75 7.143% * 0.3803% (0.07 1.0 0.32 0.02) = 0.380% HG3 PRO 31 - HN GLU- 75 7.143% * 0.1060% (0.31 1.0 0.02 0.02) = 0.106% HB2 PRO 35 - HN GLU- 75 7.143% * 0.1060% (0.31 1.0 0.02 0.02) = 0.106% HB3 LYS+ 55 - HN GLU- 75 7.143% * 0.1043% (0.30 1.0 0.02 0.02) = 0.104% HG3 PRO 116 - HN GLU- 75 7.143% * 0.1023% (0.30 1.0 0.02 0.02) = 0.102% HB3 GLU- 109 - HN GLU- 75 7.143% * 0.0903% (0.26 1.0 0.02 0.02) = 0.090% HB2 PRO 116 - HN GLU- 75 7.143% * 0.0569% (0.17 1.0 0.02 0.02) = 0.057% HB2 GLU- 10 - HN GLU- 75 7.143% * 0.0569% (0.17 1.0 0.02 0.02) = 0.057% HG3 PRO 104 - HN GLU- 75 7.143% * 0.0369% (0.11 1.0 0.02 0.02) = 0.037% HB3 GLU- 56 - HN GLU- 75 7.143% * 0.0270% (0.08 1.0 0.02 0.02) = 0.027% Peak 425 (4.42, 8.07, 122.17 ppm): 10 chemical-shift based assignments, quality = 0.24, support = 0.204, residual support = 0.162: HA HIS+ 14 - HN GLU- 75 10.000% * 36.9284% (0.29 0.22 0.13) = 36.928% kept HA PRO 112 - HN GLU- 75 10.000% * 35.5997% (0.20 0.30 0.30) = 35.600% kept HA LYS+ 111 - HN GLU- 75 10.000% * 11.9537% (0.22 0.10 0.02) = 11.954% kept HA LYS+ 66 - HN GLU- 75 10.000% * 3.6326% (0.31 0.02 0.02) = 3.633% kept HA PRO 86 - HN GLU- 75 10.000% * 2.9088% (0.25 0.02 0.02) = 2.909% kept HA PRO 116 - HN GLU- 75 10.000% * 2.6378% (0.23 0.02 0.02) = 2.638% kept HB THR 24 - HN GLU- 75 10.000% * 2.3500% (0.20 0.02 0.02) = 2.350% kept HA PRO 104 - HN GLU- 75 10.000% * 1.6286% (0.14 0.02 0.02) = 1.629% kept HA THR 95 - HN GLU- 75 10.000% * 1.2391% (0.11 0.02 0.02) = 1.239% kept HA ASN 57 - HN GLU- 75 10.000% * 1.1212% (0.10 0.02 0.02) = 1.121% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 426 (1.57, 8.07, 122.17 ppm): 10 chemical-shift based assignments, quality = 0.279, support = 0.199, residual support = 0.0475: HG12 ILE 29 - HN GLU- 75 10.000% * 55.2384% (0.27 0.32 0.02) = 55.238% kept HD3 LYS+ 81 - HN GLU- 75 10.000% * 19.7532% (0.31 0.10 0.02) = 19.753% kept HD3 LYS+ 60 - HN GLU- 75 10.000% * 4.0212% (0.31 0.02 0.18) = 4.021% kept HG LEU 17 - HN GLU- 75 10.000% * 3.9503% (0.31 0.02 0.25) = 3.950% kept HB ILE 19 - HN GLU- 75 10.000% * 3.8893% (0.30 0.02 0.02) = 3.889% kept QB ALA 42 - HN GLU- 75 10.000% * 3.4958% (0.27 0.02 0.02) = 3.496% kept HB3 LEU 90 - HN GLU- 75 10.000% * 3.2271% (0.25 0.02 0.39) = 3.227% kept HG13 ILE 29 - HN GLU- 75 10.000% * 2.7683% (0.22 0.02 0.02) = 2.768% kept QG2 THR 24 - HN GLU- 75 10.000% * 2.2817% (0.18 0.02 0.02) = 2.282% kept HB3 LYS+ 32 - HN GLU- 75 10.000% * 1.3747% (0.11 0.02 0.02) = 1.375% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 427 (2.35, 8.07, 122.17 ppm): 7 chemical-shift based assignments, quality = 0.212, support = 0.866, residual support = 0.559: HG3 GLU- 50 - HN GLU- 75 14.286% * 40.9720% (0.26 0.79 0.72) = 40.972% kept HG2 PRO 112 - HN GLU- 75 14.286% * 30.3210% (0.25 0.60 0.30) = 30.321% kept HB3 GLU- 50 - HN GLU- 75 14.286% * 23.5232% (0.08 1.52 0.72) = 23.523% kept HB2 TYR 83 - HN GLU- 75 14.286% * 2.7735% (0.11 0.13 0.17) = 2.773% kept HB2 GLU- 64 - HN GLU- 75 14.286% * 1.1780% (0.30 0.02 0.02) = 1.178% kept HG3 GLU- 56 - HN GLU- 75 14.286% * 1.0401% (0.26 0.02 0.02) = 1.040% kept HB3 PRO 86 - HN GLU- 75 14.286% * 0.1921% (0.05 0.02 0.02) = 0.192% Peak 428 (8.08, 8.07, 122.17 ppm): 1 diagonal assignment: HN GLU- 75 - HN GLU- 75 (0.31) kept Peak 429 (0.87, 8.07, 122.17 ppm): 6 chemical-shift based assignments, quality = 0.135, support = 0.62, residual support = 0.477: QG2 VAL 13 - HN GLU- 75 16.667% * 81.0698% (0.11 0.76 0.56) = 81.070% kept QG2 ILE 100 - HN GLU- 75 16.667% * 6.2383% (0.31 0.02 0.02) = 6.238% kept QD1 LEU 90 - HN GLU- 75 16.667% * 6.1968% (0.31 0.02 0.39) = 6.197% kept QG2 VAL 125 - HN GLU- 75 16.667% * 3.7921% (0.19 0.02 0.02) = 3.792% kept QG1 VAL 80 - HN GLU- 75 16.667% * 1.7383% (0.09 0.02 0.02) = 1.738% kept HG2 LYS+ 117 - HN GLU- 75 16.667% * 0.9647% (0.05 0.02 0.02) = 0.965% Not enough quality. Peak unassigned. Peak 430 (1.16, 8.07, 122.17 ppm): 6 chemical-shift based assignments, quality = 0.186, support = 3.49, residual support = 23.2: HB2 LEU 74 - HN GLU- 75 16.667% * 83.0006% (0.17 4.15 27.89) = 83.001% kept HG3 PRO 59 - HN GLU- 75 16.667% * 12.7475% (0.31 0.34 0.22) = 12.747% kept HB2 LEU 43 - HN GLU- 75 16.667% * 3.0392% (0.29 0.09 0.02) = 3.039% kept QG2 THR 106 - HN GLU- 75 16.667% * 0.6346% (0.26 0.02 0.02) = 0.635% QB ALA 33 - HN GLU- 75 16.667% * 0.4608% (0.19 0.02 0.02) = 0.461% HG3 LYS+ 32 - HN GLU- 75 16.667% * 0.1172% (0.05 0.02 0.02) = 0.117% Peak 432 (0.10, 7.32, 122.31 ppm): 1 chemical-shift based assignment, quality = 0.565, support = 5.0, residual support = 79.7: * QG2 VAL 47 - HN VAL 47 100.000% *100.0000% (0.57 5.00 79.67) = 100.000% kept Peak 433 (2.14, 7.32, 122.31 ppm): 11 chemical-shift based assignments, quality = 0.703, support = 4.8, residual support = 65.3: * O HB VAL 47 - HN VAL 47 9.091% * 81.9074% (0.69 10.0 5.45 79.67) = 81.907% kept HG2 GLU- 45 - HN VAL 47 9.091% * 11.7473% (0.76 1.0 2.58 0.19) = 11.747% kept HG2 PRO 112 - HN VAL 47 9.091% * 4.2536% (0.92 1.0 0.78 0.02) = 4.254% kept HB3 GLU- 75 - HN VAL 47 9.091% * 1.6821% (0.75 1.0 0.38 0.02) = 1.682% kept HB2 ASP- 28 - HN VAL 47 9.091% * 0.1169% (0.98 1.0 0.02 0.02) = 0.117% HB3 LYS+ 78 - HN VAL 47 9.091% * 0.0996% (0.83 1.0 0.02 0.02) = 0.100% HB VAL 105 - HN VAL 47 9.091% * 0.0675% (0.57 1.0 0.02 0.02) = 0.068% HB2 GLU- 56 - HN VAL 47 9.091% * 0.0407% (0.34 1.0 0.02 0.02) = 0.041% HB VAL 87 - HN VAL 47 9.091% * 0.0368% (0.31 1.0 0.02 0.02) = 0.037% HG2 PRO 104 - HN VAL 47 9.091% * 0.0297% (0.25 1.0 0.02 0.02) = 0.030% HB3 LEU 43 - HN VAL 47 9.091% * 0.0184% (0.15 1.0 0.02 0.53) = 0.018% Peak 434 (4.50, 7.32, 122.31 ppm): 7 chemical-shift based assignments, quality = 0.711, support = 2.64, residual support = 12.7: * HB THR 46 - HN VAL 47 14.286% * 78.0731% (0.69 3.28 16.21) = 78.073% kept HA LYS+ 55 - HN VAL 47 14.286% * 14.4426% (0.94 0.44 0.02) = 14.443% kept HA LYS+ 32 - HN VAL 47 14.286% * 3.3288% (0.28 0.35 0.02) = 3.329% kept HB THR 79 - HN VAL 47 14.286% * 2.9886% (0.99 0.09 0.02) = 2.989% kept HA CYS 123 - HN VAL 47 14.286% * 0.5299% (0.76 0.02 0.02) = 0.530% HA SER 77 - HN VAL 47 14.286% * 0.5299% (0.76 0.02 0.02) = 0.530% HA MET 126 - HN VAL 47 14.286% * 0.1070% (0.15 0.02 0.02) = 0.107% Peak 435 (7.78, 7.32, 122.31 ppm): 6 chemical-shift based assignments, quality = 0.832, support = 4.65, residual support = 16.2: * T HN THR 46 - HN VAL 47 16.667% * 99.7488% (0.83 10.00 4.66 16.21) = 99.749% kept HN VAL 87 - HN VAL 47 16.667% * 0.0956% (0.80 1.00 0.02 0.02) = 0.096% HN SER 124 - HN VAL 47 16.667% * 0.0448% (0.37 1.00 0.02 0.02) = 0.045% HN ALA 37 - HN VAL 47 16.667% * 0.0407% (0.34 1.00 0.02 0.02) = 0.041% HN VAL 125 - HN VAL 47 16.667% * 0.0369% (0.31 1.00 0.02 0.02) = 0.037% HN ALA 93 - HN VAL 47 16.667% * 0.0332% (0.28 1.00 0.02 0.02) = 0.033% Peak 436 (0.89, 7.32, 122.31 ppm): 9 chemical-shift based assignments, quality = 0.73, support = 4.38, residual support = 63.0: * QG1 VAL 47 - HN VAL 47 11.111% * 79.0218% (0.73 5.42 79.67) = 79.022% kept QD1 LEU 67 - HN VAL 47 11.111% * 9.7468% (0.65 0.75 0.46) = 9.747% kept QG2 VAL 125 - HN VAL 47 11.111% * 5.2138% (0.87 0.30 0.02) = 5.214% kept QG1 VAL 80 - HN VAL 47 11.111% * 4.9348% (1.00 0.25 0.02) = 4.935% kept QG2 VAL 87 - HN VAL 47 11.111% * 0.3217% (0.80 0.02 0.02) = 0.322% QG2 VAL 40 - HN VAL 47 11.111% * 0.3217% (0.80 0.02 0.02) = 0.322% HG3 LYS+ 117 - HN VAL 47 11.111% * 0.2275% (0.57 0.02 0.02) = 0.227% QG2 ILE 100 - HN VAL 47 11.111% * 0.1117% (0.28 0.02 0.02) = 0.112% QD1 LEU 90 - HN VAL 47 11.111% * 0.1002% (0.25 0.02 0.02) = 0.100% Peak 437 (1.29, 7.32, 122.31 ppm): 7 chemical-shift based assignments, quality = 0.437, support = 3.27, residual support = 12.1: * QG2 THR 46 - HN VAL 47 14.286% * 74.2611% (0.34 4.32 16.21) = 74.261% kept HB2 LYS+ 55 - HN VAL 47 14.286% * 14.0515% (1.00 0.28 0.02) = 14.051% kept HB3 LEU 74 - HN VAL 47 14.286% * 6.0368% (0.41 0.29 0.36) = 6.037% kept HG2 LYS+ 81 - HN VAL 47 14.286% * 2.6571% (0.61 0.09 0.02) = 2.657% kept HG2 LYS+ 32 - HN VAL 47 14.286% * 1.3716% (0.25 0.11 0.02) = 1.372% kept QB ALA 103 - HN VAL 47 14.286% * 0.9300% (0.92 0.02 0.51) = 0.930% HG13 ILE 101 - HN VAL 47 14.286% * 0.6920% (0.69 0.02 0.02) = 0.692% Peak 438 (3.08, 7.32, 122.31 ppm): 2 chemical-shift based assignments, quality = 0.525, support = 5.34, residual support = 79.6: * O HA VAL 47 - HN VAL 47 50.000% * 99.9219% (0.53 10.0 5.34 79.67) = 99.922% kept HB3 TRP 51 - HN VAL 47 50.000% * 0.0781% (0.41 1.0 0.02 3.62) = 0.078% Peak 439 (8.48, 8.48, 122.22 ppm): 1 diagonal assignment: * HN LYS+ 113 - HN LYS+ 113 (0.92) kept Peak 441 (4.78, 8.48, 122.22 ppm): 2 chemical-shift based assignments, quality = 0.712, support = 0.581, residual support = 0.901: HA ASN 15 - HN LYS+ 113 50.000% * 61.0063% (0.94 0.46 0.97) = 61.006% kept HA LEU 23 - HN LYS+ 113 50.000% * 38.9937% (0.36 0.77 0.80) = 38.994% kept Peak 443 (7.95, 7.96, 122.12 ppm): 1 diagonal assignment: * HN LYS+ 72 - HN LYS+ 72 (0.90) kept Peak 444 (1.85, 7.96, 122.12 ppm): 11 chemical-shift based assignments, quality = 0.99, support = 3.09, residual support = 24.9: * O HB3 LYS+ 72 - HN LYS+ 72 9.091% * 96.6217% (1.00 10.0 3.18 25.75) = 96.622% kept HD2 PRO 59 - HN LYS+ 72 9.091% * 2.8748% (0.87 1.0 0.69 1.46) = 2.875% kept HB2 PRO 104 - HN LYS+ 72 9.091% * 0.0964% (1.00 1.0 0.02 0.02) = 0.096% HB3 LYS+ 60 - HN LYS+ 72 9.091% * 0.0964% (1.00 1.0 0.02 0.02) = 0.096% HB VAL 94 - HN LYS+ 72 9.091% * 0.0867% (0.90 1.0 0.02 0.02) = 0.087% HB2 LYS+ 66 - HN LYS+ 72 9.091% * 0.0774% (0.80 1.0 0.02 0.02) = 0.077% HB2 PRO 59 - HN LYS+ 72 9.091% * 0.0433% (0.45 1.0 0.02 1.46) = 0.043% HB3 ARG+ 84 - HN LYS+ 72 9.091% * 0.0363% (0.37 1.0 0.02 0.02) = 0.036% HD3 PRO 52 - HN LYS+ 72 9.091% * 0.0330% (0.34 1.0 0.02 0.02) = 0.033% HG2 PRO 112 - HN LYS+ 72 9.091% * 0.0172% (0.18 1.0 0.02 0.46) = 0.017% HG3 LYS+ 120 - HN LYS+ 72 9.091% * 0.0169% (0.17 1.0 0.02 0.02) = 0.017% Peak 445 (0.67, 7.96, 122.12 ppm): 7 chemical-shift based assignments, quality = 0.666, support = 2.22, residual support = 1.32: * QG2 ILE 68 - HN LYS+ 72 14.286% * 33.3571% (0.49 3.69 2.90) = 33.357% kept QG1 VAL 62 - HN LYS+ 72 14.286% * 23.7950% (0.96 1.33 0.41) = 23.795% kept QG2 ILE 101 - HN LYS+ 72 14.286% * 19.7110% (0.43 2.45 1.16) = 19.711% kept QG2 ILE 48 - HN LYS+ 72 14.286% * 16.0867% (0.96 0.90 0.13) = 16.087% kept HG12 ILE 19 - HN LYS+ 72 14.286% * 6.7166% (0.53 0.69 0.02) = 6.717% kept QG2 VAL 94 - HN LYS+ 72 14.286% * 0.1809% (0.49 0.02 0.02) = 0.181% QD1 ILE 19 - HN LYS+ 72 14.286% * 0.1528% (0.41 0.02 0.02) = 0.153% Peak 446 (1.49, 7.96, 122.12 ppm): 8 chemical-shift based assignments, quality = 0.525, support = 3.24, residual support = 20.3: * O HB2 LYS+ 72 - HN LYS+ 72 12.500% * 65.5183% (0.45 10.0 3.33 25.75) = 65.518% kept QB ALA 70 - HN LYS+ 72 12.500% * 18.2457% (0.96 1.0 2.59 2.40) = 18.246% kept HG3 LYS+ 72 - HN LYS+ 72 12.500% * 11.7098% (0.34 1.0 4.70 25.75) = 11.710% kept HB3 LEU 67 - HN LYS+ 72 12.500% * 3.1463% (0.45 1.0 0.96 0.21) = 3.146% kept HG13 ILE 48 - HN LYS+ 72 12.500% * 1.1041% (0.20 1.0 0.76 0.13) = 1.104% kept HB3 LYS+ 44 - HN LYS+ 72 12.500% * 0.1382% (0.94 1.0 0.02 0.02) = 0.138% HD3 LYS+ 108 - HN LYS+ 72 12.500% * 0.0827% (0.57 1.0 0.02 0.02) = 0.083% HG3 PRO 52 - HN LYS+ 72 12.500% * 0.0548% (0.37 1.0 0.02 0.02) = 0.055% Peak 447 (8.79, 7.96, 122.12 ppm): 4 chemical-shift based assignments, quality = 0.862, support = 1.85, residual support = 4.15: * T HN SER 69 - HN LYS+ 72 25.000% * 99.4625% (0.87 10.00 1.86 4.17) = 99.463% kept HN THR 95 - HN LYS+ 72 25.000% * 0.3247% (0.69 1.00 0.08 0.02) = 0.325% HN LYS+ 32 - HN LYS+ 72 25.000% * 0.1747% (0.22 1.00 0.13 0.02) = 0.175% HN ASN 57 - HN LYS+ 72 25.000% * 0.0381% (0.31 1.00 0.02 0.02) = 0.038% Peak 448 (4.57, 7.96, 122.12 ppm): 4 chemical-shift based assignments, quality = 0.645, support = 3.57, residual support = 25.7: * O HA LYS+ 72 - HN LYS+ 72 25.000% * 99.7697% (0.65 10.0 3.58 25.75) = 99.770% kept HA LYS+ 78 - HN LYS+ 72 25.000% * 0.1539% (1.00 1.0 0.02 0.02) = 0.154% HA LEU 17 - HN LYS+ 72 25.000% * 0.0526% (0.34 1.0 0.02 0.02) = 0.053% HA ASP- 25 - HN LYS+ 72 25.000% * 0.0238% (0.15 1.0 0.02 0.02) = 0.024% Peak 449 (3.45, 7.96, 122.12 ppm): 6 chemical-shift based assignments, quality = 0.644, support = 3.16, residual support = 12.3: * O HA1 GLY 71 - HN LYS+ 72 16.667% * 96.2153% (0.65 10.0 3.27 12.79) = 96.215% kept HA VAL 62 - HN LYS+ 72 16.667% * 2.3588% (0.76 1.0 0.42 0.41) = 2.359% kept HA ILE 48 - HN LYS+ 72 16.667% * 1.0110% (0.41 1.0 0.33 0.13) = 1.011% kept HA VAL 40 - HN LYS+ 72 16.667% * 0.1484% (1.00 1.0 0.02 0.02) = 0.148% HA VAL 80 - HN LYS+ 72 16.667% * 0.1474% (0.99 1.0 0.02 0.02) = 0.147% HD3 PRO 31 - HN LYS+ 72 16.667% * 0.1191% (0.80 1.0 0.02 0.02) = 0.119% Peak 450 (4.12, 7.96, 122.12 ppm): 8 chemical-shift based assignments, quality = 0.584, support = 3.21, residual support = 11.7: * O HA2 GLY 71 - HN LYS+ 72 12.500% * 89.8675% (0.61 10.0 3.24 12.79) = 89.867% kept HA ALA 70 - HN LYS+ 72 12.500% * 9.5319% (0.41 1.0 3.13 2.40) = 9.532% kept HB3 SER 49 - HN LYS+ 72 12.500% * 0.1376% (0.93 1.0 0.02 0.02) = 0.138% HA ARG+ 53 - HN LYS+ 72 12.500% * 0.1368% (0.92 1.0 0.02 0.02) = 0.137% HA THR 46 - HN LYS+ 72 12.500% * 0.1132% (0.76 1.0 0.02 0.02) = 0.113% HA LYS+ 110 - HN LYS+ 72 12.500% * 0.1018% (0.69 1.0 0.02 0.02) = 0.102% HB2 SER 88 - HN LYS+ 72 12.500% * 0.0556% (0.37 1.0 0.02 0.02) = 0.056% HA LYS+ 63 - HN LYS+ 72 12.500% * 0.0556% (0.37 1.0 0.02 0.02) = 0.056% Peak 451 (4.38, 8.39, 122.01 ppm): 14 chemical-shift based assignments, quality = 0.108, support = 0.02, residual support = 0.0504: HA ALA 91 - HN GLU- 109 7.143% * 11.1130% (0.14 0.02 0.29) = 11.113% kept HA SER 88 - HN GLU- 109 7.143% * 10.7487% (0.14 0.02 0.02) = 10.749% kept HA SER 27 - HN GLU- 109 7.143% * 10.5358% (0.14 0.02 0.02) = 10.536% kept HA ALA 37 - HN GLU- 109 7.143% * 10.2814% (0.13 0.02 0.02) = 10.281% kept HA LYS+ 60 - HN GLU- 109 7.143% * 9.3030% (0.12 0.02 0.02) = 9.303% kept HA TRP 51 - HN GLU- 109 7.143% * 8.9184% (0.12 0.02 0.02) = 8.918% kept HA ASN 57 - HN GLU- 109 7.143% * 7.2050% (0.09 0.02 0.02) = 7.205% kept HA THR 95 - HN GLU- 109 7.143% * 6.7554% (0.09 0.02 0.02) = 6.755% kept HB THR 61 - HN GLU- 109 7.143% * 6.3057% (0.08 0.02 0.02) = 6.306% kept HA PRO 104 - HN GLU- 109 7.143% * 5.4213% (0.07 0.02 0.02) = 5.421% kept HA2 GLY 26 - HN GLU- 109 7.143% * 4.9934% (0.06 0.02 0.02) = 4.993% kept HA PRO 112 - HN GLU- 109 7.143% * 3.4376% (0.04 0.02 0.02) = 3.438% kept HA PRO 116 - HN GLU- 109 7.143% * 2.7772% (0.04 0.02 0.02) = 2.777% kept HA PRO 86 - HN GLU- 109 7.143% * 2.2041% (0.03 0.02 0.02) = 2.204% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 452 (1.81, 8.39, 122.01 ppm): 10 chemical-shift based assignments, quality = 0.138, support = 1.79, residual support = 6.34: * O HB2 GLU- 109 - HN GLU- 109 10.000% * 84.6351% (0.14 10.0 1.74 6.66) = 84.635% kept HG3 LYS+ 108 - HN GLU- 109 10.000% * 9.6623% (0.13 1.0 2.21 4.63) = 9.662% kept HB3 LYS+ 108 - HN GLU- 109 10.000% * 5.3716% (0.08 1.0 1.95 4.63) = 5.372% kept HD3 LYS+ 72 - HN GLU- 109 10.000% * 0.0954% (0.14 1.0 0.02 0.02) = 0.095% HD3 LYS+ 117 - HN GLU- 109 10.000% * 0.0845% (0.12 1.0 0.02 0.02) = 0.084% HB3 LYS+ 63 - HN GLU- 109 10.000% * 0.0551% (0.08 1.0 0.02 0.02) = 0.055% HB2 PRO 59 - HN GLU- 109 10.000% * 0.0400% (0.06 1.0 0.02 0.02) = 0.040% HG2 PRO 31 - HN GLU- 109 10.000% * 0.0217% (0.03 1.0 0.02 0.02) = 0.022% HG3 LYS+ 63 - HN GLU- 109 10.000% * 0.0193% (0.03 1.0 0.02 0.02) = 0.019% HB2 LYS+ 66 - HN GLU- 109 10.000% * 0.0150% (0.02 1.0 0.02 0.02) = 0.015% Peak 453 (8.86, 8.87, 121.88 ppm): 1 diagonal assignment: * HN ILE 68 - HN ILE 68 (0.87) kept Peak 454 (5.55, 8.87, 121.88 ppm): 1 chemical-shift based assignment, quality = 0.308, support = 5.79, residual support = 34.9: * O HA LEU 67 - HN ILE 68 100.000% *100.0000% (0.31 10.0 5.79 34.91) = 100.000% kept Peak 455 (0.90, 8.87, 121.88 ppm): 10 chemical-shift based assignments, quality = 0.786, support = 5.35, residual support = 44.8: * QD1 LEU 67 - HN ILE 68 10.000% * 78.2362% (0.94 5.20 34.91) = 78.236% kept HG12 ILE 68 - HN ILE 68 10.000% * 18.8468% (0.17 6.77 92.71) = 18.847% kept QG1 VAL 47 - HN ILE 68 10.000% * 1.3849% (0.98 0.09 0.02) = 1.385% kept QG2 VAL 87 - HN ILE 68 10.000% * 0.3173% (1.00 0.02 0.02) = 0.317% QG2 VAL 40 - HN ILE 68 10.000% * 0.3173% (1.00 0.02 0.02) = 0.317% HG3 LYS+ 117 - HN ILE 68 10.000% * 0.2852% (0.90 0.02 0.02) = 0.285% QG1 VAL 80 - HN ILE 68 10.000% * 0.2759% (0.87 0.02 0.02) = 0.276% QG2 VAL 125 - HN ILE 68 10.000% * 0.1673% (0.53 0.02 0.02) = 0.167% QG2 VAL 80 - HN ILE 68 10.000% * 0.0982% (0.31 0.02 0.02) = 0.098% HG3 LYS+ 110 - HN ILE 68 10.000% * 0.0708% (0.22 0.02 0.02) = 0.071% Peak 456 (0.70, 8.87, 121.88 ppm): 11 chemical-shift based assignments, quality = 0.711, support = 4.5, residual support = 69.3: * QG2 ILE 68 - HN ILE 68 9.091% * 74.7472% (0.65 5.86 92.71) = 74.747% kept QG2 ILE 101 - HN ILE 68 9.091% * 13.9858% (1.00 0.71 0.10) = 13.986% kept QG2 ILE 48 - HN ILE 68 9.091% * 3.8340% (0.95 0.21 0.02) = 3.834% kept QG2 THR 96 - HN ILE 68 9.091% * 2.7887% (0.94 0.15 0.02) = 2.789% kept QD1 ILE 19 - HN ILE 68 9.091% * 1.5512% (0.73 0.11 0.02) = 1.551% kept HG12 ILE 19 - HN ILE 68 9.091% * 1.2606% (0.61 0.11 0.02) = 1.261% kept QG2 VAL 94 - HN ILE 68 9.091% * 1.1167% (0.65 0.09 0.02) = 1.117% kept QG1 VAL 65 - HN ILE 68 9.091% * 0.3941% (1.00 0.02 1.17) = 0.394% HG LEU 74 - HN ILE 68 9.091% * 0.1918% (0.49 0.02 1.08) = 0.192% QG1 VAL 62 - HN ILE 68 9.091% * 0.0690% (0.17 0.02 0.02) = 0.069% QG1 VAL 40 - HN ILE 68 9.091% * 0.0608% (0.15 0.02 0.02) = 0.061% Peak 457 (1.63, 8.87, 121.88 ppm): 10 chemical-shift based assignments, quality = 0.988, support = 6.18, residual support = 87.1: * O HB ILE 68 - HN ILE 68 10.000% * 93.9077% (1.00 10.0 6.54 92.71) = 93.908% kept HG12 ILE 101 - HN ILE 68 10.000% * 3.5372% (1.00 1.0 0.75 0.10) = 3.537% kept HG LEU 43 - HN ILE 68 10.000% * 1.1757% (1.00 1.0 0.25 0.61) = 1.176% kept HG2 ARG+ 22 - HN ILE 68 10.000% * 1.0022% (0.49 1.0 0.44 0.02) = 1.002% kept HB VAL 122 - HN ILE 68 10.000% * 0.0939% (1.00 1.0 0.02 0.02) = 0.094% HG LEU 23 - HN ILE 68 10.000% * 0.0933% (0.99 1.0 0.02 0.02) = 0.093% HG3 LYS+ 78 - HN ILE 68 10.000% * 0.0816% (0.87 1.0 0.02 0.02) = 0.082% HG2 LYS+ 110 - HN ILE 68 10.000% * 0.0495% (0.53 1.0 0.02 0.02) = 0.050% HB3 PRO 52 - HN ILE 68 10.000% * 0.0353% (0.37 1.0 0.02 0.02) = 0.035% HD3 LYS+ 32 - HN ILE 68 10.000% * 0.0235% (0.25 1.0 0.02 0.02) = 0.023% Peak 458 (1.38, 8.87, 121.88 ppm): 12 chemical-shift based assignments, quality = 0.834, support = 5.4, residual support = 75.8: * HG13 ILE 68 - HN ILE 68 8.333% * 73.9827% (1.00 6.02 92.71) = 73.983% kept HG LEU 67 - HN ILE 68 8.333% * 20.4431% (0.37 4.43 34.91) = 20.443% kept HG13 ILE 100 - HN ILE 68 8.333% * 4.4547% (0.41 0.88 0.93) = 4.455% kept QG2 THR 39 - HN ILE 68 8.333% * 0.2325% (0.94 0.02 0.02) = 0.232% HG2 LYS+ 78 - HN ILE 68 8.333% * 0.1968% (0.80 0.02 0.02) = 0.197% HD3 LYS+ 20 - HN ILE 68 8.333% * 0.1878% (0.76 0.02 0.02) = 0.188% QB ALA 11 - HN ILE 68 8.333% * 0.1196% (0.49 0.02 0.02) = 0.120% HB3 LYS+ 20 - HN ILE 68 8.333% * 0.1102% (0.45 0.02 0.02) = 0.110% QB ALA 93 - HN ILE 68 8.333% * 0.1010% (0.41 0.02 0.02) = 0.101% HB3 LEU 17 - HN ILE 68 8.333% * 0.0683% (0.28 0.02 0.02) = 0.068% QB ALA 37 - HN ILE 68 8.333% * 0.0547% (0.22 0.02 0.02) = 0.055% HG3 LYS+ 81 - HN ILE 68 8.333% * 0.0486% (0.20 0.02 0.02) = 0.049% Peak 459 (1.19, 8.87, 121.88 ppm): 6 chemical-shift based assignments, quality = 0.31, support = 4.65, residual support = 31.0: * HB2 LEU 67 - HN ILE 68 16.667% * 88.6488% (0.28 5.24 34.91) = 88.649% kept HB2 LEU 74 - HN ILE 68 16.667% * 4.6580% (0.80 0.10 1.08) = 4.658% kept HB2 LEU 43 - HN ILE 68 16.667% * 3.5063% (0.37 0.15 0.61) = 3.506% kept QG2 THR 106 - HN ILE 68 16.667% * 2.7326% (0.49 0.09 0.02) = 2.733% kept HG3 PRO 59 - HN ILE 68 16.667% * 0.2410% (0.20 0.02 0.21) = 0.241% HB3 ARG+ 22 - HN ILE 68 16.667% * 0.2133% (0.17 0.02 0.02) = 0.213% Peak 460 (9.45, 8.87, 121.88 ppm): 1 chemical-shift based assignment, quality = 0.523, support = 2.73, residual support = 15.6: * T HN HIS+ 98 - HN ILE 68 100.000% *100.0000% (0.52 10.00 2.73 15.60) = 100.000% kept Peak 463 (8.25, 8.26, 122.13 ppm): 1 diagonal assignment: * HN ASP- 115 - HN ASP- 115 (0.85) kept Peak 464 (3.90, 8.26, 122.13 ppm): 6 chemical-shift based assignments, quality = 0.558, support = 2.26, residual support = 8.57: * HD2 PRO 116 - HN ASP- 115 16.667% * 74.4994% (0.52 2.86 11.49) = 74.499% kept HB2 SER 77 - HN ASP- 115 16.667% * 21.2820% (0.78 0.54 0.02) = 21.282% kept HB THR 96 - HN ASP- 115 16.667% * 3.0229% (0.22 0.27 0.02) = 3.023% kept HD2 PRO 86 - HN ASP- 115 16.667% * 0.5998% (0.59 0.02 0.02) = 0.600% HD3 PRO 35 - HN ASP- 115 16.667% * 0.4433% (0.44 0.02 0.02) = 0.443% HA GLU- 45 - HN ASP- 115 16.667% * 0.1526% (0.15 0.02 0.02) = 0.153% Peak 465 (4.78, 8.26, 122.13 ppm): 2 chemical-shift based assignments, quality = 0.821, support = 0.824, residual support = 2.69: HA ASN 15 - HN ASP- 115 50.000% * 81.2152% (0.96 0.82 2.00) = 81.215% kept HA LEU 23 - HN ASP- 115 50.000% * 18.7848% (0.22 0.84 5.68) = 18.785% kept Peak 466 (2.72, 8.26, 122.13 ppm): 3 chemical-shift based assignments, quality = 0.593, support = 2.24, residual support = 18.6: * O HB3 ASP- 115 - HN ASP- 115 33.333% * 99.7642% (0.59 10.0 2.24 18.67) = 99.764% kept HB3 PHE 21 - HN ASP- 115 33.333% * 0.1427% (0.85 1.0 0.02 0.02) = 0.143% HE3 LYS+ 120 - HN ASP- 115 33.333% * 0.0931% (0.55 1.0 0.02 0.02) = 0.093% Peak 467 (4.78, 8.48, 121.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 468 (0.94, 8.48, 121.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 470 (4.79, 8.26, 121.80 ppm): 8 chemical-shift based assignments, quality = 0.149, support = 0.994, residual support = 3.56: HA LEU 23 - HN ASP- 115 12.500% * 41.6223% (0.18 0.84 5.68) = 41.622% kept HA ASN 15 - HN ASP- 115 12.500% * 38.8363% (0.18 0.82 2.00) = 38.836% kept HA GLU- 18 - HN VAL 94 12.500% * 11.2682% (0.02 2.48 3.64) = 11.268% kept HB THR 39 - HN VAL 94 12.500% * 3.8555% (0.02 0.94 0.02) = 3.855% kept HA ASN 15 - HN VAL 94 12.500% * 3.3680% (0.04 0.35 0.02) = 3.368% kept HA GLU- 18 - HN ASP- 115 12.500% * 0.4442% (0.08 0.02 0.02) = 0.444% HB THR 39 - HN ASP- 115 12.500% * 0.4019% (0.07 0.02 0.02) = 0.402% HA LEU 23 - HN VAL 94 12.500% * 0.2036% (0.04 0.02 0.02) = 0.204% Not enough quality. Peak unassigned. Peak 471 (2.84, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 472 (4.36, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 473 (4.47, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 474 (2.34, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 475 (4.79, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 476 (2.06, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 477 (1.75, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 478 (8.16, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 479 (1.94, 8.34, 121.70 ppm): 30 chemical-shift based assignments, quality = 0.151, support = 2.13, residual support = 6.66: * O HB3 GLU- 109 - HN GLU- 109 3.333% * 93.5362% (0.16 10.0 2.23 6.66) = 93.536% kept HB2 LEU 23 - HN VAL 99 3.333% * 3.1077% (0.08 1.0 1.39 13.87) = 3.108% kept HB2 PRO 116 - HN GLU- 109 3.333% * 0.3334% (0.57 1.0 0.02 0.02) = 0.333% HB2 GLU- 10 - HN GLU- 109 3.333% * 0.3334% (0.57 1.0 0.02 0.02) = 0.333% HB2 GLU- 75 - HN GLU- 109 3.333% * 0.3106% (0.53 1.0 0.02 0.02) = 0.311% HB3 LYS+ 55 - HN GLU- 109 3.333% * 0.2571% (0.44 1.0 0.02 0.02) = 0.257% HB ILE 29 - HN GLU- 109 3.333% * 0.2571% (0.44 1.0 0.02 0.02) = 0.257% HG3 PRO 31 - HN GLU- 109 3.333% * 0.2443% (0.41 1.0 0.02 0.02) = 0.244% HB2 LEU 23 - HN GLU- 109 3.333% * 0.1905% (0.32 1.0 0.02 0.02) = 0.190% HB2 PRO 35 - HN GLU- 109 3.333% * 0.1638% (0.28 1.0 0.02 0.02) = 0.164% HG3 PRO 116 - HN GLU- 109 3.333% * 0.1383% (0.23 1.0 0.02 0.02) = 0.138% HB VAL 13 - HN GLU- 109 3.333% * 0.1263% (0.21 1.0 0.02 0.02) = 0.126% HG2 PRO 112 - HN GLU- 109 3.333% * 0.1206% (0.20 1.0 0.02 0.02) = 0.121% HD3 LYS+ 63 - HN GLU- 109 3.333% * 0.1038% (0.18 1.0 0.02 0.02) = 0.104% HB2 PRO 112 - HN GLU- 109 3.333% * 0.0967% (0.16 1.0 0.02 0.02) = 0.097% HB2 GLU- 10 - HN VAL 99 3.333% * 0.0785% (0.13 1.0 0.02 0.02) = 0.079% HB2 PRO 116 - HN VAL 99 3.333% * 0.0785% (0.13 1.0 0.02 0.02) = 0.079% HB2 GLU- 75 - HN VAL 99 3.333% * 0.0731% (0.12 1.0 0.02 0.02) = 0.073% HB3 LYS+ 55 - HN VAL 99 3.333% * 0.0606% (0.10 1.0 0.02 0.02) = 0.061% HB ILE 29 - HN VAL 99 3.333% * 0.0606% (0.10 1.0 0.02 0.02) = 0.061% HB3 GLN 102 - HN GLU- 109 3.333% * 0.0589% (0.10 1.0 0.02 0.02) = 0.059% HG3 PRO 31 - HN VAL 99 3.333% * 0.0575% (0.10 1.0 0.02 0.02) = 0.058% HB2 PRO 35 - HN VAL 99 3.333% * 0.0386% (0.07 1.0 0.02 0.02) = 0.039% HG3 PRO 116 - HN VAL 99 3.333% * 0.0326% (0.06 1.0 0.02 0.02) = 0.033% HB VAL 13 - HN VAL 99 3.333% * 0.0297% (0.05 1.0 0.02 0.02) = 0.030% HG2 PRO 112 - HN VAL 99 3.333% * 0.0284% (0.05 1.0 0.02 0.02) = 0.028% HD3 LYS+ 63 - HN VAL 99 3.333% * 0.0245% (0.04 1.0 0.02 0.02) = 0.024% HB2 PRO 112 - HN VAL 99 3.333% * 0.0228% (0.04 1.0 0.02 0.02) = 0.023% HB3 GLU- 109 - HN VAL 99 3.333% * 0.0220% (0.04 1.0 0.02 0.02) = 0.022% HB3 GLN 102 - HN VAL 99 3.333% * 0.0139% (0.02 1.0 0.02 0.02) = 0.014% Peak 480 (8.34, 8.34, 121.70 ppm): 1 diagonal assignment: * HN GLU- 109 - HN GLU- 109 (0.53) kept Peak 481 (4.21, 8.34, 121.70 ppm): 18 chemical-shift based assignments, quality = 0.293, support = 1.69, residual support = 6.0: * O HA GLU- 109 - HN GLU- 109 5.556% * 68.7460% (0.37 10.0 1.55 6.66) = 68.746% kept O HA LYS+ 108 - HN GLU- 109 5.556% * 30.5888% (0.13 10.0 2.04 4.63) = 30.589% kept HA ASP- 82 - HN GLU- 109 5.556% * 0.1268% (0.53 1.0 0.02 0.02) = 0.127% HA GLU- 12 - HN GLU- 109 5.556% * 0.1268% (0.53 1.0 0.02 0.02) = 0.127% HB3 SER 49 - HN GLU- 109 5.556% * 0.0877% (0.36 1.0 0.02 0.02) = 0.088% HA SER 49 - HN GLU- 109 5.556% * 0.0616% (0.26 1.0 0.02 0.02) = 0.062% HA ALA 42 - HN GLU- 109 5.556% * 0.0516% (0.21 1.0 0.02 0.02) = 0.052% HA GLU- 10 - HN GLU- 109 5.556% * 0.0306% (0.13 1.0 0.02 0.02) = 0.031% HA GLU- 54 - HN GLU- 109 5.556% * 0.0306% (0.13 1.0 0.02 0.02) = 0.031% HA ASP- 82 - HN VAL 99 5.556% * 0.0299% (0.12 1.0 0.02 0.02) = 0.030% HA GLU- 12 - HN VAL 99 5.556% * 0.0299% (0.12 1.0 0.02 0.02) = 0.030% HA GLU- 109 - HN VAL 99 5.556% * 0.0209% (0.09 1.0 0.02 0.02) = 0.021% HB3 SER 49 - HN VAL 99 5.556% * 0.0206% (0.09 1.0 0.02 0.02) = 0.021% HA SER 49 - HN VAL 99 5.556% * 0.0145% (0.06 1.0 0.02 0.02) = 0.015% HA ALA 42 - HN VAL 99 5.556% * 0.0121% (0.05 1.0 0.02 0.02) = 0.012% HA GLU- 10 - HN VAL 99 5.556% * 0.0072% (0.03 1.0 0.02 0.02) = 0.007% HA GLU- 54 - HN VAL 99 5.556% * 0.0072% (0.03 1.0 0.02 0.02) = 0.007% HA LYS+ 108 - HN VAL 99 5.556% * 0.0072% (0.03 1.0 0.02 0.02) = 0.007% Peak 482 (2.22, 8.34, 121.70 ppm): 28 chemical-shift based assignments, quality = 0.399, support = 1.37, residual support = 4.29: * HG3 GLU- 109 - HN GLU- 109 3.571% * 61.8444% (0.54 1.82 6.66) = 61.844% kept HB3 GLU- 45 - HN GLU- 109 3.571% * 13.6522% (0.32 0.67 0.02) = 13.652% kept HG3 MET 97 - HN VAL 99 3.571% * 9.7687% (0.12 1.25 1.69) = 9.769% kept HG3 GLU- 18 - HN VAL 99 3.571% * 3.6557% (0.13 0.43 0.02) = 3.656% kept HG3 GLN 102 - HN VAL 99 3.571% * 2.8227% (0.13 0.34 0.02) = 2.823% kept HG2 PRO 112 - HN GLU- 109 3.571% * 0.7181% (0.57 0.02 0.02) = 0.718% HG3 GLU- 18 - HN GLU- 109 3.571% * 0.7166% (0.57 0.02 0.02) = 0.717% HG3 GLN 102 - HN GLU- 109 3.571% * 0.7118% (0.57 0.02 0.02) = 0.712% HB2 GLU- 50 - HN GLU- 109 3.571% * 0.7039% (0.56 0.02 0.02) = 0.704% HB2 PRO 52 - HN GLU- 109 3.571% * 0.6793% (0.54 0.02 0.02) = 0.679% HA1 GLY 58 - HN GLU- 109 3.571% * 0.6629% (0.53 0.02 0.02) = 0.663% HG3 MET 97 - HN GLU- 109 3.571% * 0.6629% (0.53 0.02 0.02) = 0.663% HA1 GLY 58 - HN VAL 99 3.571% * 0.6077% (0.12 0.08 0.02) = 0.608% HG3 MET 126 - HN GLU- 109 3.571% * 0.5998% (0.48 0.02 0.02) = 0.600% HG3 GLN 16 - HN GLU- 109 3.571% * 0.3496% (0.28 0.02 0.02) = 0.350% HG3 GLU- 10 - HN GLU- 109 3.571% * 0.3220% (0.26 0.02 0.02) = 0.322% HB3 ASN 15 - HN GLU- 109 3.571% * 0.2217% (0.18 0.02 0.02) = 0.222% HG2 PRO 112 - HN VAL 99 3.571% * 0.1691% (0.13 0.02 0.02) = 0.169% HB2 GLU- 50 - HN VAL 99 3.571% * 0.1658% (0.13 0.02 0.02) = 0.166% HG3 GLU- 109 - HN VAL 99 3.571% * 0.1600% (0.13 0.02 0.02) = 0.160% HB2 PRO 52 - HN VAL 99 3.571% * 0.1600% (0.13 0.02 0.52) = 0.160% HG2 MET 126 - HN GLU- 109 3.571% * 0.1599% (0.13 0.02 0.02) = 0.160% HG3 MET 126 - HN VAL 99 3.571% * 0.1413% (0.11 0.02 0.02) = 0.141% HB3 GLU- 45 - HN VAL 99 3.571% * 0.0958% (0.08 0.02 0.58) = 0.096% HG3 GLN 16 - HN VAL 99 3.571% * 0.0823% (0.07 0.02 0.02) = 0.082% HG3 GLU- 10 - HN VAL 99 3.571% * 0.0758% (0.06 0.02 0.02) = 0.076% HB3 ASN 15 - HN VAL 99 3.571% * 0.0522% (0.04 0.02 0.02) = 0.052% HG2 MET 126 - HN VAL 99 3.571% * 0.0377% (0.03 0.02 0.02) = 0.038% Peak 484 (1.73, 8.44, 121.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 485 (4.50, 8.11, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 486 (8.09, 8.11, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 487 (1.67, 8.11, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 489 (2.98, 8.11, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 490 (7.87, 7.88, 121.81 ppm): 1 diagonal assignment: * HN LEU 90 - HN LEU 90 (0.83) kept Peak 491 (1.61, 7.88, 121.81 ppm): 10 chemical-shift based assignments, quality = 0.865, support = 0.918, residual support = 1.09: HB3 PRO 52 - HN LEU 90 10.000% * 42.5000% (0.96 1.36 2.38) = 42.500% kept HD3 LYS+ 32 - HN LEU 90 10.000% * 25.0948% (0.87 0.90 0.21) = 25.095% kept HG2 LYS+ 110 - HN LEU 90 10.000% * 12.4218% (1.00 0.38 0.02) = 12.422% kept HG3 LYS+ 78 - HN LEU 90 10.000% * 9.0653% (0.83 0.34 0.02) = 9.065% kept HB3 LYS+ 32 - HN LEU 90 10.000% * 5.6447% (0.37 0.47 0.21) = 5.645% kept HG LEU 23 - HN LEU 90 10.000% * 3.8356% (0.45 0.26 0.15) = 3.836% kept HB VAL 122 - HN LEU 90 10.000% * 0.3659% (0.57 0.02 0.02) = 0.366% HG LEU 43 - HN LEU 90 10.000% * 0.3659% (0.57 0.02 0.02) = 0.366% HB ILE 68 - HN LEU 90 10.000% * 0.3659% (0.57 0.02 0.02) = 0.366% HG12 ILE 101 - HN LEU 90 10.000% * 0.3400% (0.53 0.02 0.02) = 0.340% Peak 492 (4.29, 7.88, 121.81 ppm): 14 chemical-shift based assignments, quality = 0.743, support = 2.94, residual support = 18.2: * O HA LEU 90 - HN LEU 90 7.143% * 93.6912% (0.76 10.0 3.10 19.40) = 93.691% kept HA ILE 29 - HN LEU 90 7.143% * 2.0642% (0.52 1.0 0.64 0.02) = 2.064% kept HA ASP- 36 - HN LEU 90 7.143% * 1.9766% (0.95 1.0 0.33 0.02) = 1.977% kept HA ALA 93 - HN LEU 90 7.143% * 1.5549% (0.34 1.0 0.74 0.15) = 1.555% kept HA CYS 121 - HN LEU 90 7.143% * 0.1215% (0.98 1.0 0.02 0.02) = 0.122% HA THR 106 - HN LEU 90 7.143% * 0.1202% (0.97 1.0 0.02 0.02) = 0.120% HB3 CYS 121 - HN LEU 90 7.143% * 0.1132% (0.91 1.0 0.02 0.02) = 0.113% HA VAL 122 - HN LEU 90 7.143% * 0.0842% (0.68 1.0 0.02 0.02) = 0.084% HA VAL 94 - HN LEU 90 7.143% * 0.0597% (0.48 1.0 0.02 0.02) = 0.060% HA PRO 52 - HN LEU 90 7.143% * 0.0550% (0.44 1.0 0.02 2.38) = 0.055% HA ARG+ 84 - HN LEU 90 7.143% * 0.0550% (0.44 1.0 0.02 0.02) = 0.055% HA SER 85 - HN LEU 90 7.143% * 0.0550% (0.44 1.0 0.02 0.02) = 0.055% HA GLU- 56 - HN LEU 90 7.143% * 0.0306% (0.25 1.0 0.02 0.02) = 0.031% HA GLU- 64 - HN LEU 90 7.143% * 0.0189% (0.15 1.0 0.02 0.02) = 0.019% Peak 493 (4.68, 7.88, 121.81 ppm): 7 chemical-shift based assignments, quality = 0.967, support = 2.09, residual support = 4.38: * O HA ASN 89 - HN LEU 90 14.286% * 99.7248% (0.97 10.0 2.10 4.40) = 99.725% kept HA TYR 83 - HN LEU 90 14.286% * 0.0850% (0.83 1.0 0.02 0.02) = 0.085% HA PRO 35 - HN LEU 90 14.286% * 0.0617% (0.60 1.0 0.02 0.02) = 0.062% HA GLN 16 - HN LEU 90 14.286% * 0.0456% (0.44 1.0 0.02 0.02) = 0.046% HA LYS+ 120 - HN LEU 90 14.286% * 0.0314% (0.31 1.0 0.02 0.02) = 0.031% HA VAL 99 - HN LEU 90 14.286% * 0.0314% (0.31 1.0 0.02 0.02) = 0.031% HA THR 61 - HN LEU 90 14.286% * 0.0201% (0.20 1.0 0.02 0.02) = 0.020% Peak 494 (8.29, 7.88, 121.81 ppm): 4 chemical-shift based assignments, quality = 0.835, support = 2.75, residual support = 14.0: * T HN ALA 91 - HN LEU 90 25.000% * 89.7961% (0.86 10.00 2.73 15.11) = 89.796% kept HN ASN 89 - HN LEU 90 25.000% * 10.0687% (0.64 1.00 3.01 4.40) = 10.069% kept HN ASP- 28 - HN LEU 90 25.000% * 0.0999% (0.95 1.00 0.02 0.02) = 0.100% HN VAL 99 - HN LEU 90 25.000% * 0.0353% (0.34 1.00 0.02 0.02) = 0.035% Peak 495 (0.87, 7.88, 121.81 ppm): 8 chemical-shift based assignments, quality = 0.809, support = 2.24, residual support = 17.9: * QD1 LEU 90 - HN LEU 90 12.500% * 92.4558% (0.86 2.42 19.40) = 92.456% kept QG2 VAL 40 - HN LEU 90 12.500% * 2.4414% (0.20 0.28 0.02) = 2.441% kept QG1 VAL 80 - HN LEU 90 12.500% * 2.3356% (0.48 0.11 0.02) = 2.336% kept QG2 VAL 13 - HN LEU 90 12.500% * 0.9287% (0.17 0.12 0.02) = 0.929% QG2 ILE 100 - HN LEU 90 12.500% * 0.7911% (0.89 0.02 0.02) = 0.791% QG2 VAL 125 - HN LEU 90 12.500% * 0.7368% (0.83 0.02 0.02) = 0.737% QG2 VAL 87 - HN LEU 90 12.500% * 0.1746% (0.20 0.02 0.02) = 0.175% QG1 VAL 47 - HN LEU 90 12.500% * 0.1361% (0.15 0.02 0.02) = 0.136% Peak 496 (2.80, 7.88, 121.81 ppm): 6 chemical-shift based assignments, quality = 0.766, support = 2.11, residual support = 3.41: * HB3 ASN 89 - HN LEU 90 16.667% * 76.7865% (0.76 2.66 4.40) = 76.787% kept HE3 LYS+ 32 - HN LEU 90 16.667% * 13.5585% (0.98 0.36 0.21) = 13.559% kept HB2 ASN 119 - HN LEU 90 16.667% * 5.3762% (0.44 0.32 0.02) = 5.376% kept HE3 LYS+ 111 - HN LEU 90 16.667% * 3.2923% (0.89 0.10 0.02) = 3.292% kept HA2 GLY 58 - HN LEU 90 16.667% * 0.7534% (0.99 0.02 0.02) = 0.753% HB3 ASN 119 - HN LEU 90 16.667% * 0.2331% (0.31 0.02 0.02) = 0.233% Peak 497 (4.81, 7.88, 121.81 ppm): 4 chemical-shift based assignments, quality = 0.868, support = 0.425, residual support = 0.25: HA LEU 23 - HN LEU 90 25.000% * 54.8077% (0.98 0.55 0.15) = 54.808% kept HB THR 39 - HN LEU 90 25.000% * 26.8835% (0.83 0.32 0.55) = 26.884% kept HA GLU- 18 - HN LEU 90 25.000% * 10.3964% (0.87 0.12 0.02) = 10.396% kept HA ASN 15 - HN LEU 90 25.000% * 7.9124% (0.22 0.35 0.22) = 7.912% kept Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 500 (2.11, 9.30, 121.49 ppm): 13 chemical-shift based assignments, quality = 0.556, support = 2.91, residual support = 13.9: * HB2 ASP- 28 - HN ILE 29 7.692% * 51.1330% (0.34 4.95 26.71) = 51.133% kept HG2 PRO 112 - HN ILE 29 7.692% * 29.2054% (0.86 1.12 0.85) = 29.205% kept HG2 GLU- 45 - HN ILE 29 7.692% * 8.0224% (0.65 0.41 0.15) = 8.022% kept HB VAL 105 - HN ILE 29 7.692% * 6.1919% (0.83 0.24 0.38) = 6.192% kept HB3 LEU 43 - HN ILE 29 7.692% * 2.6559% (0.96 0.09 0.02) = 2.656% kept HB VAL 87 - HN ILE 29 7.692% * 0.5999% (0.99 0.02 0.02) = 0.600% HB2 GLU- 56 - HN ILE 29 7.692% * 0.5933% (0.98 0.02 0.02) = 0.593% HB3 GLU- 75 - HN ILE 29 7.692% * 0.5731% (0.95 0.02 0.02) = 0.573% HB VAL 65 - HN ILE 29 7.692% * 0.3671% (0.61 0.02 0.02) = 0.367% HB2 MET 118 - HN ILE 29 7.692% * 0.2488% (0.41 0.02 0.02) = 0.249% HB VAL 125 - HN ILE 29 7.692% * 0.1683% (0.28 0.02 0.02) = 0.168% HB2 LYS+ 110 - HN ILE 29 7.692% * 0.1348% (0.22 0.02 0.02) = 0.135% HD3 LYS+ 110 - HN ILE 29 7.692% * 0.1060% (0.17 0.02 0.02) = 0.106% Peak 502 (1.55, 9.30, 121.49 ppm): 9 chemical-shift based assignments, quality = 0.923, support = 4.76, residual support = 53.5: * HG13 ILE 29 - HN ILE 29 11.111% * 45.5008% (1.00 5.57 61.33) = 45.501% kept HG12 ILE 29 - HN ILE 29 11.111% * 38.6708% (0.94 5.01 61.33) = 38.671% kept HG LEU 17 - HN ILE 29 11.111% * 11.0103% (0.57 2.38 17.13) = 11.010% kept QG2 THR 24 - HN ILE 29 11.111% * 4.1936% (0.98 0.52 0.62) = 4.194% kept HB3 LEU 90 - HN ILE 29 11.111% * 0.1600% (0.98 0.02 0.02) = 0.160% QB ALA 42 - HN ILE 29 11.111% * 0.1544% (0.94 0.02 0.02) = 0.154% HD3 LYS+ 81 - HN ILE 29 11.111% * 0.1186% (0.73 0.02 0.02) = 0.119% HD3 LYS+ 60 - HN ILE 29 11.111% * 0.1056% (0.65 0.02 0.02) = 0.106% HB ILE 19 - HN ILE 29 11.111% * 0.0859% (0.53 0.02 0.02) = 0.086% Peak 503 (0.95, 9.30, 121.49 ppm): 10 chemical-shift based assignments, quality = 0.926, support = 4.97, residual support = 51.9: * QG2 ILE 29 - HN ILE 29 10.000% * 80.2960% (0.99 5.89 61.33) = 80.296% kept QD1 LEU 17 - HN ILE 29 10.000% * 15.3426% (0.73 1.54 17.13) = 15.343% kept QG1 VAL 105 - HN ILE 29 10.000% * 2.5753% (0.76 0.24 0.38) = 2.575% kept QG2 VAL 105 - HN ILE 29 10.000% * 0.7636% (0.69 0.08 0.38) = 0.764% QG2 VAL 73 - HN ILE 29 10.000% * 0.2745% (1.00 0.02 0.02) = 0.275% QG2 VAL 62 - HN ILE 29 10.000% * 0.2727% (0.99 0.02 0.02) = 0.273% QG2 VAL 99 - HN ILE 29 10.000% * 0.1998% (0.73 0.02 0.02) = 0.200% HG12 ILE 68 - HN ILE 29 10.000% * 0.1131% (0.41 0.02 0.02) = 0.113% HG3 LYS+ 110 - HN ILE 29 10.000% * 0.0939% (0.34 0.02 0.02) = 0.094% QG2 VAL 80 - HN ILE 29 10.000% * 0.0686% (0.25 0.02 0.02) = 0.069% Peak 504 (8.93, 9.30, 121.49 ppm): 5 chemical-shift based assignments, quality = 0.684, support = 3.59, residual support = 26.1: * T HN PHE 21 - HN ILE 29 20.000% * 81.6402% (0.73 10.00 3.34 27.92) = 81.640% kept HN ARG+ 22 - HN ILE 29 20.000% * 15.9176% (0.53 1.00 5.38 20.80) = 15.918% kept HN THR 96 - HN ILE 29 20.000% * 1.2949% (0.61 1.00 0.38 0.02) = 1.295% kept HN GLN 102 - HN ILE 29 20.000% * 0.9229% (0.37 1.00 0.44 0.02) = 0.923% HN LEU 17 - HN ILE 29 20.000% * 0.2245% (0.17 1.00 0.23 17.13) = 0.224% Peak 505 (2.97, 9.30, 121.49 ppm): 4 chemical-shift based assignments, quality = 0.82, support = 3.75, residual support = 23.8: * HB2 PHE 21 - HN ILE 29 25.000% * 85.3883% (0.87 4.28 27.92) = 85.388% kept HE3 LYS+ 113 - HN ILE 29 25.000% * 10.4510% (0.57 0.80 0.02) = 10.451% kept HE2 LYS+ 117 - HN ILE 29 25.000% * 4.0328% (0.53 0.33 0.02) = 4.033% kept HE3 LYS+ 55 - HN ILE 29 25.000% * 0.1279% (0.28 0.02 0.02) = 0.128% Peak 506 (1.37, 8.21, 121.57 ppm): 8 chemical-shift based assignments, quality = 0.613, support = 1.65, residual support = 4.49: HB3 LEU 17 - HN VAL 94 12.500% * 46.9340% (0.56 2.69 7.19) = 46.934% kept * HB3 LYS+ 20 - HN VAL 94 12.500% * 24.2772% (0.71 1.10 4.01) = 24.277% kept HG3 LYS+ 81 - HN VAL 94 12.500% * 9.8386% (0.46 0.68 0.28) = 9.839% kept HG2 LYS+ 78 - HN VAL 94 12.500% * 9.3332% (0.82 0.37 0.02) = 9.333% kept QG2 THR 39 - HN VAL 94 12.500% * 4.6896% (0.76 0.20 0.02) = 4.690% kept HD3 LYS+ 20 - HN VAL 94 12.500% * 2.8324% (0.28 0.33 4.01) = 2.832% kept HG13 ILE 68 - HN VAL 94 12.500% * 1.6388% (0.63 0.08 0.02) = 1.639% kept QB ALA 11 - HN VAL 94 12.500% * 0.4562% (0.74 0.02 0.02) = 0.456% Peak 507 (4.27, 8.21, 121.57 ppm): 19 chemical-shift based assignments, quality = 0.768, support = 3.85, residual support = 50.7: * O HA VAL 94 - HN VAL 94 5.263% * 95.1186% (0.79 10.0 4.02 53.31) = 95.119% kept HA LEU 90 - HN VAL 94 5.263% * 2.0265% (0.63 1.0 0.54 0.02) = 2.027% kept HB3 SER 49 - HN VAL 94 5.263% * 1.3306% (0.16 1.0 1.38 0.02) = 1.331% kept HA GLU- 56 - HN VAL 94 5.263% * 0.5836% (0.80 1.0 0.12 1.53) = 0.584% HA ARG+ 84 - HN VAL 94 5.263% * 0.0966% (0.80 1.0 0.02 0.02) = 0.097% HA SER 85 - HN VAL 94 5.263% * 0.0966% (0.80 1.0 0.02 0.02) = 0.097% HA PRO 52 - HN VAL 94 5.263% * 0.0966% (0.80 1.0 0.02 0.02) = 0.097% HA GLU- 64 - HN VAL 94 5.263% * 0.0884% (0.74 1.0 0.02 0.02) = 0.088% HA GLU- 75 - HN VAL 94 5.263% * 0.0855% (0.71 1.0 0.02 0.02) = 0.085% HA VAL 122 - HN VAL 94 5.263% * 0.0823% (0.69 1.0 0.02 0.02) = 0.082% HA ASN 119 - HN VAL 94 5.263% * 0.0558% (0.46 1.0 0.02 0.02) = 0.056% HA GLU- 107 - HN VAL 94 5.263% * 0.0558% (0.46 1.0 0.02 0.02) = 0.056% HB3 CYS 121 - HN VAL 94 5.263% * 0.0558% (0.46 1.0 0.02 0.02) = 0.056% HA ASN 76 - HN VAL 94 5.263% * 0.0519% (0.43 1.0 0.02 0.02) = 0.052% HA ALA 11 - HN VAL 94 5.263% * 0.0442% (0.37 1.0 0.02 0.02) = 0.044% HA THR 106 - HN VAL 94 5.263% * 0.0442% (0.37 1.0 0.02 0.02) = 0.044% HA CYS 121 - HN VAL 94 5.263% * 0.0405% (0.34 1.0 0.02 0.02) = 0.041% HA PRO 59 - HN VAL 94 5.263% * 0.0246% (0.20 1.0 0.02 0.02) = 0.025% HA ASP- 36 - HN VAL 94 5.263% * 0.0219% (0.18 1.0 0.02 0.02) = 0.022% Peak 508 (0.80, 8.21, 121.57 ppm): 7 chemical-shift based assignments, quality = 0.425, support = 3.3, residual support = 27.3: QD2 LEU 17 - HN VAL 94 14.286% * 46.8835% (0.50 2.82 7.19) = 46.884% kept * QG1 VAL 94 - HN VAL 94 14.286% * 44.8697% (0.31 4.36 53.31) = 44.870% kept QD2 LEU 67 - HN VAL 94 14.286% * 6.9153% (0.78 0.27 0.02) = 6.915% kept QD1 ILE 100 - HN VAL 94 14.286% * 0.4581% (0.69 0.02 0.02) = 0.458% QD2 LEU 90 - HN VAL 94 14.286% * 0.3982% (0.60 0.02 0.02) = 0.398% QG1 VAL 13 - HN VAL 94 14.286% * 0.3792% (0.14 0.08 0.02) = 0.379% QD1 ILE 29 - HN VAL 94 14.286% * 0.0960% (0.14 0.02 0.02) = 0.096% Peak 509 (8.21, 8.21, 121.57 ppm): 1 diagonal assignment: * HN VAL 94 - HN VAL 94 (0.69) kept Peak 510 (1.80, 8.21, 121.57 ppm): 12 chemical-shift based assignments, quality = 0.568, support = 1.29, residual support = 1.57: HB3 LYS+ 63 - HN VAL 94 8.333% * 40.5972% (0.87 0.84 0.45) = 40.597% kept HB3 GLU- 18 - HN VAL 94 8.333% * 35.5466% (0.27 2.38 3.64) = 35.547% kept HG3 LYS+ 63 - HN VAL 94 8.333% * 19.2299% (0.63 0.55 0.45) = 19.230% kept HB3 LYS+ 108 - HN VAL 94 8.333% * 0.9642% (0.87 0.02 0.02) = 0.964% HG2 PRO 31 - HN VAL 94 8.333% * 0.7385% (0.66 0.02 0.02) = 0.738% HB2 GLU- 109 - HN VAL 94 8.333% * 0.5861% (0.53 0.02 0.02) = 0.586% HG3 ARG+ 53 - HN VAL 94 8.333% * 0.5471% (0.49 0.02 0.02) = 0.547% HD3 LYS+ 72 - HN VAL 94 8.333% * 0.4703% (0.42 0.02 0.02) = 0.470% HB2 ARG+ 84 - HN VAL 94 8.333% * 0.3627% (0.33 0.02 0.02) = 0.363% HG3 LYS+ 108 - HN VAL 94 8.333% * 0.3296% (0.30 0.02 0.02) = 0.330% HG2 ARG+ 84 - HN VAL 94 8.333% * 0.3296% (0.30 0.02 0.02) = 0.330% HD3 LYS+ 117 - HN VAL 94 8.333% * 0.2982% (0.27 0.02 0.02) = 0.298% Peak 512 (1.69, 8.44, 121.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 513 (4.85, 8.49, 121.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 514 (1.77, 8.49, 121.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 515 (4.25, 8.49, 121.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 516 (4.36, 8.49, 121.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 517 (1.37, 8.21, 121.46 ppm): 16 chemical-shift based assignments, quality = 0.677, support = 1.64, residual support = 4.44: HB3 LEU 17 - HN VAL 94 6.250% * 46.6333% (0.65 2.69 7.19) = 46.633% kept HB3 LYS+ 20 - HN VAL 94 6.250% * 23.5915% (0.80 1.10 4.01) = 23.592% kept HG3 LYS+ 81 - HN VAL 94 6.250% * 9.9068% (0.54 0.68 0.28) = 9.907% kept HG2 LYS+ 78 - HN VAL 94 6.250% * 8.7140% (0.89 0.37 0.02) = 8.714% kept QG2 THR 39 - HN VAL 94 6.250% * 4.2822% (0.80 0.20 0.02) = 4.282% kept HD3 LYS+ 20 - HN VAL 94 6.250% * 2.4088% (0.28 0.33 4.01) = 2.409% kept HG13 ILE 68 - HN VAL 105 6.250% * 1.9038% (0.17 0.43 0.60) = 1.904% kept HG13 ILE 68 - HN VAL 94 6.250% * 1.4635% (0.65 0.08 0.02) = 1.464% kept QB ALA 11 - HN VAL 94 6.250% * 0.4414% (0.83 0.02 0.02) = 0.441% HG2 LYS+ 78 - HN VAL 105 6.250% * 0.1213% (0.23 0.02 0.02) = 0.121% QB ALA 11 - HN VAL 105 6.250% * 0.1130% (0.21 0.02 0.02) = 0.113% QG2 THR 39 - HN VAL 105 6.250% * 0.1098% (0.21 0.02 0.02) = 0.110% HB3 LYS+ 20 - HN VAL 105 6.250% * 0.1098% (0.21 0.02 0.02) = 0.110% HB3 LEU 17 - HN VAL 105 6.250% * 0.0889% (0.17 0.02 0.02) = 0.089% HG3 LYS+ 81 - HN VAL 105 6.250% * 0.0742% (0.14 0.02 0.31) = 0.074% HD3 LYS+ 20 - HN VAL 105 6.250% * 0.0378% (0.07 0.02 0.02) = 0.038% Reference assignment not found: QB ALA 93 - HN VAL 94 Peak 518 (1.84, 8.21, 121.46 ppm): 26 chemical-shift based assignments, quality = 0.454, support = 3.5, residual support = 40.4: * O HB VAL 94 - HN VAL 94 3.846% * 71.3240% (0.53 10.0 3.93 53.31) = 71.324% kept O HB2 PRO 104 - HN VAL 105 3.846% * 24.6648% (0.18 10.0 2.77 9.44) = 24.665% kept HB2 LYS+ 66 - HN VAL 94 3.846% * 2.3028% (0.81 1.0 0.43 0.02) = 2.303% kept HB3 LYS+ 60 - HN VAL 94 3.846% * 1.0677% (0.76 1.0 0.21 0.02) = 1.068% kept HB3 LYS+ 72 - HN VAL 94 3.846% * 0.0989% (0.74 1.0 0.02 0.02) = 0.099% HB2 PRO 104 - HN VAL 94 3.846% * 0.0956% (0.72 1.0 0.02 0.02) = 0.096% HB2 PRO 59 - HN VAL 94 3.846% * 0.0801% (0.60 1.0 0.02 0.02) = 0.080% HD2 PRO 59 - HN VAL 94 3.846% * 0.0669% (0.50 1.0 0.02 0.02) = 0.067% HD3 LYS+ 117 - HN VAL 94 3.846% * 0.0307% (0.23 1.0 0.02 0.02) = 0.031% HB2 LYS+ 66 - HN VAL 105 3.846% * 0.0279% (0.21 1.0 0.02 0.02) = 0.028% HG3 LYS+ 108 - HN VAL 94 3.846% * 0.0275% (0.21 1.0 0.02 0.02) = 0.027% HB3 LYS+ 60 - HN VAL 105 3.846% * 0.0262% (0.20 1.0 0.02 0.02) = 0.026% HB3 LYS+ 72 - HN VAL 105 3.846% * 0.0255% (0.19 1.0 0.02 0.02) = 0.026% HB2 PRO 59 - HN VAL 105 3.846% * 0.0206% (0.15 1.0 0.02 0.02) = 0.021% HB3 ARG+ 84 - HN VAL 94 3.846% * 0.0193% (0.14 1.0 0.02 0.02) = 0.019% HB VAL 94 - HN VAL 105 3.846% * 0.0184% (0.14 1.0 0.02 0.02) = 0.018% HG2 PRO 112 - HN VAL 94 3.846% * 0.0183% (0.14 1.0 0.02 0.02) = 0.018% HD2 PRO 59 - HN VAL 105 3.846% * 0.0172% (0.13 1.0 0.02 0.02) = 0.017% HD3 LYS+ 72 - HN VAL 94 3.846% * 0.0170% (0.13 1.0 0.02 0.02) = 0.017% HD3 PRO 52 - HN VAL 94 3.846% * 0.0170% (0.13 1.0 0.02 0.02) = 0.017% HD3 LYS+ 117 - HN VAL 105 3.846% * 0.0079% (0.06 1.0 0.02 0.02) = 0.008% HG3 LYS+ 108 - HN VAL 105 3.846% * 0.0071% (0.05 1.0 0.02 0.02) = 0.007% HB3 ARG+ 84 - HN VAL 105 3.846% * 0.0050% (0.04 1.0 0.02 0.02) = 0.005% HG2 PRO 112 - HN VAL 105 3.846% * 0.0047% (0.04 1.0 0.02 0.02) = 0.005% HD3 LYS+ 72 - HN VAL 105 3.846% * 0.0044% (0.03 1.0 0.02 0.02) = 0.004% HD3 PRO 52 - HN VAL 105 3.846% * 0.0044% (0.03 1.0 0.02 0.02) = 0.004% Peak 519 (0.83, 8.21, 121.46 ppm): 16 chemical-shift based assignments, quality = 0.69, support = 3.67, residual support = 36.4: * QG1 VAL 94 - HN VAL 94 6.250% * 64.0435% (0.78 4.36 53.31) = 64.044% kept QD2 LEU 17 - HN VAL 94 6.250% * 30.8808% (0.58 2.82 7.19) = 30.881% kept QG1 VAL 13 - HN VAL 94 6.250% * 1.3342% (0.89 0.08 0.02) = 1.334% kept QD2 LEU 67 - HN VAL 94 6.250% * 1.2552% (0.25 0.27 0.02) = 1.255% kept QG1 VAL 94 - HN VAL 105 6.250% * 0.9601% (0.20 0.26 0.02) = 0.960% QD1 ILE 29 - HN VAL 94 6.250% * 0.3379% (0.89 0.02 0.02) = 0.338% HG2 LYS+ 117 - HN VAL 94 6.250% * 0.3204% (0.85 0.02 0.02) = 0.320% QG2 VAL 13 - HN VAL 94 6.250% * 0.2459% (0.65 0.02 0.02) = 0.246% QD2 LEU 90 - HN VAL 94 6.250% * 0.1782% (0.47 0.02 0.02) = 0.178% QG1 VAL 13 - HN VAL 105 6.250% * 0.0865% (0.23 0.02 0.02) = 0.086% QD1 ILE 29 - HN VAL 105 6.250% * 0.0865% (0.23 0.02 0.38) = 0.086% HG2 LYS+ 117 - HN VAL 105 6.250% * 0.0820% (0.22 0.02 0.02) = 0.082% QG2 VAL 13 - HN VAL 105 6.250% * 0.0629% (0.17 0.02 0.02) = 0.063% QD2 LEU 17 - HN VAL 105 6.250% * 0.0561% (0.15 0.02 0.02) = 0.056% QD2 LEU 90 - HN VAL 105 6.250% * 0.0456% (0.12 0.02 0.02) = 0.046% QD2 LEU 67 - HN VAL 105 6.250% * 0.0241% (0.06 0.02 0.02) = 0.024% Peak 520 (8.21, 8.21, 121.46 ppm): 2 diagonal assignments: * HN VAL 94 - HN VAL 94 (0.72) kept HN VAL 105 - HN VAL 105 (0.19) kept Peak 521 (4.34, 8.21, 121.46 ppm): 8 chemical-shift based assignments, quality = 0.248, support = 2.93, residual support = 11.1: * O HA ALA 93 - HN VAL 94 12.500% * 99.7138% (0.25 10.0 2.94 11.08) = 99.714% kept HA2 GLY 26 - HN VAL 94 12.500% * 0.0894% (0.22 1.0 0.02 0.02) = 0.089% HB THR 61 - HN VAL 94 12.500% * 0.0628% (0.16 1.0 0.02 0.02) = 0.063% HA ILE 29 - HN VAL 94 12.500% * 0.0553% (0.14 1.0 0.02 0.02) = 0.055% HA ALA 93 - HN VAL 105 12.500% * 0.0255% (0.06 1.0 0.02 0.02) = 0.026% HA2 GLY 26 - HN VAL 105 12.500% * 0.0229% (0.06 1.0 0.02 0.02) = 0.023% HB THR 61 - HN VAL 105 12.500% * 0.0161% (0.04 1.0 0.02 0.02) = 0.016% HA ILE 29 - HN VAL 105 12.500% * 0.0142% (0.04 1.0 0.02 0.38) = 0.014% Peak 522 (4.55, 8.22, 121.46 ppm): 8 chemical-shift based assignments, quality = 0.735, support = 1.26, residual support = 5.26: HA LEU 17 - HN VAL 94 12.500% * 72.5331% (0.89 1.35 7.19) = 72.533% kept HA LYS+ 78 - HN VAL 94 12.500% * 14.0649% (0.56 0.42 0.02) = 14.065% kept HA ALA 103 - HN VAL 105 12.500% * 12.1973% (0.11 1.82 0.39) = 12.197% kept HA ALA 103 - HN VAL 94 12.500% * 0.5367% (0.44 0.02 0.02) = 0.537% HA LEU 17 - HN VAL 105 12.500% * 0.2680% (0.22 0.02 0.02) = 0.268% HA LYS+ 72 - HN VAL 94 12.500% * 0.1847% (0.15 0.02 0.02) = 0.185% HA LYS+ 78 - HN VAL 105 12.500% * 0.1692% (0.14 0.02 0.02) = 0.169% HA LYS+ 72 - HN VAL 105 12.500% * 0.0461% (0.04 0.02 0.02) = 0.046% Peak 523 (2.88, 8.22, 121.46 ppm): 6 chemical-shift based assignments, quality = 0.297, support = 0.303, residual support = 0.256: HE3 LYS+ 81 - HN VAL 94 16.667% * 87.7454% (0.31 0.34 0.28) = 87.745% kept HB3 ASN 57 - HN VAL 94 16.667% * 6.2247% (0.37 0.02 0.02) = 6.225% kept HB2 HIS+ 98 - HN VAL 94 16.667% * 2.5591% (0.15 0.02 0.02) = 2.559% kept HB3 ASN 57 - HN VAL 105 16.667% * 1.5540% (0.09 0.02 0.02) = 1.554% kept HE3 LYS+ 81 - HN VAL 105 16.667% * 1.2780% (0.08 0.02 0.31) = 1.278% kept HB2 HIS+ 98 - HN VAL 105 16.667% * 0.6389% (0.04 0.02 0.02) = 0.639% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 525 (8.81, 8.82, 121.40 ppm): 1 diagonal assignment: * HN LYS+ 32 - HN LYS+ 32 (0.89) kept Peak 526 (4.96, 8.82, 121.40 ppm): 5 chemical-shift based assignments, quality = 0.652, support = 0.825, residual support = 6.57: HA ALA 33 - HN LYS+ 32 20.000% * 36.7474% (0.48 1.31 17.04) = 36.747% kept HA ILE 101 - HN LYS+ 32 20.000% * 29.7243% (0.68 0.75 1.03) = 29.724% kept HA HIS+ 98 - HN LYS+ 32 20.000% * 18.9182% (0.94 0.35 0.02) = 18.918% kept HA MET 97 - HN LYS+ 32 20.000% * 14.4080% (0.64 0.39 0.02) = 14.408% kept HA SER 69 - HN LYS+ 32 20.000% * 0.2021% (0.17 0.02 0.02) = 0.202% Reference assignment not found: HA PRO 31 - HN LYS+ 32 Peak 527 (1.98, 8.82, 121.40 ppm): 12 chemical-shift based assignments, quality = 0.857, support = 0.314, residual support = 0.648: HB2 PRO 86 - HN LYS+ 32 8.333% * 51.1119% (0.99 0.41 1.25) = 51.112% kept HB VAL 73 - HN LYS+ 32 8.333% * 30.1113% (0.86 0.28 0.02) = 30.111% kept HB2 PRO 35 - HN LYS+ 32 8.333% * 7.0160% (0.25 0.23 0.02) = 7.016% kept HB3 GLU- 56 - HN LYS+ 32 8.333% * 2.4393% (0.98 0.02 0.02) = 2.439% kept HG3 PRO 104 - HN LYS+ 32 8.333% * 2.2973% (0.92 0.02 0.02) = 2.297% kept HB2 LYS+ 108 - HN LYS+ 32 8.333% * 2.2318% (0.89 0.02 0.02) = 2.232% kept HG2 PRO 112 - HN LYS+ 32 8.333% * 1.1880% (0.48 0.02 0.02) = 1.188% kept HB3 GLU- 109 - HN LYS+ 32 8.333% * 1.1157% (0.45 0.02 0.02) = 1.116% kept HB VAL 13 - HN LYS+ 32 8.333% * 0.8489% (0.34 0.02 0.02) = 0.849% HG3 PRO 116 - HN LYS+ 32 8.333% * 0.7681% (0.31 0.02 0.02) = 0.768% HB3 MET 118 - HN LYS+ 32 8.333% * 0.4358% (0.17 0.02 0.02) = 0.436% HB2 HIS+ 14 - HN LYS+ 32 8.333% * 0.4358% (0.17 0.02 0.02) = 0.436% Reference assignment not found: HB2 GLU- 18 - HN LYS+ 32 Peak 528 (1.58, 8.82, 121.40 ppm): 12 chemical-shift based assignments, quality = 0.751, support = 2.32, residual support = 33.6: * O HB3 LYS+ 32 - HN LYS+ 32 8.333% * 84.3426% (0.76 10.0 2.52 38.07) = 84.343% kept HB ILE 19 - HN LYS+ 32 8.333% * 4.9863% (0.89 1.0 1.01 0.49) = 4.986% kept HD3 LYS+ 32 - HN LYS+ 32 8.333% * 3.8220% (0.28 1.0 2.49 38.07) = 3.822% kept HG LEU 17 - HN LYS+ 32 8.333% * 3.8134% (0.86 1.0 0.80 0.59) = 3.813% kept HD3 LYS+ 60 - HN LYS+ 32 8.333% * 2.7433% (0.80 1.0 0.62 0.16) = 2.743% kept HD3 LYS+ 81 - HN LYS+ 32 8.333% * 0.0801% (0.72 1.0 0.02 0.02) = 0.080% QB ALA 42 - HN LYS+ 32 8.333% * 0.0495% (0.45 1.0 0.02 0.02) = 0.049% HG12 ILE 29 - HN LYS+ 32 8.333% * 0.0495% (0.45 1.0 0.02 0.02) = 0.049% HB3 LEU 90 - HN LYS+ 32 8.333% * 0.0414% (0.37 1.0 0.02 0.21) = 0.041% HG13 ILE 29 - HN LYS+ 32 8.333% * 0.0307% (0.28 1.0 0.02 0.02) = 0.031% QG2 THR 24 - HN LYS+ 32 8.333% * 0.0218% (0.20 1.0 0.02 0.02) = 0.022% HB3 PRO 52 - HN LYS+ 32 8.333% * 0.0193% (0.17 1.0 0.02 0.02) = 0.019% Peak 529 (4.46, 8.82, 121.40 ppm): 8 chemical-shift based assignments, quality = 0.518, support = 2.46, residual support = 34.3: * O HA LYS+ 32 - HN LYS+ 32 12.500% * 89.9632% (0.48 10.0 2.68 38.07) = 89.963% kept HA ILE 100 - HN LYS+ 32 12.500% * 4.9462% (0.86 1.0 0.62 0.02) = 4.946% kept HA GLN 102 - HN LYS+ 32 12.500% * 4.5983% (0.86 1.0 0.57 1.39) = 4.598% kept HA GLU- 50 - HN LYS+ 32 12.500% * 0.1706% (0.92 1.0 0.02 0.02) = 0.171% HA MET 118 - HN LYS+ 32 12.500% * 0.1412% (0.76 1.0 0.02 0.02) = 0.141% HA MET 126 - HN LYS+ 32 12.500% * 0.1270% (0.68 1.0 0.02 0.02) = 0.127% HB THR 24 - HN LYS+ 32 12.500% * 0.0285% (0.15 1.0 0.02 0.02) = 0.029% HA LYS+ 111 - HN LYS+ 32 12.500% * 0.0250% (0.13 1.0 0.02 0.02) = 0.025% Peak 530 (4.73, 8.82, 121.40 ppm): 4 chemical-shift based assignments, quality = 0.461, support = 1.87, residual support = 3.43: HA2 GLY 30 - HN LYS+ 32 25.000% * 58.4326% (0.41 2.71 5.73) = 58.433% kept * HA LYS+ 20 - HN LYS+ 32 25.000% * 24.6409% (0.72 0.65 0.16) = 24.641% kept HA THR 61 - HN LYS+ 32 25.000% * 11.5430% (0.22 0.99 0.40) = 11.543% kept HA THR 39 - HN LYS+ 32 25.000% * 5.3836% (0.34 0.30 0.02) = 5.384% kept Peak 531 (8.96, 8.82, 121.40 ppm): 6 chemical-shift based assignments, quality = 0.813, support = 0.61, residual support = 0.459: T HN LEU 17 - HN LYS+ 32 16.667% * 48.2937% (1.00 10.00 0.63 0.59) = 48.294% kept * T HN ILE 19 - HN LYS+ 32 16.667% * 34.8882% (0.60 10.00 0.75 0.49) = 34.888% kept T HN THR 96 - HN LYS+ 32 16.667% * 10.0769% (0.68 10.00 0.19 0.02) = 10.077% kept HN MET 97 - HN LYS+ 32 16.667% * 3.0308% (0.94 1.00 0.42 0.02) = 3.031% kept HN ARG+ 22 - HN LYS+ 32 16.667% * 2.0737% (0.76 1.00 0.35 0.02) = 2.074% kept HN PHE 21 - HN LYS+ 32 16.667% * 1.6367% (0.56 1.00 0.38 0.02) = 1.637% kept Peak 532 (7.31, 8.82, 121.40 ppm): 7 chemical-shift based assignments, quality = 0.605, support = 1.32, residual support = 6.7: QD PHE 34 - HN LYS+ 32 14.286% * 30.9525% (0.86 1.31 9.22) = 30.953% kept * QE PHE 34 - HN LYS+ 32 14.286% * 23.5511% (0.41 2.10 9.22) = 23.551% kept HZ PHE 34 - HN LYS+ 32 14.286% * 16.5373% (0.41 1.47 9.22) = 16.537% kept HN ILE 48 - HN LYS+ 32 14.286% * 10.2326% (0.52 0.71 0.12) = 10.233% kept HZ2 TRP 51 - HN LYS+ 32 14.286% * 9.2684% (0.41 0.83 1.46) = 9.268% kept HN VAL 47 - HN LYS+ 32 14.286% * 8.9414% (0.92 0.35 0.02) = 8.941% kept HN ARG+ 84 - HN LYS+ 32 14.286% * 0.5167% (0.94 0.02 0.02) = 0.517% Peak 535 (0.94, 8.30, 121.53 ppm): 10 chemical-shift based assignments, quality = 0.453, support = 1.6, residual support = 13.4: * QG2 VAL 99 - HN VAL 99 10.000% * 61.8200% (0.36 2.42 21.50) = 61.820% kept QD1 LEU 17 - HN VAL 99 10.000% * 20.0524% (0.76 0.37 0.32) = 20.052% kept QG2 VAL 80 - HN VAL 99 10.000% * 7.9053% (0.39 0.28 0.02) = 7.905% kept HG12 ILE 68 - HN VAL 99 10.000% * 4.3584% (0.55 0.11 0.02) = 4.358% kept QG1 VAL 105 - HN VAL 99 10.000% * 1.1003% (0.77 0.02 0.02) = 1.100% kept QG2 VAL 62 - HN VAL 99 10.000% * 1.0785% (0.76 0.02 1.04) = 1.078% kept QG2 VAL 105 - HN VAL 99 10.000% * 1.0524% (0.74 0.02 0.02) = 1.052% kept QG2 VAL 73 - HN VAL 99 10.000% * 0.9889% (0.70 0.02 0.02) = 0.989% QG2 ILE 29 - HN VAL 99 10.000% * 0.9523% (0.67 0.02 0.02) = 0.952% HG3 LYS+ 110 - HN VAL 99 10.000% * 0.6915% (0.49 0.02 0.02) = 0.691% Peak 536 (2.16, 8.30, 121.53 ppm): 10 chemical-shift based assignments, quality = 0.313, support = 2.38, residual support = 20.4: * O HB VAL 99 - HN VAL 99 10.000% * 95.0662% (0.31 10.0 2.49 21.50) = 95.066% kept HG2 GLN 102 - HN VAL 99 10.000% * 2.7589% (0.53 1.0 0.34 0.02) = 2.759% kept HB2 ASP- 82 - HN VAL 99 10.000% * 1.0258% (0.50 1.0 0.13 0.02) = 1.026% kept HG2 PRO 104 - HN VAL 99 10.000% * 0.2511% (0.82 1.0 0.02 0.02) = 0.251% HG2 PRO 112 - HN VAL 99 10.000% * 0.2424% (0.79 1.0 0.02 0.02) = 0.242% HB VAL 47 - HN VAL 99 10.000% * 0.2028% (0.66 1.0 0.02 0.26) = 0.203% HB3 LYS+ 78 - HN VAL 99 10.000% * 0.1639% (0.53 1.0 0.02 0.02) = 0.164% HB3 GLU- 75 - HN VAL 99 10.000% * 0.1285% (0.42 1.0 0.02 0.02) = 0.128% HB3 PRO 104 - HN VAL 99 10.000% * 0.1041% (0.34 1.0 0.02 0.02) = 0.104% HB2 ASP- 28 - HN VAL 99 10.000% * 0.0564% (0.18 1.0 0.02 0.44) = 0.056% Peak 537 (4.92, 8.30, 121.53 ppm): 2 chemical-shift based assignments, quality = 0.253, support = 0.793, residual support = 2.62: HA ILE 101 - HN VAL 99 50.000% * 96.3084% (0.25 0.82 2.72) = 96.308% kept HA ALA 33 - HN VAL 99 50.000% * 3.6916% (0.39 0.02 0.02) = 3.692% kept Peak 538 (3.15, 8.30, 121.53 ppm): 6 chemical-shift based assignments, quality = 0.669, support = 3.08, residual support = 12.3: * HB3 HIS+ 98 - HN VAL 99 16.667% * 93.0376% (0.70 3.29 13.22) = 93.038% kept HD3 ARG+ 84 - HN VAL 99 16.667% * 3.8187% (0.25 0.38 0.02) = 3.819% kept HB3 PHE 34 - HN VAL 99 16.667% * 2.5592% (0.49 0.13 0.02) = 2.559% kept HE3 LYS+ 117 - HN VAL 99 16.667% * 0.2015% (0.25 0.02 0.02) = 0.201% HE3 LYS+ 108 - HN VAL 99 16.667% * 0.2015% (0.25 0.02 0.02) = 0.201% HE3 LYS+ 72 - HN VAL 99 16.667% * 0.1815% (0.22 0.02 0.02) = 0.181% Peak 539 (2.89, 8.30, 121.53 ppm): 3 chemical-shift based assignments, quality = 0.207, support = 2.99, residual support = 10.5: * HB2 HIS+ 98 - HN VAL 99 33.333% * 79.0899% (0.18 3.65 13.22) = 79.090% kept HE3 LYS+ 81 - HN VAL 99 33.333% * 19.9628% (0.33 0.50 0.36) = 19.963% kept HB3 ASN 57 - HN VAL 99 33.333% * 0.9473% (0.39 0.02 0.02) = 0.947% Peak 540 (1.66, 8.30, 121.53 ppm): 10 chemical-shift based assignments, quality = 0.677, support = 2.91, residual support = 9.2: HB ILE 100 - HN VAL 99 10.000% * 45.3055% (0.81 3.34 13.75) = 45.305% kept HG2 ARG+ 22 - HN VAL 99 10.000% * 27.0147% (0.43 3.71 9.56) = 27.015% kept HB3 MET 97 - HN VAL 99 10.000% * 21.6798% (0.76 1.70 1.69) = 21.680% kept HB3 LYS+ 81 - HN VAL 99 10.000% * 5.0093% (0.60 0.50 0.36) = 5.009% kept HB3 LYS+ 66 - HN VAL 99 10.000% * 0.2740% (0.82 0.02 0.02) = 0.274% HG3 ARG+ 84 - HN VAL 99 10.000% * 0.2710% (0.81 0.02 0.02) = 0.271% HB3 MET 126 - HN VAL 99 10.000% * 0.2398% (0.71 0.02 0.02) = 0.240% HD3 LYS+ 55 - HN VAL 99 10.000% * 0.0943% (0.28 0.02 0.02) = 0.094% HG13 ILE 19 - HN VAL 99 10.000% * 0.0689% (0.21 0.02 0.02) = 0.069% HG2 PRO 52 - HN VAL 99 10.000% * 0.0427% (0.13 0.02 0.52) = 0.043% Peak 541 (0.58, 8.31, 121.53 ppm): 3 chemical-shift based assignments, quality = 0.608, support = 2.74, residual support = 10.7: * QD1 LEU 23 - HN VAL 99 33.333% * 72.0527% (0.69 3.05 13.87) = 72.053% kept QD1 ILE 101 - HN VAL 99 33.333% * 27.3933% (0.41 1.98 2.72) = 27.393% kept QG2 VAL 122 - HN VAL 99 33.333% * 0.5540% (0.81 0.02 0.02) = 0.554% Peak 542 (4.98, 8.30, 121.53 ppm): 5 chemical-shift based assignments, quality = 0.304, support = 2.63, residual support = 9.24: * O HA HIS+ 98 - HN VAL 99 20.000% * 65.6253% (0.13 10.0 3.00 13.22) = 65.625% kept HA MET 97 - HN VAL 99 20.000% * 33.4825% (0.66 1.0 1.97 1.69) = 33.483% kept HA SER 69 - HN VAL 99 20.000% * 0.4105% (0.79 1.0 0.02 0.02) = 0.410% HA PRO 31 - HN VAL 99 20.000% * 0.2580% (0.50 1.0 0.02 0.02) = 0.258% HA ILE 68 - HN VAL 99 20.000% * 0.2238% (0.43 1.0 0.02 0.02) = 0.224% Peak 543 (4.76, 8.46, 121.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 544 (4.35, 8.46, 121.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 545 (8.08, 8.09, 121.23 ppm): 1 diagonal assignment: * HN LYS+ 110 - HN LYS+ 110 (0.86) kept Peak 546 (1.61, 8.09, 121.23 ppm): 10 chemical-shift based assignments, quality = 0.78, support = 2.1, residual support = 12.1: * HG2 LYS+ 110 - HN LYS+ 110 10.000% * 75.8295% (0.87 2.65 15.91) = 75.830% kept HG12 ILE 101 - HN LYS+ 110 10.000% * 8.1783% (0.42 0.59 0.77) = 8.178% kept HD3 LYS+ 32 - HN LYS+ 110 10.000% * 8.0092% (0.78 0.31 0.02) = 8.009% kept HB3 LYS+ 32 - HN LYS+ 110 10.000% * 4.6784% (0.36 0.40 0.02) = 4.678% kept HG LEU 43 - HN LYS+ 110 10.000% * 1.4447% (0.46 0.10 0.11) = 1.445% kept HB3 PRO 52 - HN LYS+ 110 10.000% * 0.5619% (0.85 0.02 0.02) = 0.562% HG3 LYS+ 78 - HN LYS+ 110 10.000% * 0.4590% (0.70 0.02 0.02) = 0.459% HB VAL 122 - HN LYS+ 110 10.000% * 0.3016% (0.46 0.02 0.02) = 0.302% HB ILE 68 - HN LYS+ 110 10.000% * 0.3016% (0.46 0.02 0.02) = 0.302% HG LEU 23 - HN LYS+ 110 10.000% * 0.2357% (0.36 0.02 0.02) = 0.236% Peak 547 (8.07, 8.08, 121.15 ppm): 1 diagonal assignment: * HN LYS+ 110 - HN LYS+ 110 (0.68) kept Peak 548 (2.21, 8.08, 121.15 ppm): 14 chemical-shift based assignments, quality = 0.623, support = 1.76, residual support = 3.82: * HG3 GLU- 109 - HN LYS+ 110 7.143% * 73.2968% (0.56 2.35 5.21) = 73.297% kept HG3 MET 126 - HN LYS+ 110 7.143% * 13.3396% (0.98 0.24 0.02) = 13.340% kept HG3 GLU- 18 - HN LYS+ 110 7.143% * 3.7336% (0.79 0.08 0.02) = 3.734% kept HG3 GLN 102 - HN LYS+ 110 7.143% * 3.4395% (0.68 0.09 0.02) = 3.440% kept HG2 PRO 112 - HN LYS+ 110 7.143% * 1.1016% (0.98 0.02 0.02) = 1.102% kept HG3 MET 97 - HN LYS+ 110 7.143% * 1.0434% (0.93 0.02 0.02) = 1.043% kept HA1 GLY 58 - HN LYS+ 110 7.143% * 1.0434% (0.93 0.02 0.02) = 1.043% kept HB2 GLU- 50 - HN LYS+ 110 7.143% * 0.9568% (0.86 0.02 0.02) = 0.957% HG2 MET 126 - HN LYS+ 110 7.143% * 0.6690% (0.60 0.02 0.02) = 0.669% HB2 PRO 52 - HN LYS+ 110 7.143% * 0.6245% (0.56 0.02 0.02) = 0.624% HB3 GLU- 45 - HN LYS+ 110 7.143% * 0.2183% (0.20 0.02 0.11) = 0.218% HB VAL 99 - HN LYS+ 110 7.143% * 0.1932% (0.17 0.02 0.02) = 0.193% HG3 GLN 16 - HN LYS+ 110 7.143% * 0.1702% (0.15 0.02 0.02) = 0.170% HB3 PRO 104 - HN LYS+ 110 7.143% * 0.1702% (0.15 0.02 0.02) = 0.170% Peak 549 (4.22, 8.08, 121.15 ppm): 10 chemical-shift based assignments, quality = 0.895, support = 1.88, residual support = 4.86: * O HA GLU- 109 - HN LYS+ 110 10.000% * 92.9574% (0.91 10.0 1.95 5.21) = 92.957% kept HA GLU- 12 - HN LYS+ 110 10.000% * 3.4567% (0.98 1.0 0.68 0.02) = 3.457% kept HA LYS+ 108 - HN LYS+ 110 10.000% * 3.1847% (0.48 1.0 1.27 0.39) = 3.185% kept HA SER 49 - HN LYS+ 110 10.000% * 0.0789% (0.75 1.0 0.02 0.02) = 0.079% HA ALA 42 - HN LYS+ 110 10.000% * 0.0709% (0.68 1.0 0.02 0.34) = 0.071% HA ASP- 82 - HN LYS+ 110 10.000% * 0.0668% (0.64 1.0 0.02 0.02) = 0.067% HB3 SER 49 - HN LYS+ 110 10.000% * 0.0584% (0.56 1.0 0.02 0.02) = 0.058% HA GLU- 10 - HN LYS+ 110 10.000% * 0.0502% (0.48 1.0 0.02 0.02) = 0.050% HA GLU- 54 - HN LYS+ 110 10.000% * 0.0502% (0.48 1.0 0.02 0.02) = 0.050% HA PRO 59 - HN LYS+ 110 10.000% * 0.0257% (0.25 1.0 0.02 0.02) = 0.026% Peak 550 (1.61, 8.08, 121.15 ppm): 10 chemical-shift based assignments, quality = 0.883, support = 2.1, residual support = 12.1: * HG2 LYS+ 110 - HN LYS+ 110 10.000% * 75.7343% (0.99 2.65 15.91) = 75.734% kept HG12 ILE 101 - HN LYS+ 110 10.000% * 8.8091% (0.52 0.59 0.77) = 8.809% kept HD3 LYS+ 32 - HN LYS+ 110 10.000% * 7.7198% (0.86 0.31 0.02) = 7.720% kept HB3 LYS+ 32 - HN LYS+ 110 10.000% * 4.2562% (0.37 0.40 0.02) = 4.256% kept HG LEU 43 - HN LYS+ 110 10.000% * 1.5493% (0.56 0.10 0.11) = 1.549% kept HB3 PRO 52 - HN LYS+ 110 10.000% * 0.5513% (0.95 0.02 0.02) = 0.551% HG3 LYS+ 78 - HN LYS+ 110 10.000% * 0.4772% (0.82 0.02 0.02) = 0.477% HB VAL 122 - HN LYS+ 110 10.000% * 0.3234% (0.56 0.02 0.02) = 0.323% HB ILE 68 - HN LYS+ 110 10.000% * 0.3234% (0.56 0.02 0.02) = 0.323% HG LEU 23 - HN LYS+ 110 10.000% * 0.2561% (0.44 0.02 0.02) = 0.256% Peak 551 (4.75, 8.08, 121.15 ppm): 2 chemical-shift based assignments, quality = 0.156, support = 0.02, residual support = 0.02: HA ASN 15 - HN LYS+ 110 50.000% * 56.4090% (0.17 0.02 0.02) = 56.409% kept HA LYS+ 20 - HN LYS+ 110 50.000% * 43.5910% (0.13 0.02 0.02) = 43.591% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 554 (2.02, 8.21, 121.12 ppm): 30 chemical-shift based assignments, quality = 0.352, support = 1.11, residual support = 1.35: HB2 GLU- 18 - HN VAL 94 3.333% * 36.4902% (0.15 2.31 3.64) = 36.490% kept HG3 GLU- 64 - HN VAL 94 3.333% * 17.1497% (0.14 1.18 0.02) = 17.150% kept HB3 GLU- 107 - HN VAL 105 3.333% * 12.8228% (0.92 0.13 0.11) = 12.823% kept HB3 GLU- 64 - HN VAL 94 3.333% * 6.6480% (0.16 0.40 0.02) = 6.648% kept HB3 GLU- 75 - HN VAL 94 3.333% * 3.9381% (0.07 0.53 0.02) = 3.938% kept HG2 PRO 116 - HN VAL 105 3.333% * 1.9108% (0.91 0.02 0.02) = 1.911% kept HB3 PRO 31 - HN VAL 105 3.333% * 1.8605% (0.89 0.02 0.02) = 1.861% kept HB3 GLU- 64 - HN VAL 105 3.333% * 1.7797% (0.85 0.02 0.02) = 1.780% kept HB3 GLU- 10 - HN VAL 105 3.333% * 1.7797% (0.85 0.02 0.02) = 1.780% kept HB2 GLU- 18 - HN VAL 105 3.333% * 1.6723% (0.80 0.02 0.02) = 1.672% kept HG3 PRO 112 - HN VAL 105 3.333% * 1.6103% (0.77 0.02 0.02) = 1.610% kept HB3 GLU- 54 - HN VAL 105 3.333% * 1.6103% (0.77 0.02 0.02) = 1.610% kept HG3 GLU- 64 - HN VAL 105 3.333% * 1.5437% (0.74 0.02 0.02) = 1.544% kept HB3 MET 118 - HN VAL 105 3.333% * 1.4733% (0.71 0.02 0.02) = 1.473% kept HB2 HIS+ 14 - HN VAL 105 3.333% * 1.4733% (0.71 0.02 0.02) = 1.473% kept HG2 PRO 112 - HN VAL 105 3.333% * 1.1458% (0.55 0.02 0.02) = 1.146% kept HB3 LYS+ 110 - HN VAL 105 3.333% * 0.9384% (0.45 0.02 0.02) = 0.938% HB3 GLU- 75 - HN VAL 105 3.333% * 0.7865% (0.38 0.02 0.02) = 0.786% HB3 GLU- 107 - HN VAL 94 3.333% * 0.3627% (0.17 0.02 0.02) = 0.363% HG2 PRO 116 - HN VAL 94 3.333% * 0.3603% (0.17 0.02 0.02) = 0.360% HB3 PRO 31 - HN VAL 94 3.333% * 0.3508% (0.17 0.02 0.02) = 0.351% HG3 PRO 86 - HN VAL 105 3.333% * 0.3376% (0.16 0.02 0.02) = 0.338% HB3 GLU- 10 - HN VAL 94 3.333% * 0.3356% (0.16 0.02 0.02) = 0.336% HB3 GLU- 54 - HN VAL 94 3.333% * 0.3036% (0.15 0.02 0.02) = 0.304% HG3 PRO 112 - HN VAL 94 3.333% * 0.3036% (0.15 0.02 0.02) = 0.304% HB2 HIS+ 14 - HN VAL 94 3.333% * 0.2778% (0.13 0.02 0.02) = 0.278% HB3 MET 118 - HN VAL 94 3.333% * 0.2778% (0.13 0.02 0.02) = 0.278% HG2 PRO 112 - HN VAL 94 3.333% * 0.2161% (0.10 0.02 0.02) = 0.216% HB3 LYS+ 110 - HN VAL 94 3.333% * 0.1769% (0.08 0.02 0.10) = 0.177% HG3 PRO 86 - HN VAL 94 3.333% * 0.0637% (0.03 0.02 0.02) = 0.064% Peak 555 (4.38, 8.22, 121.12 ppm): 28 chemical-shift based assignments, quality = 0.463, support = 2.69, residual support = 9.55: * O HA PRO 104 - HN VAL 105 3.571% * 94.3678% (0.49 10.0 2.78 9.44) = 94.368% kept HA THR 95 - HN VAL 94 3.571% * 2.8525% (0.12 1.0 2.52 22.36) = 2.852% kept HA THR 95 - HN VAL 105 3.571% * 0.9388% (0.61 1.0 0.16 0.02) = 0.939% HA ALA 91 - HN VAL 105 3.571% * 0.1934% (1.00 1.0 0.02 0.02) = 0.193% HA SER 88 - HN VAL 105 3.571% * 0.1871% (0.97 1.0 0.02 0.02) = 0.187% HA SER 27 - HN VAL 105 3.571% * 0.1834% (0.95 1.0 0.02 0.02) = 0.183% HA ALA 37 - HN VAL 105 3.571% * 0.1790% (0.92 1.0 0.02 0.02) = 0.179% HA LYS+ 60 - HN VAL 105 3.571% * 0.1619% (0.84 1.0 0.02 0.02) = 0.162% HA TRP 51 - HN VAL 105 3.571% * 0.1552% (0.80 1.0 0.02 0.02) = 0.155% HA ASN 57 - HN VAL 105 3.571% * 0.1254% (0.65 1.0 0.02 0.02) = 0.125% HB THR 61 - HN VAL 105 3.571% * 0.1098% (0.57 1.0 0.02 0.02) = 0.110% HA2 GLY 26 - HN VAL 105 3.571% * 0.0869% (0.45 1.0 0.02 0.02) = 0.087% HA PRO 112 - HN VAL 105 3.571% * 0.0598% (0.31 1.0 0.02 0.02) = 0.060% HA PRO 116 - HN VAL 105 3.571% * 0.0483% (0.25 1.0 0.02 0.02) = 0.048% HA PRO 86 - HN VAL 105 3.571% * 0.0384% (0.20 1.0 0.02 0.02) = 0.038% HA ALA 91 - HN VAL 94 3.571% * 0.0372% (0.19 1.0 0.02 0.02) = 0.037% HA SER 88 - HN VAL 94 3.571% * 0.0360% (0.19 1.0 0.02 0.02) = 0.036% HA SER 27 - HN VAL 94 3.571% * 0.0353% (0.18 1.0 0.02 0.02) = 0.035% HA ALA 37 - HN VAL 94 3.571% * 0.0344% (0.18 1.0 0.02 0.02) = 0.034% HA LYS+ 60 - HN VAL 94 3.571% * 0.0312% (0.16 1.0 0.02 0.02) = 0.031% HA TRP 51 - HN VAL 94 3.571% * 0.0299% (0.15 1.0 0.02 0.02) = 0.030% HA ASN 57 - HN VAL 94 3.571% * 0.0241% (0.12 1.0 0.02 0.02) = 0.024% HB THR 61 - HN VAL 94 3.571% * 0.0211% (0.11 1.0 0.02 0.02) = 0.021% HA PRO 104 - HN VAL 94 3.571% * 0.0182% (0.09 1.0 0.02 0.02) = 0.018% HA2 GLY 26 - HN VAL 94 3.571% * 0.0167% (0.09 1.0 0.02 0.02) = 0.017% HA PRO 112 - HN VAL 94 3.571% * 0.0115% (0.06 1.0 0.02 0.02) = 0.012% HA PRO 116 - HN VAL 94 3.571% * 0.0093% (0.05 1.0 0.02 0.02) = 0.009% HA PRO 86 - HN VAL 94 3.571% * 0.0074% (0.04 1.0 0.02 0.02) = 0.007% Peak 556 (0.89, 8.22, 121.12 ppm): 18 chemical-shift based assignments, quality = 0.698, support = 0.211, residual support = 0.0193: QG1 VAL 47 - HN VAL 105 5.556% * 45.2790% (0.90 0.29 0.02) = 45.279% kept QD1 LEU 67 - HN VAL 105 5.556% * 14.5813% (0.84 0.10 0.02) = 14.581% kept QG1 VAL 80 - HN VAL 94 5.556% * 10.4177% (0.19 0.32 0.02) = 10.418% kept QG2 VAL 40 - HN VAL 94 5.556% * 8.9655% (0.18 0.28 0.02) = 8.966% kept QG1 VAL 80 - HN VAL 105 5.556% * 3.3381% (0.97 0.02 0.02) = 3.338% kept QG2 VAL 40 - HN VAL 105 5.556% * 3.2720% (0.95 0.02 0.02) = 3.272% kept QG2 VAL 87 - HN VAL 105 5.556% * 3.2720% (0.95 0.02 0.02) = 3.272% kept HG3 LYS+ 117 - HN VAL 105 5.556% * 2.6434% (0.76 0.02 0.02) = 2.643% kept QG2 VAL 125 - HN VAL 105 5.556% * 2.3760% (0.69 0.02 0.02) = 2.376% kept QG1 VAL 47 - HN VAL 94 5.556% * 2.2518% (0.17 0.08 0.02) = 2.252% kept QG2 VAL 80 - HN VAL 105 5.556% * 0.6845% (0.20 0.02 0.02) = 0.685% QG2 VAL 87 - HN VAL 94 5.556% * 0.6294% (0.18 0.02 0.02) = 0.629% QD1 LEU 67 - HN VAL 94 5.556% * 0.5558% (0.16 0.02 0.02) = 0.556% QG2 ILE 100 - HN VAL 105 5.556% * 0.5337% (0.15 0.02 0.02) = 0.534% HG3 LYS+ 117 - HN VAL 94 5.556% * 0.5085% (0.15 0.02 0.02) = 0.508% QG2 VAL 125 - HN VAL 94 5.556% * 0.4570% (0.13 0.02 0.02) = 0.457% QG2 VAL 80 - HN VAL 94 5.556% * 0.1317% (0.04 0.02 0.02) = 0.132% QG2 ILE 100 - HN VAL 94 5.556% * 0.1027% (0.03 0.02 0.02) = 0.103% Not enough support, support cutoff is 0.27 Peak unassigned. Peak 557 (8.21, 8.22, 121.12 ppm): 2 diagonal assignments: * HN VAL 105 - HN VAL 105 (0.92) kept HN VAL 94 - HN VAL 94 (0.17) kept Peak 558 (2.16, 8.22, 121.12 ppm): 20 chemical-shift based assignments, quality = 0.609, support = 2.72, residual support = 8.92: O HB3 PRO 104 - HN VAL 105 5.000% * 71.6865% (0.49 10.0 2.77 9.44) = 71.687% kept * HG2 PRO 104 - HN VAL 105 5.000% * 22.7669% (1.00 1.0 3.09 9.44) = 22.767% kept HB VAL 47 - HN VAL 105 5.000% * 4.4204% (0.73 1.0 0.83 0.02) = 4.420% kept HB3 GLU- 75 - HN VAL 94 5.000% * 0.3662% (0.09 1.0 0.53 0.02) = 0.366% HG2 PRO 112 - HN VAL 105 5.000% * 0.1414% (0.96 1.0 0.02 0.02) = 0.141% HG2 GLN 102 - HN VAL 105 5.000% * 0.1069% (0.73 1.0 0.02 0.02) = 0.107% HB2 ASP- 82 - HN VAL 105 5.000% * 0.1012% (0.69 1.0 0.02 0.02) = 0.101% HB3 LYS+ 78 - HN VAL 105 5.000% * 0.0834% (0.57 1.0 0.02 0.02) = 0.083% HB3 GLU- 75 - HN VAL 105 5.000% * 0.0717% (0.49 1.0 0.02 0.02) = 0.072% HB VAL 99 - HN VAL 105 5.000% * 0.0660% (0.45 1.0 0.02 0.02) = 0.066% HG2 PRO 104 - HN VAL 94 5.000% * 0.0283% (0.19 1.0 0.02 0.02) = 0.028% HG2 PRO 112 - HN VAL 94 5.000% * 0.0272% (0.18 1.0 0.02 0.02) = 0.027% HB2 ASP- 28 - HN VAL 105 5.000% * 0.0258% (0.18 1.0 0.02 0.02) = 0.026% HB VAL 47 - HN VAL 94 5.000% * 0.0206% (0.14 1.0 0.02 0.02) = 0.021% HG2 GLN 102 - HN VAL 94 5.000% * 0.0206% (0.14 1.0 0.02 0.02) = 0.021% HB2 ASP- 82 - HN VAL 94 5.000% * 0.0195% (0.13 1.0 0.02 0.02) = 0.019% HB3 LYS+ 78 - HN VAL 94 5.000% * 0.0160% (0.11 1.0 0.02 0.02) = 0.016% HB3 PRO 104 - HN VAL 94 5.000% * 0.0138% (0.09 1.0 0.02 0.02) = 0.014% HB VAL 99 - HN VAL 94 5.000% * 0.0127% (0.09 1.0 0.02 0.02) = 0.013% HB2 ASP- 28 - HN VAL 94 5.000% * 0.0050% (0.03 1.0 0.02 0.02) = 0.005% Peak 560 (4.10, 8.22, 121.12 ppm): 12 chemical-shift based assignments, quality = 0.654, support = 0.878, residual support = 0.527: HA THR 46 - HN VAL 105 8.333% * 51.2510% (0.90 0.87 0.88) = 51.251% kept HA LYS+ 63 - HN VAL 94 8.333% * 15.5276% (0.19 1.26 0.45) = 15.528% kept HB3 SER 49 - HN VAL 105 8.333% * 14.5309% (0.81 0.27 0.02) = 14.531% kept HB3 SER 49 - HN VAL 94 8.333% * 14.0696% (0.16 1.38 0.02) = 14.070% kept HA ALA 70 - HN VAL 105 8.333% * 1.2968% (0.99 0.02 0.02) = 1.297% kept HA LYS+ 63 - HN VAL 105 8.333% * 1.2824% (0.98 0.02 0.02) = 1.282% kept HA THR 24 - HN VAL 105 8.333% * 0.9501% (0.73 0.02 0.02) = 0.950% HA ARG+ 53 - HN VAL 105 8.333% * 0.3638% (0.28 0.02 0.02) = 0.364% HA ALA 70 - HN VAL 94 8.333% * 0.2495% (0.19 0.02 0.02) = 0.249% HA THR 46 - HN VAL 94 8.333% * 0.2257% (0.17 0.02 0.02) = 0.226% HA THR 24 - HN VAL 94 8.333% * 0.1828% (0.14 0.02 0.02) = 0.183% HA ARG+ 53 - HN VAL 94 8.333% * 0.0700% (0.05 0.02 0.02) = 0.070% Peak 561 (4.20, 8.06, 121.15 ppm): 8 chemical-shift based assignments, quality = 0.193, support = 1.86, residual support = 4.86: * O HA GLU- 109 - HN LYS+ 110 12.500% * 93.1510% (0.18 10.0 1.95 5.21) = 93.151% kept HA GLU- 12 - HN LYS+ 110 12.500% * 6.1183% (0.35 1.0 0.68 0.02) = 6.118% kept HA ASP- 82 - HN LYS+ 110 12.500% * 0.2775% (0.54 1.0 0.02 0.02) = 0.277% HB3 SER 49 - HN LYS+ 110 12.500% * 0.1984% (0.38 1.0 0.02 0.02) = 0.198% HA VAL 65 - HN LYS+ 110 12.500% * 0.0864% (0.17 1.0 0.02 0.02) = 0.086% HA VAL 73 - HN LYS+ 110 12.500% * 0.0698% (0.13 1.0 0.02 0.02) = 0.070% HA SER 49 - HN LYS+ 110 12.500% * 0.0554% (0.11 1.0 0.02 0.02) = 0.055% HA ALA 42 - HN LYS+ 110 12.500% * 0.0432% (0.08 1.0 0.02 0.34) = 0.043% Peak 562 (1.95, 8.06, 121.15 ppm): 15 chemical-shift based assignments, quality = 0.399, support = 1.56, residual support = 4.05: HB VAL 13 - HN LYS+ 110 6.667% * 50.3737% (0.43 1.86 4.14) = 50.374% kept * HB3 GLU- 109 - HN LYS+ 110 6.667% * 37.5648% (0.37 1.62 5.21) = 37.565% kept HG3 PRO 31 - HN LYS+ 110 6.667% * 7.5698% (0.54 0.22 0.02) = 7.570% kept HB3 LYS+ 55 - HN LYS+ 110 6.667% * 0.6771% (0.54 0.02 0.02) = 0.677% HB2 GLU- 75 - HN LYS+ 110 6.667% * 0.6405% (0.51 0.02 0.02) = 0.641% HB2 PRO 35 - HN LYS+ 110 6.667% * 0.6073% (0.49 0.02 0.02) = 0.607% HG3 PRO 116 - HN LYS+ 110 6.667% * 0.5656% (0.45 0.02 0.02) = 0.566% HB2 GLU- 10 - HN LYS+ 110 6.667% * 0.4651% (0.37 0.02 0.02) = 0.465% HB2 PRO 116 - HN LYS+ 110 6.667% * 0.4651% (0.37 0.02 0.02) = 0.465% HG2 PRO 112 - HN LYS+ 110 6.667% * 0.2624% (0.21 0.02 0.02) = 0.262% HB ILE 29 - HN LYS+ 110 6.667% * 0.2310% (0.18 0.02 0.02) = 0.231% HB VAL 73 - HN LYS+ 110 6.667% * 0.1883% (0.15 0.02 0.02) = 0.188% HG3 PRO 104 - HN LYS+ 110 6.667% * 0.1508% (0.12 0.02 0.02) = 0.151% HB2 LEU 23 - HN LYS+ 110 6.667% * 0.1340% (0.11 0.02 0.02) = 0.134% HB3 GLU- 56 - HN LYS+ 110 6.667% * 0.1045% (0.08 0.02 0.02) = 0.104% Peak 563 (8.06, 8.06, 121.15 ppm): 1 diagonal assignment: * HN LYS+ 110 - HN LYS+ 110 (0.13) kept Peak 564 (0.82, 8.06, 121.15 ppm): 9 chemical-shift based assignments, quality = 0.391, support = 1.33, residual support = 3.17: QG1 VAL 13 - HN LYS+ 110 11.111% * 51.8051% (0.45 1.57 4.14) = 51.805% kept QG2 VAL 13 - HN LYS+ 110 11.111% * 24.1864% (0.18 1.80 4.14) = 24.186% kept QG1 VAL 94 - HN LYS+ 110 11.111% * 17.6337% (0.54 0.45 0.10) = 17.634% kept QD2 LEU 17 - HN LYS+ 110 11.111% * 3.3911% (0.52 0.09 0.02) = 3.391% kept QD2 LEU 90 - HN LYS+ 110 11.111% * 0.7078% (0.49 0.02 0.02) = 0.708% QD1 ILE 29 - HN LYS+ 110 11.111% * 0.6592% (0.45 0.02 0.02) = 0.659% QD1 ILE 100 - HN LYS+ 110 11.111% * 0.6274% (0.09 0.09 0.02) = 0.627% QD2 LEU 67 - HN LYS+ 110 11.111% * 0.5105% (0.35 0.02 0.02) = 0.511% HG2 LYS+ 117 - HN LYS+ 110 11.111% * 0.4787% (0.33 0.02 0.02) = 0.479% Peak 565 (4.00, 8.06, 121.15 ppm): 4 chemical-shift based assignments, quality = 0.336, support = 1.31, residual support = 2.56: HA VAL 13 - HN LYS+ 110 25.000% * 60.1309% (0.22 1.86 4.14) = 60.131% kept HB THR 95 - HN LYS+ 110 25.000% * 37.4123% (0.51 0.50 0.19) = 37.412% kept HA THR 38 - HN LYS+ 110 25.000% * 1.2570% (0.43 0.02 0.02) = 1.257% kept HA1 GLY 92 - HN LYS+ 110 25.000% * 1.1997% (0.41 0.02 0.02) = 1.200% kept Peak 566 (1.70, 7.96, 121.20 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 568 (4.75, 8.40, 121.12 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 570 (7.31, 7.32, 121.07 ppm): 1 diagonal assignment: * HN ARG+ 84 - HN ARG+ 84 (0.94) kept Peak 571 (7.66, 7.32, 121.07 ppm): 2 chemical-shift based assignments, quality = 0.944, support = 4.73, residual support = 13.8: * T HN TYR 83 - HN ARG+ 84 50.000% * 99.9603% (0.94 10.00 4.73 13.82) = 99.960% kept HD21 ASN 89 - HN ARG+ 84 50.000% * 0.0397% (0.37 1.00 0.02 0.02) = 0.040% Peak 572 (1.77, 7.32, 121.07 ppm): 13 chemical-shift based assignments, quality = 0.835, support = 4.71, residual support = 77.6: O HB2 ARG+ 84 - HN ARG+ 84 7.692% * 78.1692% (0.83 10.0 4.62 78.16) = 78.169% kept HG2 ARG+ 84 - HN ARG+ 84 7.692% * 21.1082% (0.87 1.0 5.20 78.16) = 21.108% kept HB ILE 48 - HN ARG+ 84 7.692% * 0.2592% (0.22 1.0 0.25 0.02) = 0.259% HB3 GLU- 18 - HN ARG+ 84 7.692% * 0.0839% (0.90 1.0 0.02 3.05) = 0.084% HD3 PRO 59 - HN ARG+ 84 7.692% * 0.0749% (0.80 1.0 0.02 0.02) = 0.075% HB2 LEU 17 - HN ARG+ 84 7.692% * 0.0605% (0.65 1.0 0.02 1.76) = 0.061% HG3 ARG+ 53 - HN ARG+ 84 7.692% * 0.0605% (0.65 1.0 0.02 0.02) = 0.061% HG3 LYS+ 63 - HN ARG+ 84 7.692% * 0.0456% (0.49 1.0 0.02 0.02) = 0.046% HG2 PRO 31 - HN ARG+ 84 7.692% * 0.0420% (0.45 1.0 0.02 0.02) = 0.042% HB2 LYS+ 117 - HN ARG+ 84 7.692% * 0.0351% (0.37 1.0 0.02 0.02) = 0.035% HB3 LEU 23 - HN ARG+ 84 7.692% * 0.0319% (0.34 1.0 0.02 0.02) = 0.032% HB3 LYS+ 108 - HN ARG+ 84 7.692% * 0.0144% (0.15 1.0 0.02 0.02) = 0.014% HB3 LYS+ 63 - HN ARG+ 84 7.692% * 0.0144% (0.15 1.0 0.02 0.02) = 0.014% Peak 573 (4.27, 7.32, 121.07 ppm): 19 chemical-shift based assignments, quality = 0.97, support = 4.69, residual support = 69.9: * O HA ARG+ 84 - HN ARG+ 84 5.263% * 88.6752% (0.98 10.0 5.02 78.16) = 88.675% kept HA SER 85 - HN ARG+ 84 5.263% * 10.3759% (0.98 1.0 2.34 5.63) = 10.376% kept HA GLU- 56 - HN ARG+ 84 5.263% * 0.0887% (0.98 1.0 0.02 0.02) = 0.089% HA PRO 52 - HN ARG+ 84 5.263% * 0.0887% (0.98 1.0 0.02 0.02) = 0.089% HA VAL 94 - HN ARG+ 84 5.263% * 0.0873% (0.96 1.0 0.02 0.02) = 0.087% HA GLU- 64 - HN ARG+ 84 5.263% * 0.0811% (0.90 1.0 0.02 0.02) = 0.081% HA GLU- 75 - HN ARG+ 84 5.263% * 0.0785% (0.87 1.0 0.02 0.02) = 0.078% HA VAL 122 - HN ARG+ 84 5.263% * 0.0756% (0.83 1.0 0.02 1.53) = 0.076% HA LEU 90 - HN ARG+ 84 5.263% * 0.0691% (0.76 1.0 0.02 0.02) = 0.069% HB3 CYS 121 - HN ARG+ 84 5.263% * 0.0512% (0.57 1.0 0.02 0.02) = 0.051% HA ASN 119 - HN ARG+ 84 5.263% * 0.0512% (0.57 1.0 0.02 0.02) = 0.051% HA GLU- 107 - HN ARG+ 84 5.263% * 0.0512% (0.57 1.0 0.02 0.02) = 0.051% HA ASN 76 - HN ARG+ 84 5.263% * 0.0476% (0.53 1.0 0.02 0.02) = 0.048% HA ALA 11 - HN ARG+ 84 5.263% * 0.0406% (0.45 1.0 0.02 0.02) = 0.041% HA THR 106 - HN ARG+ 84 5.263% * 0.0406% (0.45 1.0 0.02 0.02) = 0.041% HA CYS 121 - HN ARG+ 84 5.263% * 0.0372% (0.41 1.0 0.02 0.02) = 0.037% HA PRO 59 - HN ARG+ 84 5.263% * 0.0226% (0.25 1.0 0.02 0.02) = 0.023% HA ASP- 36 - HN ARG+ 84 5.263% * 0.0201% (0.22 1.0 0.02 0.02) = 0.020% HB3 SER 49 - HN ARG+ 84 5.263% * 0.0177% (0.20 1.0 0.02 0.02) = 0.018% Peak 574 (1.87, 7.32, 121.07 ppm): 12 chemical-shift based assignments, quality = 0.916, support = 4.4, residual support = 77.6: O HB3 ARG+ 84 - HN ARG+ 84 8.333% * 99.3415% (0.92 10.0 4.43 78.16) = 99.341% kept HD2 PRO 59 - HN ARG+ 84 8.333% * 0.0965% (0.90 1.0 0.02 0.02) = 0.097% HD3 PRO 52 - HN ARG+ 84 8.333% * 0.0965% (0.90 1.0 0.02 0.02) = 0.097% HB VAL 94 - HN ARG+ 84 8.333% * 0.0933% (0.87 1.0 0.02 0.02) = 0.093% HG3 LYS+ 120 - HN ARG+ 84 8.333% * 0.0739% (0.69 1.0 0.02 0.02) = 0.074% HB2 PRO 104 - HN ARG+ 84 8.333% * 0.0696% (0.65 1.0 0.02 0.02) = 0.070% HB3 LYS+ 72 - HN ARG+ 84 8.333% * 0.0653% (0.61 1.0 0.02 0.02) = 0.065% HB3 LYS+ 60 - HN ARG+ 84 8.333% * 0.0609% (0.57 1.0 0.02 0.02) = 0.061% HB3 GLN 16 - HN ARG+ 84 8.333% * 0.0268% (0.25 1.0 0.02 0.02) = 0.027% HG2 GLU- 18 - HN ARG+ 84 8.333% * 0.0268% (0.25 1.0 0.02 3.05) = 0.027% HB2 LYS+ 66 - HN ARG+ 84 8.333% * 0.0268% (0.25 1.0 0.02 0.02) = 0.027% HG2 PRO 112 - HN ARG+ 84 8.333% * 0.0219% (0.20 1.0 0.02 0.02) = 0.022% Peak 575 (1.66, 7.32, 121.07 ppm): 10 chemical-shift based assignments, quality = 0.946, support = 4.52, residual support = 71.3: * HG3 ARG+ 84 - HN ARG+ 84 10.000% * 90.5146% (1.00 4.93 78.16) = 90.515% kept HB3 LYS+ 81 - HN ARG+ 84 10.000% * 7.8068% (0.57 0.75 6.94) = 7.807% kept HB3 LYS+ 66 - HN ARG+ 84 10.000% * 0.3394% (0.92 0.02 0.02) = 0.339% HB ILE 100 - HN ARG+ 84 10.000% * 0.3298% (0.90 0.02 0.02) = 0.330% HB3 MET 97 - HN ARG+ 84 10.000% * 0.2944% (0.80 0.02 0.02) = 0.294% HB3 MET 126 - HN ARG+ 84 10.000% * 0.2670% (0.73 0.02 0.02) = 0.267% HG2 ARG+ 22 - HN ARG+ 84 10.000% * 0.2526% (0.69 0.02 0.02) = 0.253% HD3 LYS+ 55 - HN ARG+ 84 10.000% * 0.0819% (0.22 0.02 0.02) = 0.082% HG LEU 23 - HN ARG+ 84 10.000% * 0.0567% (0.15 0.02 0.02) = 0.057% HG13 ILE 19 - HN ARG+ 84 10.000% * 0.0567% (0.15 0.02 0.02) = 0.057% Peak 576 (4.65, 7.32, 121.07 ppm): 4 chemical-shift based assignments, quality = 0.339, support = 2.88, residual support = 13.8: * O HA TYR 83 - HN ARG+ 84 25.000% * 99.5306% (0.34 10.0 2.90 13.82) = 99.531% kept HA LYS+ 120 - HN ARG+ 84 25.000% * 0.2531% (0.87 1.0 0.02 0.02) = 0.253% HA PRO 35 - HN ARG+ 84 25.000% * 0.1652% (0.57 1.0 0.02 0.02) = 0.165% HA ASN 89 - HN ARG+ 84 25.000% * 0.0511% (0.17 1.0 0.02 0.02) = 0.051% Peak 577 (3.68, 7.32, 121.07 ppm): 3 chemical-shift based assignments, quality = 0.32, support = 1.19, residual support = 4.78: * HA LYS+ 81 - HN ARG+ 84 33.333% * 54.9451% (0.34 1.48 6.94) = 54.945% kept HB2 TRP 51 - HN ARG+ 84 33.333% * 24.8748% (0.41 0.56 1.04) = 24.875% kept HB3 SER 69 - HN ARG+ 84 33.333% * 20.1801% (0.15 1.20 3.49) = 20.180% kept Peak 578 (8.41, 8.42, 120.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 582 (8.62, 8.63, 120.72 ppm): 1 diagonal assignment: * HN SER 85 - HN SER 85 (0.92) kept Peak 583 (4.27, 8.63, 120.72 ppm): 19 chemical-shift based assignments, quality = 0.994, support = 2.93, residual support = 6.31: * O HA ARG+ 84 - HN SER 85 5.263% * 49.7421% (1.00 10.0 3.34 5.63) = 49.742% kept O HA SER 85 - HN SER 85 5.263% * 49.7421% (1.00 10.0 2.56 7.04) = 49.742% kept HA PRO 52 - HN SER 85 5.263% * 0.0497% (1.00 1.0 0.02 0.02) = 0.050% HA VAL 94 - HN SER 85 5.263% * 0.0496% (1.00 1.0 0.02 0.02) = 0.050% HA GLU- 56 - HN SER 85 5.263% * 0.0459% (0.92 1.0 0.02 0.02) = 0.046% HA VAL 122 - HN SER 85 5.263% * 0.0459% (0.92 1.0 0.02 0.02) = 0.046% HA LEU 90 - HN SER 85 5.263% * 0.0431% (0.87 1.0 0.02 0.02) = 0.043% HA GLU- 64 - HN SER 85 5.263% * 0.0398% (0.80 1.0 0.02 0.02) = 0.040% HA GLU- 75 - HN SER 85 5.263% * 0.0380% (0.76 1.0 0.02 0.02) = 0.038% HB3 CYS 121 - HN SER 85 5.263% * 0.0342% (0.69 1.0 0.02 0.02) = 0.034% HA THR 106 - HN SER 85 5.263% * 0.0282% (0.57 1.0 0.02 0.02) = 0.028% HA CYS 121 - HN SER 85 5.263% * 0.0262% (0.53 1.0 0.02 0.02) = 0.026% HA GLU- 107 - HN SER 85 5.263% * 0.0223% (0.45 1.0 0.02 0.02) = 0.022% HA ASN 119 - HN SER 85 5.263% * 0.0223% (0.45 1.0 0.02 0.02) = 0.022% HA ASN 76 - HN SER 85 5.263% * 0.0204% (0.41 1.0 0.02 0.02) = 0.020% HA ALA 11 - HN SER 85 5.263% * 0.0170% (0.34 1.0 0.02 0.02) = 0.017% HA ASP- 36 - HN SER 85 5.263% * 0.0154% (0.31 1.0 0.02 0.02) = 0.015% HB3 SER 49 - HN SER 85 5.263% * 0.0090% (0.18 1.0 0.02 0.02) = 0.009% HA PRO 59 - HN SER 85 5.263% * 0.0087% (0.17 1.0 0.02 0.02) = 0.009% Peak 584 (3.85, 8.63, 120.72 ppm): 10 chemical-shift based assignments, quality = 0.759, support = 2.68, residual support = 7.0: * O HB2 SER 85 - HN SER 85 10.000% * 99.4004% (0.76 10.0 2.70 7.04) = 99.400% kept HA LYS+ 117 - HN SER 85 10.000% * 0.1086% (0.83 1.0 0.02 0.02) = 0.109% HB3 SER 88 - HN SER 85 10.000% * 0.1041% (0.80 1.0 0.02 0.02) = 0.104% HA2 GLY 114 - HN SER 85 10.000% * 0.0944% (0.73 1.0 0.02 0.02) = 0.094% HB3 SER 77 - HN SER 85 10.000% * 0.0944% (0.73 1.0 0.02 0.02) = 0.094% HB3 SER 27 - HN SER 85 10.000% * 0.0633% (0.49 1.0 0.02 0.02) = 0.063% HA GLU- 45 - HN SER 85 10.000% * 0.0583% (0.45 1.0 0.02 0.02) = 0.058% HA2 GLY 92 - HN SER 85 10.000% * 0.0362% (0.28 1.0 0.02 0.02) = 0.036% HD3 PRO 35 - HN SER 85 10.000% * 0.0201% (0.15 1.0 0.02 0.02) = 0.020% HD3 PRO 116 - HN SER 85 10.000% * 0.0201% (0.15 1.0 0.02 0.02) = 0.020% Peak 585 (4.84, 8.63, 120.72 ppm): 4 chemical-shift based assignments, quality = 0.416, support = 2.25, residual support = 1.85: HA GLU- 18 - HN SER 85 25.000% * 39.7602% (0.37 2.89 2.22) = 39.760% kept HB THR 39 - HN SER 85 25.000% * 37.6142% (0.41 2.50 2.34) = 37.614% kept HA THR 96 - HN SER 85 25.000% * 16.4779% (0.57 0.79 0.51) = 16.478% kept HA ASP- 115 - HN SER 85 25.000% * 6.1476% (0.31 0.54 0.02) = 6.148% kept Peak 586 (4.04, 8.63, 120.72 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 2.69, residual support = 7.03: * O HB3 SER 85 - HN SER 85 16.667% * 99.7840% (1.00 10.0 2.70 7.04) = 99.784% kept HB THR 38 - HN SER 85 16.667% * 0.0685% (0.69 1.0 0.02 0.02) = 0.069% HA VAL 125 - HN SER 85 16.667% * 0.0525% (0.53 1.0 0.02 0.02) = 0.052% HB2 SER 49 - HN SER 85 16.667% * 0.0447% (0.45 1.0 0.02 0.02) = 0.045% HB3 SER 49 - HN SER 85 16.667% * 0.0304% (0.30 1.0 0.02 0.02) = 0.030% HA VAL 13 - HN SER 85 16.667% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% Peak 587 (1.75, 8.63, 120.72 ppm): 9 chemical-shift based assignments, quality = 0.477, support = 2.3, residual support = 3.73: HG2 ARG+ 84 - HN SER 85 11.111% * 31.9291% (0.31 3.59 5.63) = 31.929% kept HB2 ARG+ 84 - HN SER 85 11.111% * 26.6068% (0.28 3.33 5.63) = 26.607% kept HB2 LEU 17 - HN SER 85 11.111% * 16.7163% (1.00 0.58 0.02) = 16.716% kept HB ILE 48 - HN SER 85 11.111% * 14.1378% (0.76 0.64 1.67) = 14.138% kept HB3 GLU- 18 - HN SER 85 11.111% * 8.9294% (0.34 0.91 2.22) = 8.929% kept HD3 PRO 59 - HN SER 85 11.111% * 0.5444% (0.94 0.02 0.02) = 0.544% HB2 LYS+ 117 - HN SER 85 11.111% * 0.5313% (0.92 0.02 0.02) = 0.531% HB3 LEU 23 - HN SER 85 11.111% * 0.5161% (0.90 0.02 0.02) = 0.516% HG3 ARG+ 53 - HN SER 85 11.111% * 0.0888% (0.15 0.02 0.02) = 0.089% Peak 588 (1.89, 8.63, 120.72 ppm): 12 chemical-shift based assignments, quality = 0.709, support = 2.0, residual support = 3.62: HB3 ARG+ 84 - HN SER 85 8.333% * 53.8573% (0.53 3.15 5.63) = 53.857% kept HG2 GLU- 18 - HN SER 85 8.333% * 25.4507% (0.99 0.79 2.22) = 25.451% kept HB3 GLN 16 - HN SER 85 8.333% * 17.6129% (0.99 0.55 0.15) = 17.613% kept HB3 CYS 123 - HN SER 85 8.333% * 0.5634% (0.87 0.02 0.02) = 0.563% HG3 LYS+ 120 - HN SER 85 8.333% * 0.5201% (0.80 0.02 0.02) = 0.520% HB3 ARG+ 53 - HN SER 85 8.333% * 0.4716% (0.73 0.02 0.02) = 0.472% HB2 PRO 112 - HN SER 85 8.333% * 0.4352% (0.67 0.02 0.02) = 0.435% HD3 PRO 52 - HN SER 85 8.333% * 0.3677% (0.57 0.02 0.02) = 0.368% HB3 GLN 102 - HN SER 85 8.333% * 0.2912% (0.45 0.02 0.02) = 0.291% HD3 LYS+ 63 - HN SER 85 8.333% * 0.1806% (0.28 0.02 0.02) = 0.181% HG2 PRO 112 - HN SER 85 8.333% * 0.1615% (0.25 0.02 0.02) = 0.161% HD2 PRO 59 - HN SER 85 8.333% * 0.0879% (0.14 0.02 0.02) = 0.088% Peak 589 (4.70, 8.63, 120.72 ppm): 8 chemical-shift based assignments, quality = 0.745, support = 0.538, residual support = 0.92: HA GLN 16 - HN SER 85 12.500% * 40.1658% (1.00 0.41 0.15) = 40.166% kept HA THR 39 - HN SER 85 12.500% * 35.8572% (0.76 0.48 2.34) = 35.857% kept HA TYR 83 - HN SER 85 12.500% * 17.5629% (0.15 1.15 0.11) = 17.563% kept HA VAL 99 - HN SER 85 12.500% * 1.9358% (0.98 0.02 0.02) = 1.936% kept HA THR 61 - HN SER 85 12.500% * 1.7711% (0.90 0.02 0.02) = 1.771% kept HA2 GLY 30 - HN SER 85 12.500% * 1.3565% (0.69 0.02 0.02) = 1.357% kept HA LYS+ 20 - HN SER 85 12.500% * 0.7412% (0.37 0.02 0.02) = 0.741% HA ASN 89 - HN SER 85 12.500% * 0.6095% (0.31 0.02 0.02) = 0.610% Peak 590 (1.58, 7.98, 120.59 ppm): 11 chemical-shift based assignments, quality = 0.292, support = 4.5, residual support = 17.3: * QB ALA 42 - HN LEU 43 9.091% * 79.7481% (0.25 5.59 21.64) = 79.748% kept HD3 LYS+ 60 - HN LEU 43 9.091% * 8.0436% (0.56 0.25 0.02) = 8.044% kept HD3 LYS+ 81 - HN LEU 43 9.091% * 7.8873% (0.48 0.28 0.02) = 7.887% kept HB3 LYS+ 32 - HN LEU 43 9.091% * 1.0821% (0.94 0.02 0.02) = 1.082% kept HB ILE 19 - HN LEU 43 9.091% * 0.7857% (0.68 0.02 0.02) = 0.786% HG LEU 17 - HN LEU 43 9.091% * 0.7400% (0.64 0.02 0.02) = 0.740% HD3 LYS+ 32 - HN LEU 43 9.091% * 0.5568% (0.48 0.02 0.02) = 0.557% HB3 PRO 52 - HN LEU 43 9.091% * 0.3902% (0.34 0.02 0.02) = 0.390% HG12 ILE 29 - HN LEU 43 9.091% * 0.2852% (0.25 0.02 0.02) = 0.285% HG2 LYS+ 110 - HN LEU 43 9.091% * 0.2547% (0.22 0.02 0.11) = 0.255% HB3 LEU 90 - HN LEU 43 9.091% * 0.2264% (0.20 0.02 0.02) = 0.226% Peak 591 (-0.12, 7.97, 120.59 ppm): 1 chemical-shift based assignment, quality = 0.606, support = 7.86, residual support = 180.0: * QD1 LEU 43 - HN LEU 43 100.000% *100.0000% (0.61 7.86 179.96) = 100.000% kept Peak 592 (2.09, 7.97, 120.59 ppm): 15 chemical-shift based assignments, quality = 0.539, support = 6.1, residual support = 156.4: * O HB3 LEU 43 - HN LEU 43 6.667% * 86.9285% (0.50 10.0 6.86 179.96) = 86.929% kept HB3 GLU- 75 - HN LEU 43 6.667% * 9.8697% (0.88 1.0 1.29 0.02) = 9.870% kept HB VAL 125 - HN LEU 43 6.667% * 2.1237% (0.85 1.0 0.29 0.14) = 2.124% kept HB2 MET 118 - HN LEU 43 6.667% * 0.1535% (0.88 1.0 0.02 0.02) = 0.154% HB VAL 65 - HN LEU 43 6.667% * 0.1452% (0.83 1.0 0.02 0.02) = 0.145% HB2 LYS+ 110 - HN LEU 43 6.667% * 0.1417% (0.81 1.0 0.02 0.11) = 0.142% HD3 LYS+ 110 - HN LEU 43 6.667% * 0.1332% (0.77 1.0 0.02 0.11) = 0.133% HG2 PRO 112 - HN LEU 43 6.667% * 0.1253% (0.72 1.0 0.02 0.02) = 0.125% HG2 GLN 16 - HN LEU 43 6.667% * 0.0993% (0.57 1.0 0.02 0.13) = 0.099% HB3 LYS+ 120 - HN LEU 43 6.667% * 0.0747% (0.43 1.0 0.02 0.02) = 0.075% HB VAL 87 - HN LEU 43 6.667% * 0.0524% (0.30 1.0 0.02 0.02) = 0.052% HB2 GLU- 56 - HN LEU 43 6.667% * 0.0474% (0.27 1.0 0.02 0.02) = 0.047% HB ILE 101 - HN LEU 43 6.667% * 0.0474% (0.27 1.0 0.02 0.02) = 0.047% HB VAL 62 - HN LEU 43 6.667% * 0.0342% (0.20 1.0 0.02 3.21) = 0.034% HB VAL 105 - HN LEU 43 6.667% * 0.0237% (0.14 1.0 0.02 0.02) = 0.024% Peak 593 (1.43, 7.97, 120.59 ppm): 15 chemical-shift based assignments, quality = 0.67, support = 3.7, residual support = 16.7: HD3 LYS+ 44 - HN LEU 43 6.667% * 58.3792% (0.64 5.35 27.85) = 58.379% kept * QG2 THR 38 - HN LEU 43 6.667% * 26.7655% (0.79 1.99 1.46) = 26.765% kept HG3 ARG+ 22 - HN LEU 43 6.667% * 5.7808% (0.87 0.39 0.02) = 5.781% kept QB ALA 91 - HN LEU 43 6.667% * 3.8512% (0.74 0.31 0.02) = 3.851% kept HG13 ILE 48 - HN LEU 43 6.667% * 1.9379% (0.20 0.58 1.60) = 1.938% kept HG LEU 67 - HN LEU 43 6.667% * 1.0276% (0.15 0.39 3.85) = 1.028% kept QB ALA 37 - HN LEU 43 6.667% * 0.7708% (0.27 0.17 0.02) = 0.771% HG3 LYS+ 113 - HN LEU 43 6.667% * 0.2998% (0.88 0.02 0.02) = 0.300% HG3 LYS+ 55 - HN LEU 43 6.667% * 0.2946% (0.87 0.02 0.02) = 0.295% HD3 LYS+ 113 - HN LEU 43 6.667% * 0.2900% (0.85 0.02 0.02) = 0.290% HG LEU 90 - HN LEU 43 6.667% * 0.2843% (0.83 0.02 0.02) = 0.284% HG3 LYS+ 60 - HN LEU 43 6.667% * 0.1128% (0.33 0.02 0.02) = 0.113% HG2 PRO 59 - HN LEU 43 6.667% * 0.1128% (0.33 0.02 0.02) = 0.113% QB ALA 93 - HN LEU 43 6.667% * 0.0464% (0.14 0.02 0.02) = 0.046% HG13 ILE 100 - HN LEU 43 6.667% * 0.0464% (0.14 0.02 0.02) = 0.046% Peak 594 (3.70, 7.97, 120.59 ppm): 3 chemical-shift based assignments, quality = 0.786, support = 0.962, residual support = 1.39: HB3 SER 69 - HN LEU 43 33.333% * 82.5806% (0.77 1.13 1.67) = 82.581% kept HA LYS+ 81 - HN LEU 43 33.333% * 15.7358% (0.88 0.19 0.02) = 15.736% kept HB2 TRP 51 - HN LEU 43 33.333% * 1.6836% (0.88 0.02 0.18) = 1.684% kept Reference assignment not found: HA LEU 43 - HN LEU 43 Peak 595 (3.43, 7.97, 120.59 ppm): 5 chemical-shift based assignments, quality = 0.618, support = 2.42, residual support = 3.33: HA VAL 62 - HN LEU 43 20.000% * 31.9548% (0.79 2.31 3.21) = 31.955% kept * HA VAL 40 - HN LEU 43 20.000% * 24.0310% (0.40 3.48 4.76) = 24.031% kept HA ILE 48 - HN LEU 43 20.000% * 23.3258% (0.87 1.53 1.60) = 23.326% kept HA VAL 80 - HN LEU 43 20.000% * 16.3219% (0.36 2.57 4.17) = 16.322% kept HD3 PRO 31 - HN LEU 43 20.000% * 4.3664% (0.15 1.62 2.32) = 4.366% kept Peak 596 (0.47, 7.97, 120.59 ppm): 2 chemical-shift based assignments, quality = 0.783, support = 6.23, residual support = 167.2: * QD2 LEU 43 - HN LEU 43 50.000% * 92.8659% (0.79 6.67 179.96) = 92.866% kept QD2 LEU 74 - HN LEU 43 50.000% * 7.1341% (0.67 0.60 1.31) = 7.134% kept Peak 597 (7.74, 7.97, 120.59 ppm): 4 chemical-shift based assignments, quality = 0.665, support = 4.79, residual support = 21.3: * T HN ALA 42 - HN LEU 43 25.000% * 98.6300% (0.67 10.00 4.86 21.64) = 98.630% kept HN ALA 37 - HN LEU 43 25.000% * 0.6604% (0.54 1.00 0.17 0.02) = 0.660% HN VAL 125 - HN LEU 43 25.000% * 0.3784% (0.57 1.00 0.09 0.14) = 0.378% HN SER 124 - HN LEU 43 25.000% * 0.3311% (0.50 1.00 0.09 0.02) = 0.331% Peak 602 (8.29, 8.31, 120.57 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 607 (7.77, 7.77, 120.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 608 (1.98, 7.77, 120.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 609 (1.90, 8.25, 120.21 ppm): 24 chemical-shift based assignments, quality = 0.646, support = 0.352, residual support = 0.115: HB2 PRO 112 - HN GLU- 12 4.167% * 37.3532% (0.96 0.50 0.22) = 37.353% kept HB3 GLN 16 - HN GLU- 12 4.167% * 16.2940% (0.70 0.30 0.02) = 16.294% kept HG2 PRO 112 - HN GLU- 12 4.167% * 10.2711% (0.27 0.49 0.22) = 10.271% kept HB2 PRO 112 - HN ASN 89 4.167% * 7.1935% (0.27 0.34 0.02) = 7.193% kept HG2 GLU- 18 - HN GLU- 12 4.167% * 5.7605% (0.70 0.11 0.02) = 5.760% kept HB2 LEU 23 - HN GLU- 12 4.167% * 4.0585% (0.51 0.10 0.02) = 4.058% kept HB3 GLN 16 - HN ASN 89 4.167% * 4.0201% (0.20 0.26 0.02) = 4.020% kept HD3 PRO 52 - HN GLU- 12 4.167% * 3.4236% (0.13 0.34 0.02) = 3.424% kept HB2 LEU 23 - HN ASN 89 4.167% * 2.8930% (0.14 0.26 0.02) = 2.893% kept HB3 ARG+ 53 - HN GLU- 12 4.167% * 1.4908% (0.96 0.02 0.02) = 1.491% kept HB3 GLN 102 - HN GLU- 12 4.167% * 1.4229% (0.92 0.02 0.02) = 1.423% kept HB3 CYS 123 - HN GLU- 12 4.167% * 1.3885% (0.89 0.02 0.02) = 1.388% kept HD3 LYS+ 63 - HN GLU- 12 4.167% * 1.2044% (0.78 0.02 0.02) = 1.204% kept HB ILE 29 - HN GLU- 12 4.167% * 0.5131% (0.33 0.02 0.02) = 0.513% HB3 ARG+ 53 - HN ASN 89 4.167% * 0.4196% (0.27 0.02 0.02) = 0.420% HG3 LYS+ 120 - HN GLU- 12 4.167% * 0.4182% (0.27 0.02 0.02) = 0.418% HB3 GLN 102 - HN ASN 89 4.167% * 0.4005% (0.26 0.02 0.02) = 0.400% HB3 CYS 123 - HN ASN 89 4.167% * 0.3908% (0.25 0.02 0.02) = 0.391% HD3 LYS+ 63 - HN ASN 89 4.167% * 0.3390% (0.22 0.02 0.02) = 0.339% HG2 GLU- 18 - HN ASN 89 4.167% * 0.3074% (0.20 0.02 0.02) = 0.307% HB ILE 29 - HN ASN 89 4.167% * 0.1444% (0.09 0.02 0.02) = 0.144% HG2 PRO 112 - HN ASN 89 4.167% * 0.1181% (0.08 0.02 0.02) = 0.118% HG3 LYS+ 120 - HN ASN 89 4.167% * 0.1177% (0.08 0.02 0.02) = 0.118% HD3 PRO 52 - HN ASN 89 4.167% * 0.0573% (0.04 0.02 0.02) = 0.057% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 610 (4.22, 8.24, 120.21 ppm): 20 chemical-shift based assignments, quality = 0.946, support = 1.05, residual support = 0.853: * O HA GLU- 12 - HN GLU- 12 5.000% * 89.5557% (1.00 10.0 1.10 0.95) = 89.556% kept HB3 SER 49 - HN GLU- 12 5.000% * 3.4917% (0.58 1.0 0.73 0.02) = 3.492% kept HA ASP- 82 - HN GLU- 12 5.000% * 3.2835% (0.72 1.0 0.55 0.10) = 3.284% kept HA GLU- 10 - HN GLU- 12 5.000% * 2.6301% (0.41 1.0 0.78 0.02) = 2.630% kept HA SER 49 - HN GLU- 12 5.000% * 0.4855% (0.68 1.0 0.09 0.02) = 0.486% HA GLU- 109 - HN GLU- 12 5.000% * 0.1414% (0.86 1.0 0.02 0.02) = 0.141% HA ALA 42 - HN GLU- 12 5.000% * 0.0989% (0.60 1.0 0.02 0.02) = 0.099% HA LYS+ 108 - HN GLU- 12 5.000% * 0.0670% (0.41 1.0 0.02 0.02) = 0.067% HA GLU- 54 - HN GLU- 12 5.000% * 0.0670% (0.41 1.0 0.02 0.02) = 0.067% HA PRO 59 - HN GLU- 12 5.000% * 0.0323% (0.20 1.0 0.02 0.02) = 0.032% HA GLU- 12 - HN ASN 89 5.000% * 0.0249% (0.15 1.0 0.02 0.02) = 0.025% HA GLU- 109 - HN ASN 89 5.000% * 0.0216% (0.13 1.0 0.02 0.02) = 0.022% HA ASP- 82 - HN ASN 89 5.000% * 0.0181% (0.11 1.0 0.02 0.02) = 0.018% HA SER 49 - HN ASN 89 5.000% * 0.0171% (0.10 1.0 0.02 0.02) = 0.017% HA ALA 42 - HN ASN 89 5.000% * 0.0151% (0.09 1.0 0.02 0.02) = 0.015% HB3 SER 49 - HN ASN 89 5.000% * 0.0145% (0.09 1.0 0.02 0.02) = 0.015% HA GLU- 10 - HN ASN 89 5.000% * 0.0102% (0.06 1.0 0.02 0.02) = 0.010% HA LYS+ 108 - HN ASN 89 5.000% * 0.0102% (0.06 1.0 0.02 0.02) = 0.010% HA GLU- 54 - HN ASN 89 5.000% * 0.0102% (0.06 1.0 0.02 0.02) = 0.010% HA PRO 59 - HN ASN 89 5.000% * 0.0049% (0.03 1.0 0.02 0.02) = 0.005% Peak 611 (8.24, 8.25, 120.21 ppm): 1 diagonal assignment: * HN GLU- 12 - HN GLU- 12 (0.96) kept Peak 612 (1.34, 8.24, 120.21 ppm): 12 chemical-shift based assignments, quality = 0.382, support = 0.855, residual support = 0.73: * QB ALA 11 - HN GLU- 12 8.333% * 25.9112% (0.17 1.76 2.35) = 25.911% kept QG2 THR 46 - HN GLU- 12 8.333% * 22.7357% (0.34 0.79 0.27) = 22.736% kept HG3 LYS+ 81 - HN GLU- 12 8.333% * 22.3477% (0.45 0.59 0.24) = 22.348% kept HB2 ARG+ 22 - HN GLU- 12 8.333% * 20.6154% (0.68 0.36 0.02) = 20.615% kept HB3 LEU 17 - HN GLU- 12 8.333% * 5.4036% (0.34 0.19 0.02) = 5.404% kept HG3 LYS+ 81 - HN ASN 89 8.333% * 1.6560% (0.07 0.29 0.02) = 1.656% kept HB2 ARG+ 22 - HN ASN 89 8.333% * 0.7255% (0.10 0.08 0.02) = 0.725% HB3 LYS+ 20 - HN GLU- 12 8.333% * 0.3336% (0.20 0.02 0.02) = 0.334% QG2 THR 46 - HN ASN 89 8.333% * 0.0877% (0.05 0.02 0.02) = 0.088% HB3 LEU 17 - HN ASN 89 8.333% * 0.0877% (0.05 0.02 0.02) = 0.088% HB3 LYS+ 20 - HN ASN 89 8.333% * 0.0509% (0.03 0.02 0.02) = 0.051% QB ALA 11 - HN ASN 89 8.333% * 0.0450% (0.03 0.02 0.02) = 0.045% Peak 613 (2.20, 8.25, 120.21 ppm): 30 chemical-shift based assignments, quality = 0.651, support = 0.395, residual support = 0.132: HG2 PRO 112 - HN GLU- 12 3.333% * 49.9720% (0.96 0.49 0.22) = 49.972% kept HB2 ASP- 82 - HN GLU- 12 3.333% * 16.1590% (0.24 0.63 0.10) = 16.159% kept HG3 GLU- 18 - HN GLU- 12 3.333% * 14.0964% (0.43 0.31 0.02) = 14.096% kept HB2 GLU- 50 - HN GLU- 12 3.333% * 4.0943% (0.51 0.08 0.02) = 4.094% kept HG2 MET 126 - HN GLU- 12 3.333% * 1.8929% (0.89 0.02 0.02) = 1.893% kept HG3 MET 126 - HN GLU- 12 3.333% * 1.5671% (0.74 0.02 0.02) = 1.567% kept HB3 GLU- 75 - HN GLU- 12 3.333% * 1.4116% (0.17 0.08 0.02) = 1.412% kept HG3 MET 97 - HN GLU- 12 3.333% * 1.3265% (0.63 0.02 0.02) = 1.327% kept HA1 GLY 58 - HN GLU- 12 3.333% * 1.3265% (0.63 0.02 0.02) = 1.327% kept HB VAL 99 - HN GLU- 12 3.333% * 0.9193% (0.43 0.02 0.02) = 0.919% HB3 PRO 104 - HN GLU- 12 3.333% * 0.8430% (0.40 0.02 0.02) = 0.843% HG3 GLN 102 - HN GLU- 12 3.333% * 0.6995% (0.33 0.02 0.02) = 0.699% HG2 PRO 112 - HN ASN 89 3.333% * 0.5745% (0.27 0.02 0.02) = 0.575% HG2 MET 126 - HN ASN 89 3.333% * 0.5328% (0.25 0.02 0.02) = 0.533% HG3 GLU- 109 - HN GLU- 12 3.333% * 0.5113% (0.24 0.02 0.02) = 0.511% HB2 PRO 52 - HN GLU- 12 3.333% * 0.5113% (0.24 0.02 0.02) = 0.511% HG2 GLN 102 - HN GLU- 12 3.333% * 0.4565% (0.22 0.02 0.02) = 0.457% HG3 MET 126 - HN ASN 89 3.333% * 0.4411% (0.21 0.02 0.02) = 0.441% HA1 GLY 58 - HN ASN 89 3.333% * 0.3733% (0.18 0.02 0.02) = 0.373% HG3 MET 97 - HN ASN 89 3.333% * 0.3733% (0.18 0.02 0.02) = 0.373% HB2 GLU- 50 - HN ASN 89 3.333% * 0.3036% (0.14 0.02 0.02) = 0.304% HG3 GLU- 18 - HN ASN 89 3.333% * 0.2587% (0.12 0.02 0.02) = 0.259% HB VAL 99 - HN ASN 89 3.333% * 0.2587% (0.12 0.02 0.02) = 0.259% HB3 PRO 104 - HN ASN 89 3.333% * 0.2373% (0.11 0.02 0.02) = 0.237% HG3 GLN 102 - HN ASN 89 3.333% * 0.1969% (0.09 0.02 0.02) = 0.197% HB2 PRO 52 - HN ASN 89 3.333% * 0.1439% (0.07 0.02 0.02) = 0.144% HB2 ASP- 82 - HN ASN 89 3.333% * 0.1439% (0.07 0.02 0.02) = 0.144% HG3 GLU- 109 - HN ASN 89 3.333% * 0.1439% (0.07 0.02 0.02) = 0.144% HG2 GLN 102 - HN ASN 89 3.333% * 0.1285% (0.06 0.02 0.02) = 0.128% HB3 GLU- 75 - HN ASN 89 3.333% * 0.1022% (0.05 0.02 0.02) = 0.102% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 614 (7.71, 8.24, 120.21 ppm): 4 chemical-shift based assignments, quality = 0.98, support = 0.738, residual support = 1.33: HN VAL 13 - HN GLU- 12 25.000% * 98.4637% (1.00 0.75 1.35) = 98.464% kept HN ALA 42 - HN GLU- 12 25.000% * 0.9855% (0.37 0.02 0.02) = 0.985% HN VAL 13 - HN ASN 89 25.000% * 0.4005% (0.15 0.02 0.10) = 0.401% HN ALA 42 - HN ASN 89 25.000% * 0.1503% (0.06 0.02 0.02) = 0.150% Peak 619 (7.97, 7.96, 120.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 620 (0.89, 7.96, 120.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 621 (7.75, 7.96, 120.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 622 (1.14, 7.96, 120.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 623 (0.70, 7.96, 120.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 625 (8.06, 8.26, 120.16 ppm): 10 chemical-shift based assignments, quality = 0.518, support = 1.12, residual support = 0.638: HN ASN 15 - HN GLU- 12 10.000% * 32.7760% (0.57 1.57 1.19) = 32.776% kept HN MET 118 - HN GLU- 12 10.000% * 28.6131% (0.59 1.33 0.65) = 28.613% kept HN ASN 15 - HN ASN 89 10.000% * 12.7836% (0.69 0.50 0.44) = 12.784% kept HN LYS+ 110 - HN GLU- 12 10.000% * 8.9193% (0.26 0.92 0.02) = 8.919% kept HN GLU- 75 - HN ASN 89 10.000% * 8.0909% (0.38 0.58 0.02) = 8.091% kept HN GLU- 75 - HN GLU- 12 10.000% * 5.8016% (0.31 0.51 0.02) = 5.802% kept HN CYS 121 - HN GLU- 12 10.000% * 2.0194% (0.26 0.21 0.02) = 2.019% kept HN MET 118 - HN ASN 89 10.000% * 0.5246% (0.71 0.02 0.02) = 0.525% HN CYS 121 - HN ASN 89 10.000% * 0.2357% (0.32 0.02 0.02) = 0.236% HN LYS+ 110 - HN ASN 89 10.000% * 0.2357% (0.32 0.02 0.02) = 0.236% Peak 626 (0.95, 8.74, 120.07 ppm): 10 chemical-shift based assignments, quality = 0.736, support = 3.66, residual support = 24.1: * QG2 VAL 62 - HN VAL 62 10.000% * 73.8146% (0.77 4.64 32.46) = 73.815% kept QG2 VAL 99 - HN VAL 62 10.000% * 13.4678% (0.57 1.16 1.04) = 13.468% kept QG2 ILE 29 - HN VAL 62 10.000% * 11.3778% (0.77 0.72 0.02) = 11.378% kept QG2 VAL 73 - HN VAL 62 10.000% * 0.3201% (0.78 0.02 0.02) = 0.320% QG1 VAL 105 - HN VAL 62 10.000% * 0.2451% (0.60 0.02 0.02) = 0.245% QD1 LEU 17 - HN VAL 62 10.000% * 0.2329% (0.57 0.02 0.02) = 0.233% QG2 VAL 105 - HN VAL 62 10.000% * 0.2203% (0.54 0.02 0.02) = 0.220% HG12 ILE 68 - HN VAL 62 10.000% * 0.1319% (0.32 0.02 0.02) = 0.132% HG3 LYS+ 110 - HN VAL 62 10.000% * 0.1094% (0.27 0.02 0.02) = 0.109% QG2 VAL 80 - HN VAL 62 10.000% * 0.0800% (0.19 0.02 0.90) = 0.080% Peak 627 (8.74, 8.74, 120.07 ppm): 1 diagonal assignment: * HN VAL 62 - HN VAL 62 (0.51) kept Peak 628 (4.35, 8.74, 120.07 ppm): 6 chemical-shift based assignments, quality = 0.492, support = 3.72, residual support = 12.9: * HB THR 61 - HN VAL 62 16.667% * 70.6287% (0.54 4.77 18.10) = 70.629% kept HA LYS+ 60 - HN VAL 62 16.667% * 16.1409% (0.32 1.82 0.45) = 16.141% kept HA2 GLY 26 - HN VAL 62 16.667% * 6.5502% (0.63 0.38 0.02) = 6.550% kept HA TRP 51 - HN VAL 62 16.667% * 4.2473% (0.35 0.44 0.02) = 4.247% kept HA ALA 37 - HN VAL 62 16.667% * 2.3132% (0.24 0.35 0.02) = 2.313% kept HA SER 27 - HN VAL 62 16.667% * 0.1198% (0.22 0.02 0.02) = 0.120% Peak 629 (2.05, 8.74, 120.07 ppm): 14 chemical-shift based assignments, quality = 0.285, support = 2.77, residual support = 24.6: * O HB VAL 62 - HN VAL 62 7.143% * 73.9439% (0.27 10.0 3.22 32.46) = 73.944% kept HB3 GLU- 64 - HN VAL 62 7.143% * 8.4433% (0.27 1.0 2.28 3.47) = 8.443% kept HG3 GLU- 64 - HN VAL 62 7.143% * 7.5146% (0.38 1.0 1.42 3.47) = 7.515% kept HG2 PRO 112 - HN VAL 62 7.143% * 5.6704% (0.53 1.0 0.77 0.10) = 5.670% kept HB ILE 101 - HN VAL 62 7.143% * 3.3799% (0.19 1.0 1.25 0.80) = 3.380% kept HG3 PRO 86 - HN VAL 62 7.143% * 0.2168% (0.78 1.0 0.02 0.02) = 0.217% HB2 GLU- 45 - HN VAL 62 7.143% * 0.2125% (0.77 1.0 0.02 0.50) = 0.212% HB3 LYS+ 110 - HN VAL 62 7.143% * 0.1736% (0.63 1.0 0.02 0.02) = 0.174% HB3 GLU- 75 - HN VAL 62 7.143% * 0.1508% (0.54 1.0 0.02 0.02) = 0.151% HB3 GLU- 54 - HN VAL 62 7.143% * 0.0972% (0.35 1.0 0.02 0.02) = 0.097% HB3 GLU- 10 - HN VAL 62 7.143% * 0.0739% (0.27 1.0 0.02 0.02) = 0.074% HB3 PRO 31 - HN VAL 62 7.143% * 0.0603% (0.22 1.0 0.02 0.02) = 0.060% HB3 GLU- 107 - HN VAL 62 7.143% * 0.0334% (0.12 1.0 0.02 0.02) = 0.033% HG2 PRO 116 - HN VAL 62 7.143% * 0.0293% (0.11 1.0 0.02 0.02) = 0.029% Peak 630 (4.69, 8.74, 120.07 ppm): 9 chemical-shift based assignments, quality = 0.32, support = 3.11, residual support = 17.2: * O HA THR 61 - HN VAL 62 11.111% * 94.9159% (0.32 10.0 3.26 18.10) = 94.916% kept HA VAL 99 - HN VAL 62 11.111% * 3.4717% (0.44 1.0 0.53 1.04) = 3.472% kept HA THR 39 - HN VAL 62 11.111% * 0.9678% (0.22 1.0 0.30 0.02) = 0.968% HA ASN 89 - HN VAL 62 11.111% * 0.1849% (0.63 1.0 0.02 0.02) = 0.185% HA GLN 16 - HN VAL 62 11.111% * 0.1677% (0.57 1.0 0.02 0.02) = 0.168% HA TYR 83 - HN VAL 62 11.111% * 0.1307% (0.44 1.0 0.02 0.02) = 0.131% HA PRO 35 - HN VAL 62 11.111% * 0.0788% (0.27 1.0 0.02 0.02) = 0.079% HA2 GLY 30 - HN VAL 62 11.111% * 0.0514% (0.17 1.0 0.02 0.02) = 0.051% HA LYS+ 120 - HN VAL 62 11.111% * 0.0312% (0.11 1.0 0.02 0.02) = 0.031% Peak 631 (7.82, 8.74, 120.07 ppm): 3 chemical-shift based assignments, quality = 0.719, support = 5.27, residual support = 18.1: * T HN LYS+ 63 - HN VAL 62 33.333% * 90.1096% (0.74 10.00 5.82 20.04) = 90.110% kept T HN LYS+ 55 - HN VAL 62 33.333% * 9.8579% (0.54 10.00 0.30 0.02) = 9.858% kept HN ALA 93 - HN VAL 62 33.333% * 0.0325% (0.27 1.00 0.02 0.02) = 0.032% Peak 632 (1.11, 8.74, 120.07 ppm): 5 chemical-shift based assignments, quality = 0.595, support = 4.05, residual support = 15.0: * QG2 THR 61 - HN VAL 62 20.000% * 82.4965% (0.57 4.75 18.10) = 82.497% kept QG2 THR 79 - HN VAL 62 20.000% * 17.1429% (0.74 0.76 0.44) = 17.143% kept HD3 LYS+ 111 - HN VAL 62 20.000% * 0.1476% (0.24 0.02 0.02) = 0.148% HG3 LYS+ 32 - HN VAL 62 20.000% * 0.1065% (0.17 0.02 0.02) = 0.106% QG2 THR 95 - HN VAL 62 20.000% * 0.1065% (0.17 0.02 0.02) = 0.106% Peak 633 (3.43, 8.74, 120.07 ppm): 4 chemical-shift based assignments, quality = 0.635, support = 4.0, residual support = 30.9: * O HA VAL 62 - HN VAL 62 25.000% * 93.4188% (0.63 10.0 4.21 32.46) = 93.419% kept HA ILE 48 - HN VAL 62 25.000% * 6.5054% (0.78 1.0 1.12 9.55) = 6.505% kept HA VAL 40 - HN VAL 62 25.000% * 0.0398% (0.27 1.0 0.02 0.02) = 0.040% HA VAL 80 - HN VAL 62 25.000% * 0.0360% (0.24 1.0 0.02 0.90) = 0.036% Peak 634 (8.42, 8.42, 120.11 ppm): 1 diagonal assignment: HN LYS+ 117 - HN LYS+ 117 (0.56) kept Reference assignment not found: HN ASN 15 - HN ASN 15 Peak 636 (2.77, 8.42, 120.11 ppm): 1 chemical-shift based assignment, quality = 0.407, support = 0.02, residual support = 0.02: HB2 ASN 119 - HN LYS+ 117 100.000% *100.0000% (0.41 0.02 0.02) = 100.000% kept Reference assignment not found: HB3 ASN 15 - HN ASN 15 Not enough support, support cutoff is 0.27 Peak unassigned. Peak 637 (2.79, 8.28, 120.11 ppm): 10 chemical-shift based assignments, quality = 0.284, support = 1.84, residual support = 3.75: * O HB3 ASN 89 - HN ASN 89 10.000% * 92.1549% (0.24 10.0 1.98 3.97) = 92.155% kept HB2 ASN 119 - HN ASN 89 10.000% * 5.6118% (0.93 1.0 0.32 1.62) = 5.612% kept HE3 LYS+ 32 - HN ASN 89 10.000% * 1.0901% (0.56 1.0 0.10 0.02) = 1.090% kept HE3 LYS+ 111 - HN ASN 89 10.000% * 0.7628% (0.37 1.0 0.11 0.02) = 0.763% HA2 GLY 58 - HN ASN 89 10.000% * 0.2266% (0.60 1.0 0.02 0.02) = 0.227% HB2 ASN 119 - HN GLU- 12 10.000% * 0.0530% (0.14 1.0 0.02 0.02) = 0.053% HA2 GLY 58 - HN GLU- 12 10.000% * 0.0340% (0.09 1.0 0.02 0.02) = 0.034% HE3 LYS+ 32 - HN GLU- 12 10.000% * 0.0317% (0.08 1.0 0.02 0.02) = 0.032% HE3 LYS+ 111 - HN GLU- 12 10.000% * 0.0210% (0.06 1.0 0.02 0.02) = 0.021% HB3 ASN 89 - HN GLU- 12 10.000% * 0.0140% (0.04 1.0 0.02 0.02) = 0.014% Peak 639 (8.41, 8.42, 119.97 ppm): 1 diagonal assignment: * HN LYS+ 117 - HN LYS+ 117 (0.90) kept Peak 640 (1.79, 8.42, 119.97 ppm): 12 chemical-shift based assignments, quality = 0.788, support = 0.955, residual support = 0.658: HG3 LYS+ 63 - HN LYS+ 117 8.333% * 47.9968% (0.86 1.31 0.73) = 47.997% kept HG2 PRO 31 - HN LYS+ 117 8.333% * 24.8763% (0.88 0.66 0.14) = 24.876% kept HB3 LYS+ 63 - HN LYS+ 117 8.333% * 16.4637% (0.88 0.44 0.73) = 16.464% kept HD3 LYS+ 117 - HN LYS+ 117 8.333% * 7.2797% (0.14 1.19 2.12) = 7.280% kept HB3 LYS+ 108 - HN LYS+ 117 8.333% * 0.7489% (0.88 0.02 0.02) = 0.749% HG3 ARG+ 53 - HN LYS+ 117 8.333% * 0.6339% (0.75 0.02 0.02) = 0.634% HB2 ARG+ 84 - HN LYS+ 117 8.333% * 0.4802% (0.57 0.02 0.02) = 0.480% HG2 ARG+ 84 - HN LYS+ 117 8.333% * 0.4482% (0.53 0.02 0.02) = 0.448% HB3 GLU- 18 - HN LYS+ 117 8.333% * 0.4165% (0.49 0.02 0.02) = 0.417% HB2 GLU- 109 - HN LYS+ 117 8.333% * 0.2971% (0.35 0.02 0.02) = 0.297% HD3 LYS+ 72 - HN LYS+ 117 8.333% * 0.2201% (0.26 0.02 0.02) = 0.220% HG3 LYS+ 108 - HN LYS+ 117 8.333% * 0.1386% (0.16 0.02 0.02) = 0.139% Peak 641 (4.39, 8.42, 119.97 ppm): 16 chemical-shift based assignments, quality = 0.509, support = 0.958, residual support = 3.21: O HA PRO 116 - HN LYS+ 117 6.250% * 95.0379% (0.53 10.0 1.00 3.37) = 95.038% kept HA HIS+ 14 - HN LYS+ 117 6.250% * 2.1287% (0.32 1.0 0.37 0.02) = 2.129% kept HA ASN 57 - HN LYS+ 117 6.250% * 0.3176% (0.88 1.0 0.02 0.02) = 0.318% HA SER 88 - HN LYS+ 117 6.250% * 0.3176% (0.88 1.0 0.02 0.02) = 0.318% HA THR 95 - HN LYS+ 117 6.250% * 0.3099% (0.86 1.0 0.02 0.02) = 0.310% HA ALA 91 - HN LYS+ 117 6.250% * 0.2912% (0.81 1.0 0.02 0.02) = 0.291% HA PRO 104 - HN LYS+ 117 6.250% * 0.2804% (0.78 1.0 0.02 0.02) = 0.280% HA SER 27 - HN LYS+ 117 6.250% * 0.2172% (0.60 1.0 0.02 0.02) = 0.217% HA PRO 112 - HN LYS+ 117 6.250% * 0.2172% (0.60 1.0 0.02 0.02) = 0.217% HA ALA 37 - HN LYS+ 117 6.250% * 0.2036% (0.57 1.0 0.02 0.02) = 0.204% HA LYS+ 60 - HN LYS+ 117 6.250% * 0.1634% (0.45 1.0 0.02 0.02) = 0.163% HA PRO 86 - HN LYS+ 117 6.250% * 0.1634% (0.45 1.0 0.02 0.02) = 0.163% HA TRP 51 - HN LYS+ 117 6.250% * 0.1505% (0.42 1.0 0.02 0.80) = 0.151% HB THR 61 - HN LYS+ 117 6.250% * 0.0837% (0.23 1.0 0.02 0.02) = 0.084% HA2 GLY 26 - HN LYS+ 117 6.250% * 0.0588% (0.16 1.0 0.02 0.02) = 0.059% HA LYS+ 66 - HN LYS+ 117 6.250% * 0.0588% (0.16 1.0 0.02 0.02) = 0.059% Peak 642 (4.79, 8.42, 119.97 ppm): 4 chemical-shift based assignments, quality = 0.297, support = 0.465, residual support = 0.502: HB THR 39 - HN LYS+ 117 25.000% * 78.9621% (0.21 0.58 0.63) = 78.962% kept HA ASN 15 - HN LYS+ 117 25.000% * 10.1485% (0.78 0.02 0.02) = 10.148% kept HA LEU 23 - HN LYS+ 117 25.000% * 7.8599% (0.60 0.02 0.02) = 7.860% kept HA GLU- 18 - HN LYS+ 117 25.000% * 3.0296% (0.23 0.02 0.02) = 3.030% kept Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 643 (4.73, 8.42, 119.97 ppm): 5 chemical-shift based assignments, quality = 0.383, support = 0.324, residual support = 0.443: HA THR 39 - HN LYS+ 117 20.000% * 69.4214% (0.35 0.43 0.63) = 69.421% kept HA2 GLY 30 - HN LYS+ 117 20.000% * 20.5769% (0.42 0.11 0.02) = 20.577% kept HA LYS+ 20 - HN LYS+ 117 20.000% * 6.5448% (0.71 0.02 0.02) = 6.545% kept HA THR 61 - HN LYS+ 117 20.000% * 2.1354% (0.23 0.02 0.02) = 2.135% kept HA VAL 99 - HN LYS+ 117 20.000% * 1.3214% (0.14 0.02 0.02) = 1.321% kept Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 644 (4.20, 8.42, 119.97 ppm): 5 chemical-shift based assignments, quality = 0.585, support = 0.253, residual support = 0.275: HB3 SER 49 - HN LYS+ 117 20.000% * 45.8196% (0.72 0.27 0.55) = 45.820% kept HA GLU- 12 - HN LYS+ 117 20.000% * 28.8262% (0.32 0.39 0.02) = 28.826% kept HA ASP- 82 - HN LYS+ 117 20.000% * 13.6488% (0.75 0.08 0.02) = 13.649% kept HA VAL 73 - HN LYS+ 117 20.000% * 9.0479% (0.49 0.08 0.14) = 9.048% kept HA VAL 65 - HN LYS+ 117 20.000% * 2.6575% (0.57 0.02 0.02) = 2.657% kept Reference assignment not found: HA LYS+ 117 - HN LYS+ 117 Not enough support, support cutoff is 0.27 Peak unassigned. Peak 645 (3.83, 8.42, 119.97 ppm): 7 chemical-shift based assignments, quality = 0.725, support = 1.47, residual support = 2.42: O HA LYS+ 117 - HN LYS+ 117 14.286% * 75.2865% (0.71 10.0 1.00 2.12) = 75.287% kept HD3 PRO 116 - HN LYS+ 117 14.286% * 24.2283% (0.78 1.0 2.94 3.37) = 24.228% kept HA2 GLY 92 - HN LYS+ 117 14.286% * 0.1901% (0.90 1.0 0.02 0.02) = 0.190% HD3 PRO 86 - HN LYS+ 117 14.286% * 0.1506% (0.71 1.0 0.02 0.02) = 0.151% HB3 SER 41 - HN LYS+ 117 14.286% * 0.0739% (0.35 1.0 0.02 0.02) = 0.074% HD3 PRO 112 - HN LYS+ 117 14.286% * 0.0439% (0.21 1.0 0.02 0.02) = 0.044% HB3 SER 88 - HN LYS+ 117 14.286% * 0.0267% (0.13 1.0 0.02 0.02) = 0.027% Peak 649 (8.06, 8.06, 119.92 ppm): 2 diagonal assignments: HN ASN 15 - HN ASN 15 (0.99) kept * HN MET 118 - HN MET 118 (0.95) kept Peak 654 (8.14, 8.14, 119.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 655 (0.92, 8.14, 119.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 656 (0.89, 8.59, 119.88 ppm): 9 chemical-shift based assignments, quality = 0.917, support = 2.87, residual support = 19.2: * QG1 VAL 80 - HN VAL 80 11.111% * 74.8269% (0.98 3.61 25.63) = 74.827% kept QG2 VAL 40 - HN VAL 80 11.111% * 16.1697% (0.82 0.93 0.12) = 16.170% kept HG3 LYS+ 117 - HN VAL 80 11.111% * 5.3410% (0.59 0.42 0.10) = 5.341% kept QG1 VAL 47 - HN VAL 80 11.111% * 1.6110% (0.75 0.10 0.02) = 1.611% kept QD1 LEU 67 - HN VAL 80 11.111% * 1.1622% (0.67 0.08 0.02) = 1.162% kept QG2 VAL 125 - HN VAL 80 11.111% * 0.3467% (0.82 0.02 0.02) = 0.347% QG2 VAL 87 - HN VAL 80 11.111% * 0.3467% (0.82 0.02 0.02) = 0.347% QG2 ILE 100 - HN VAL 80 11.111% * 0.1035% (0.24 0.02 0.02) = 0.103% QD1 LEU 90 - HN VAL 80 11.111% * 0.0924% (0.22 0.02 0.02) = 0.092% Peak 657 (8.58, 8.59, 119.88 ppm): 1 diagonal assignment: * HN VAL 80 - HN VAL 80 (0.93) kept Peak 658 (5.35, 8.59, 119.88 ppm): 1 chemical-shift based assignment, quality = 0.439, support = 3.51, residual support = 16.1: * O HA THR 79 - HN VAL 80 100.000% *100.0000% (0.44 10.0 3.51 16.14) = 100.000% kept Peak 659 (2.25, 8.59, 119.88 ppm): 15 chemical-shift based assignments, quality = 0.466, support = 3.36, residual support = 24.7: * O HB VAL 80 - HN VAL 80 6.667% * 96.2735% (0.48 10.0 3.48 25.63) = 96.274% kept HB3 LYS+ 117 - HN VAL 80 6.667% * 1.6815% (0.40 1.0 0.41 0.10) = 1.681% kept HG3 GLU- 107 - HN VAL 80 6.667% * 0.6922% (0.88 1.0 0.08 0.02) = 0.692% HG2 PRO 112 - HN VAL 80 6.667% * 0.1957% (0.97 1.0 0.02 0.02) = 0.196% HB3 ASN 15 - HN VAL 80 6.667% * 0.1871% (0.93 1.0 0.02 0.02) = 0.187% HG3 GLU- 54 - HN VAL 80 6.667% * 0.1652% (0.82 1.0 0.02 0.02) = 0.165% HG3 GLU- 10 - HN VAL 80 6.667% * 0.1652% (0.82 1.0 0.02 0.02) = 0.165% HG3 GLN 16 - HN VAL 80 6.667% * 0.1584% (0.78 1.0 0.02 0.02) = 0.158% HB3 GLU- 45 - HN VAL 80 6.667% * 0.1436% (0.71 1.0 0.02 0.02) = 0.144% HG3 GLU- 75 - HN VAL 80 6.667% * 0.0813% (0.40 1.0 0.02 0.02) = 0.081% HB2 PRO 52 - HN VAL 80 6.667% * 0.0610% (0.30 1.0 0.02 0.02) = 0.061% HG3 GLU- 109 - HN VAL 80 6.667% * 0.0610% (0.30 1.0 0.02 0.02) = 0.061% HB3 PRO 112 - HN VAL 80 6.667% * 0.0596% (0.30 1.0 0.02 0.02) = 0.060% HG3 GLN 102 - HN VAL 80 6.667% * 0.0440% (0.22 1.0 0.02 0.02) = 0.044% HG3 GLU- 18 - HN VAL 80 6.667% * 0.0305% (0.15 1.0 0.02 0.02) = 0.031% Peak 660 (4.49, 8.59, 119.88 ppm): 9 chemical-shift based assignments, quality = 0.805, support = 3.32, residual support = 13.3: * HB THR 79 - HN VAL 80 11.111% * 82.2947% (0.78 3.97 16.14) = 82.295% kept HA SER 77 - HN VAL 80 11.111% * 8.1507% (0.98 0.32 0.02) = 8.151% kept HA CYS 123 - HN VAL 80 11.111% * 8.1507% (0.98 0.32 0.02) = 8.151% kept HA LYS+ 32 - HN VAL 80 11.111% * 0.3762% (0.71 0.02 0.02) = 0.376% HA MET 126 - HN VAL 80 11.111% * 0.2726% (0.52 0.02 0.02) = 0.273% HA LYS+ 55 - HN VAL 80 11.111% * 0.2726% (0.52 0.02 0.02) = 0.273% HA GLN 102 - HN VAL 80 11.111% * 0.1767% (0.33 0.02 0.02) = 0.177% HA ILE 100 - HN VAL 80 11.111% * 0.1767% (0.33 0.02 0.02) = 0.177% HB THR 46 - HN VAL 80 11.111% * 0.1292% (0.24 0.02 0.02) = 0.129% Peak 661 (3.43, 8.59, 119.88 ppm): 4 chemical-shift based assignments, quality = 0.36, support = 3.8, residual support = 23.7: * O HA VAL 80 - HN VAL 80 25.000% * 92.3678% (0.33 10.0 4.08 25.63) = 92.368% kept HA VAL 62 - HN VAL 80 25.000% * 5.3029% (0.82 1.0 0.47 0.90) = 5.303% kept HA VAL 40 - HN VAL 80 25.000% * 2.0585% (0.37 1.0 0.41 0.12) = 2.058% kept HA ILE 48 - HN VAL 80 25.000% * 0.2708% (0.98 1.0 0.02 0.02) = 0.271% Peak 662 (1.09, 8.59, 119.88 ppm): 3 chemical-shift based assignments, quality = 0.741, support = 2.85, residual support = 11.4: * QG2 THR 79 - HN VAL 80 33.333% * 69.2369% (0.71 3.53 16.14) = 69.237% kept QG2 THR 95 - HN VAL 80 33.333% * 30.2824% (0.82 1.34 0.70) = 30.282% kept QG2 THR 61 - HN VAL 80 33.333% * 0.4807% (0.15 0.12 0.02) = 0.481% Peak 663 (8.24, 8.59, 119.88 ppm): 10 chemical-shift based assignments, quality = 0.882, support = 2.93, residual support = 7.2: * T HN LYS+ 81 - HN VAL 80 10.000% * 71.3661% (0.96 10.00 3.71 9.98) = 71.366% kept T HN THR 106 - HN VAL 80 10.000% * 27.5159% (0.71 10.00 1.04 0.30) = 27.516% kept HN VAL 94 - HN VAL 80 10.000% * 0.7718% (0.27 1.00 0.76 0.02) = 0.772% HN GLU- 12 - HN VAL 80 10.000% * 0.0728% (0.98 1.00 0.02 0.02) = 0.073% HN LEU 67 - HN VAL 80 10.000% * 0.0714% (0.96 1.00 0.02 0.02) = 0.071% HN GLY 58 - HN VAL 80 10.000% * 0.0672% (0.90 1.00 0.02 0.02) = 0.067% HN SER 49 - HN VAL 80 10.000% * 0.0583% (0.78 1.00 0.02 0.02) = 0.058% HN ASP- 115 - HN VAL 80 10.000% * 0.0471% (0.63 1.00 0.02 0.02) = 0.047% HN VAL 105 - HN VAL 80 10.000% * 0.0182% (0.24 1.00 0.02 0.02) = 0.018% HN ALA 11 - HN VAL 80 10.000% * 0.0112% (0.15 1.00 0.02 0.02) = 0.011% Peak 664 (8.79, 8.80, 119.98 ppm): 1 diagonal assignment: * HN SER 69 - HN SER 69 (0.71) kept Peak 665 (4.96, 8.80, 119.98 ppm): 5 chemical-shift based assignments, quality = 0.322, support = 3.3, residual support = 20.1: O HA SER 69 - HN SER 69 20.000% * 94.7824% (0.31 10.0 3.46 21.26) = 94.782% kept HA MET 97 - HN SER 69 20.000% * 3.7449% (0.69 1.0 0.35 0.02) = 3.745% kept HA HIS+ 98 - HN SER 69 20.000% * 1.0941% (0.51 1.0 0.14 0.02) = 1.094% kept HA ILE 101 - HN SER 69 20.000% * 0.3272% (0.28 1.0 0.08 0.02) = 0.327% HA ALA 33 - HN SER 69 20.000% * 0.0513% (0.17 1.0 0.02 0.02) = 0.051% Reference assignment not found: HA ILE 68 - HN SER 69 Peak 666 (0.67, 8.80, 119.98 ppm): 8 chemical-shift based assignments, quality = 0.504, support = 2.36, residual support = 6.65: * QG2 ILE 68 - HN SER 69 12.500% * 60.9135% (0.48 3.55 10.87) = 60.913% kept HG12 ILE 19 - HN SER 69 12.500% * 11.7826% (0.51 0.65 0.13) = 11.783% kept QG2 ILE 48 - HN SER 69 12.500% * 11.0838% (0.73 0.43 0.02) = 11.084% kept QD1 ILE 19 - HN SER 69 12.500% * 8.8479% (0.42 0.59 0.13) = 8.848% kept QG2 VAL 94 - HN SER 69 12.500% * 5.4919% (0.48 0.32 0.02) = 5.492% kept QG2 ILE 101 - HN SER 69 12.500% * 1.2570% (0.39 0.09 0.02) = 1.257% kept QG1 VAL 62 - HN SER 69 12.500% * 0.5303% (0.75 0.02 0.02) = 0.530% QG1 VAL 65 - HN SER 69 12.500% * 0.0929% (0.13 0.02 0.02) = 0.093% Peak 667 (3.70, 8.80, 119.98 ppm): 3 chemical-shift based assignments, quality = 0.719, support = 2.82, residual support = 21.2: * O HB3 SER 69 - HN SER 69 33.333% * 99.8008% (0.72 10.0 2.83 21.26) = 99.801% kept HA LYS+ 81 - HN SER 69 33.333% * 0.1014% (0.73 1.0 0.02 0.43) = 0.101% HB2 TRP 51 - HN SER 69 33.333% * 0.0978% (0.71 1.0 0.02 0.02) = 0.098% Peak 668 (0.91, 8.80, 119.98 ppm): 12 chemical-shift based assignments, quality = 0.5, support = 3.28, residual support = 7.05: * HG12 ILE 68 - HN SER 69 8.333% * 64.3600% (0.48 4.52 10.87) = 64.360% kept QD1 LEU 67 - HN SER 69 8.333% * 25.2112% (0.62 1.37 0.20) = 25.211% kept QG1 VAL 47 - HN SER 69 8.333% * 3.1607% (0.57 0.19 0.02) = 3.161% kept QG2 VAL 105 - HN SER 69 8.333% * 2.8986% (0.28 0.35 0.11) = 2.899% kept QG1 VAL 105 - HN SER 69 8.333% * 2.3838% (0.23 0.35 0.11) = 2.384% kept HG3 LYS+ 117 - HN SER 69 8.333% * 0.3945% (0.67 0.02 0.02) = 0.394% QG2 VAL 80 - HN SER 69 8.333% * 0.3674% (0.62 0.02 0.02) = 0.367% HG3 LYS+ 110 - HN SER 69 8.333% * 0.3194% (0.54 0.02 0.02) = 0.319% QG2 VAL 40 - HN SER 69 8.333% * 0.3021% (0.51 0.02 0.02) = 0.302% QG2 VAL 87 - HN SER 69 8.333% * 0.3021% (0.51 0.02 0.02) = 0.302% QD1 LEU 17 - HN SER 69 8.333% * 0.1500% (0.25 0.02 0.02) = 0.150% QG1 VAL 80 - HN SER 69 8.333% * 0.1500% (0.25 0.02 0.02) = 0.150% Peak 669 (7.95, 8.80, 119.98 ppm): 1 chemical-shift based assignment, quality = 0.72, support = 1.86, residual support = 4.17: * T HN LYS+ 72 - HN SER 69 100.000% *100.0000% (0.72 10.00 1.86 4.17) = 100.000% kept Peak 670 (3.50, 8.80, 119.98 ppm): 2 chemical-shift based assignments, quality = 0.611, support = 0.491, residual support = 0.619: HA1 GLY 30 - HN SER 69 50.000% * 93.0711% (0.65 0.51 0.66) = 93.071% kept HA LYS+ 44 - HN SER 69 50.000% * 6.9289% (0.12 0.21 0.02) = 6.929% kept Peak 671 (0.45, 8.80, 119.98 ppm): 2 chemical-shift based assignments, quality = 0.592, support = 4.35, residual support = 39.3: * QD2 LEU 74 - HN SER 69 50.000% * 93.3968% (0.62 4.56 41.97) = 93.397% kept QD2 LEU 43 - HN SER 69 50.000% * 6.6032% (0.15 1.36 1.67) = 6.603% kept Peak 674 (7.82, 7.83, 119.35 ppm): 1 diagonal assignment: * HN LYS+ 63 - HN LYS+ 63 (0.92) kept Peak 675 (1.78, 7.83, 119.35 ppm): 10 chemical-shift based assignments, quality = 0.64, support = 3.85, residual support = 21.7: * O HB3 LYS+ 63 - HN LYS+ 63 10.000% * 69.3736% (0.52 10.0 3.77 22.47) = 69.374% kept HG3 LYS+ 63 - HN LYS+ 63 10.000% * 27.3104% (0.92 1.0 4.49 22.47) = 27.310% kept HG3 ARG+ 53 - HN LYS+ 63 10.000% * 2.6728% (0.99 1.0 0.41 0.02) = 2.673% kept HB2 ARG+ 84 - HN LYS+ 63 10.000% * 0.1292% (0.98 1.0 0.02 0.02) = 0.129% HG2 ARG+ 84 - HN LYS+ 63 10.000% * 0.1273% (0.96 1.0 0.02 0.02) = 0.127% HB3 GLU- 18 - HN LYS+ 63 10.000% * 0.1247% (0.94 1.0 0.02 0.02) = 0.125% HG2 PRO 31 - HN LYS+ 63 10.000% * 0.1183% (0.89 1.0 0.02 0.02) = 0.118% HB3 LYS+ 108 - HN LYS+ 63 10.000% * 0.0694% (0.52 1.0 0.02 0.02) = 0.069% HD3 PRO 59 - HN LYS+ 63 10.000% * 0.0450% (0.34 1.0 0.02 0.02) = 0.045% HB2 LEU 17 - HN LYS+ 63 10.000% * 0.0294% (0.22 1.0 0.02 0.02) = 0.029% Peak 676 (4.08, 7.83, 119.35 ppm): 7 chemical-shift based assignments, quality = 0.29, support = 3.16, residual support = 18.6: * O HA LYS+ 63 - HN LYS+ 63 14.286% * 82.5807% (0.22 10.0 3.69 22.47) = 82.581% kept HB2 SER 49 - HN LYS+ 63 14.286% * 10.1005% (0.72 1.0 0.75 0.02) = 10.100% kept HB3 SER 49 - HN LYS+ 63 14.286% * 6.0739% (0.55 1.0 0.59 0.02) = 6.074% kept HB THR 38 - HN LYS+ 63 14.286% * 0.7364% (0.48 1.0 0.08 0.02) = 0.736% HA VAL 125 - HN LYS+ 63 14.286% * 0.2400% (0.64 1.0 0.02 0.02) = 0.240% HA THR 24 - HN LYS+ 63 14.286% * 0.1952% (0.52 1.0 0.02 0.02) = 0.195% HA ALA 70 - HN LYS+ 63 14.286% * 0.0734% (0.20 1.0 0.02 0.02) = 0.073% Peak 677 (7.39, 7.83, 119.35 ppm): 2 chemical-shift based assignments, quality = 0.918, support = 5.72, residual support = 22.9: * T HN GLU- 64 - HN LYS+ 63 50.000% * 99.9786% (0.92 10.00 5.73 22.86) = 99.979% kept HE22 GLN 102 - HN LYS+ 63 50.000% * 0.0214% (0.20 1.00 0.02 0.02) = 0.021% Peak 678 (0.95, 7.83, 119.35 ppm): 10 chemical-shift based assignments, quality = 0.92, support = 2.9, residual support = 16.1: * QG2 VAL 62 - HN LYS+ 63 10.000% * 80.4189% (0.94 3.51 20.04) = 80.419% kept QG2 VAL 99 - HN LYS+ 63 10.000% * 9.0858% (0.83 0.45 0.02) = 9.086% kept QG2 ILE 29 - HN LYS+ 63 10.000% * 8.7790% (0.99 0.36 0.02) = 8.779% kept QG2 VAL 73 - HN LYS+ 63 10.000% * 0.4800% (0.99 0.02 0.02) = 0.480% QG1 VAL 105 - HN LYS+ 63 10.000% * 0.3133% (0.64 0.02 0.02) = 0.313% QD1 LEU 17 - HN LYS+ 63 10.000% * 0.2937% (0.60 0.02 0.02) = 0.294% QG2 VAL 105 - HN LYS+ 63 10.000% * 0.2742% (0.56 0.02 0.02) = 0.274% HG12 ILE 68 - HN LYS+ 63 10.000% * 0.1495% (0.31 0.02 0.02) = 0.149% HG3 LYS+ 110 - HN LYS+ 63 10.000% * 0.1208% (0.25 0.02 0.02) = 0.121% QG2 VAL 80 - HN LYS+ 63 10.000% * 0.0848% (0.17 0.02 0.02) = 0.085% Peak 679 (4.36, 7.83, 119.35 ppm): 7 chemical-shift based assignments, quality = 0.669, support = 2.32, residual support = 2.44: * HB THR 61 - HN LYS+ 63 14.286% * 69.2380% (0.76 2.86 3.19) = 69.238% kept HA LYS+ 60 - HN LYS+ 63 14.286% * 22.0785% (0.48 1.43 1.04) = 22.078% kept HA TRP 51 - HN LYS+ 63 14.286% * 6.8218% (0.52 0.41 0.02) = 6.822% kept HA SER 27 - HN LYS+ 63 14.286% * 0.9628% (0.34 0.09 0.02) = 0.963% HA2 GLY 26 - HN LYS+ 63 14.286% * 0.5500% (0.86 0.02 0.02) = 0.550% HA ALA 37 - HN LYS+ 63 14.286% * 0.2379% (0.37 0.02 0.02) = 0.238% HA ALA 91 - HN LYS+ 63 14.286% * 0.1110% (0.17 0.02 0.02) = 0.111% Peak 680 (2.04, 7.83, 119.35 ppm): 14 chemical-shift based assignments, quality = 0.736, support = 2.34, residual support = 20.0: * HG3 GLU- 64 - HN LYS+ 63 7.143% * 47.9678% (0.83 2.61 22.86) = 47.968% kept HB3 GLU- 64 - HN LYS+ 63 7.143% * 39.4915% (0.68 2.61 22.86) = 39.491% kept HG2 PRO 112 - HN LYS+ 63 7.143% * 8.3741% (0.65 0.58 0.02) = 8.374% kept HB3 GLU- 54 - HN LYS+ 63 7.143% * 1.6978% (0.80 0.10 0.02) = 1.698% kept HB3 LYS+ 110 - HN LYS+ 63 7.143% * 0.4388% (0.99 0.02 0.02) = 0.439% HG3 PRO 86 - HN LYS+ 63 7.143% * 0.3673% (0.83 0.02 0.02) = 0.367% HB2 GLU- 45 - HN LYS+ 63 7.143% * 0.3194% (0.72 0.02 0.02) = 0.319% HB3 GLU- 10 - HN LYS+ 63 7.143% * 0.3021% (0.68 0.02 0.02) = 0.302% HB3 PRO 31 - HN LYS+ 63 7.143% * 0.2667% (0.60 0.02 0.02) = 0.267% HB3 GLU- 75 - HN LYS+ 63 7.143% * 0.2644% (0.60 0.02 0.02) = 0.264% HB3 GLU- 107 - HN LYS+ 63 7.143% * 0.1808% (0.41 0.02 0.02) = 0.181% HG2 PRO 116 - HN LYS+ 63 7.143% * 0.1651% (0.37 0.02 0.25) = 0.165% HB2 GLU- 18 - HN LYS+ 63 7.143% * 0.0870% (0.20 0.02 0.02) = 0.087% HG3 PRO 112 - HN LYS+ 63 7.143% * 0.0770% (0.17 0.02 0.02) = 0.077% Peak 681 (1.44, 7.83, 119.35 ppm): 13 chemical-shift based assignments, quality = 0.793, support = 0.829, residual support = 0.812: HG3 LYS+ 113 - HN LYS+ 63 7.692% * 24.9885% (0.96 1.03 1.30) = 24.988% kept HG3 LYS+ 55 - HN LYS+ 63 7.692% * 19.2555% (0.92 0.83 0.72) = 19.255% kept HG3 LYS+ 60 - HN LYS+ 63 7.692% * 16.5964% (0.48 1.35 1.04) = 16.596% kept HG LEU 90 - HN LYS+ 63 7.692% * 10.4667% (0.99 0.42 0.02) = 10.467% kept HG3 ARG+ 22 - HN LYS+ 63 7.692% * 9.0791% (0.92 0.39 0.02) = 9.079% kept HD3 LYS+ 113 - HN LYS+ 63 7.692% * 8.3776% (0.89 0.37 1.30) = 8.378% kept HG3 PRO 52 - HN LYS+ 63 7.692% * 5.1716% (0.15 1.33 1.23) = 5.172% kept HG2 PRO 59 - HN LYS+ 63 7.692% * 2.1470% (0.48 0.18 0.02) = 2.147% kept QG2 THR 38 - HN LYS+ 63 7.692% * 1.6448% (0.80 0.08 0.02) = 1.645% kept QB ALA 37 - HN LYS+ 63 7.692% * 1.4462% (0.22 0.26 0.02) = 1.446% kept QB ALA 91 - HN LYS+ 63 7.692% * 0.3657% (0.72 0.02 0.02) = 0.366% HD3 LYS+ 44 - HN LYS+ 63 7.692% * 0.3055% (0.60 0.02 1.25) = 0.305% HG13 ILE 48 - HN LYS+ 63 7.692% * 0.1554% (0.31 0.02 0.02) = 0.155% Peak 682 (8.74, 7.83, 119.35 ppm): 4 chemical-shift based assignments, quality = 0.743, support = 3.86, residual support = 12.1: * T HN VAL 62 - HN LYS+ 63 25.000% * 59.7605% (0.64 10.00 5.82 20.04) = 59.761% kept T HN GLU- 56 - HN LYS+ 63 25.000% * 40.1128% (0.89 10.00 0.97 0.36) = 40.113% kept HN ILE 101 - HN LYS+ 63 25.000% * 0.0853% (0.92 1.00 0.02 0.02) = 0.085% HN PHE 34 - HN LYS+ 63 25.000% * 0.0414% (0.45 1.00 0.02 0.02) = 0.041% Peak 683 (3.43, 7.83, 119.35 ppm): 4 chemical-shift based assignments, quality = 0.697, support = 4.62, residual support = 19.0: * O HA VAL 62 - HN LYS+ 63 25.000% * 95.0161% (0.68 10.0 4.82 20.04) = 95.016% kept HA ILE 48 - HN LYS+ 63 25.000% * 4.9186% (0.96 1.0 0.74 0.02) = 4.919% kept HA VAL 40 - HN LYS+ 63 25.000% * 0.0345% (0.25 1.0 0.02 0.02) = 0.034% HA VAL 80 - HN LYS+ 63 25.000% * 0.0308% (0.22 1.0 0.02 0.02) = 0.031% Peak 684 (8.75, 8.76, 119.28 ppm): 1 diagonal assignment: * HN PHE 34 - HN PHE 34 (0.73) kept Peak 685 (7.31, 8.76, 119.28 ppm): 7 chemical-shift based assignments, quality = 0.7, support = 1.93, residual support = 19.6: * QD PHE 34 - HN PHE 34 14.286% * 46.6665% (0.90 2.49 23.73) = 46.667% kept HZ PHE 34 - HN PHE 34 14.286% * 17.2441% (0.45 1.84 23.73) = 17.244% kept QE PHE 34 - HN PHE 34 14.286% * 17.2441% (0.45 1.84 23.73) = 17.244% kept HN ILE 48 - HN PHE 34 14.286% * 9.7588% (0.49 0.96 1.37) = 9.759% kept HN VAL 47 - HN PHE 34 14.286% * 8.4960% (0.94 0.43 2.97) = 8.496% kept HN ARG+ 84 - HN PHE 34 14.286% * 0.4031% (0.96 0.02 2.40) = 0.403% HZ2 TRP 51 - HN PHE 34 14.286% * 0.1873% (0.45 0.02 0.02) = 0.187% Peak 686 (4.91, 8.76, 119.28 ppm): 2 chemical-shift based assignments, quality = 0.173, support = 2.84, residual support = 8.87: * O HA ALA 33 - HN PHE 34 50.000% * 91.9463% (0.17 10.0 2.92 7.72) = 91.946% kept HA ILE 19 - HN PHE 34 50.000% * 8.0537% (0.15 1.0 1.99 22.00) = 8.054% kept Peak 687 (2.60, 8.76, 119.28 ppm): 6 chemical-shift based assignments, quality = 0.781, support = 3.28, residual support = 21.2: * O HB2 PHE 34 - HN PHE 34 16.667% * 89.3867% (0.80 10.0 3.43 23.73) = 89.387% kept HB3 PRO 35 - HN PHE 34 16.667% * 8.7001% (0.69 1.0 2.27 0.35) = 8.700% kept HE3 LYS+ 20 - HN PHE 34 16.667% * 1.7666% (0.34 1.0 0.93 0.26) = 1.767% kept HG2 MET 118 - HN PHE 34 16.667% * 0.1001% (0.90 1.0 0.02 0.02) = 0.100% HB2 ASP- 25 - HN PHE 34 16.667% * 0.0278% (0.25 1.0 0.02 0.02) = 0.028% HG2 PRO 112 - HN PHE 34 16.667% * 0.0187% (0.17 1.0 0.02 0.02) = 0.019% Peak 688 (1.13, 8.76, 119.28 ppm): 5 chemical-shift based assignments, quality = 0.745, support = 1.66, residual support = 7.53: * QB ALA 33 - HN PHE 34 20.000% * 49.7840% (0.57 2.39 7.72) = 49.784% kept HG3 LYS+ 32 - HN PHE 34 20.000% * 39.9502% (0.99 1.09 9.22) = 39.950% kept QG2 THR 61 - HN PHE 34 20.000% * 9.4173% (0.73 0.35 0.02) = 9.417% kept HD3 LYS+ 111 - HN PHE 34 20.000% * 0.7349% (1.00 0.02 0.02) = 0.735% QG2 THR 79 - HN PHE 34 20.000% * 0.1136% (0.15 0.02 0.02) = 0.114% Peak 689 (5.01, 8.76, 119.28 ppm): 3 chemical-shift based assignments, quality = 0.645, support = 0.225, residual support = 0.0875: HA ILE 68 - HN PHE 34 33.333% * 51.2420% (0.76 0.25 0.15) = 51.242% kept HA PRO 31 - HN PHE 34 33.333% * 28.9463% (0.69 0.16 0.02) = 28.946% kept HA SER 69 - HN PHE 34 33.333% * 19.8117% (0.28 0.26 0.02) = 19.812% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 690 (3.15, 8.76, 119.28 ppm): 6 chemical-shift based assignments, quality = 0.599, support = 3.39, residual support = 23.5: * O HB3 PHE 34 - HN PHE 34 16.667% * 98.8463% (0.61 10.0 3.43 23.73) = 98.846% kept HD3 ARG+ 84 - HN PHE 34 16.667% * 0.8664% (0.31 1.0 0.34 2.40) = 0.866% HB3 HIS+ 98 - HN PHE 34 16.667% * 0.1414% (0.87 1.0 0.02 0.02) = 0.141% HE3 LYS+ 117 - HN PHE 34 16.667% * 0.0503% (0.31 1.0 0.02 0.02) = 0.050% HE3 LYS+ 108 - HN PHE 34 16.667% * 0.0503% (0.31 1.0 0.02 0.02) = 0.050% HE3 LYS+ 72 - HN PHE 34 16.667% * 0.0453% (0.28 1.0 0.02 0.02) = 0.045% Peak 691 (8.96, 8.76, 119.28 ppm): 6 chemical-shift based assignments, quality = 0.635, support = 1.66, residual support = 16.4: * T HN ILE 19 - HN PHE 34 16.667% * 74.1821% (0.61 10.00 2.08 22.00) = 74.182% kept T HN ARG+ 22 - HN PHE 34 16.667% * 22.7165% (0.76 10.00 0.49 0.19) = 22.717% kept T HN LEU 17 - HN PHE 34 16.667% * 1.2231% (1.00 10.00 0.02 0.02) = 1.223% kept HN PHE 21 - HN PHE 34 16.667% * 0.9225% (0.57 1.00 0.27 0.02) = 0.923% T HN THR 96 - HN PHE 34 16.667% * 0.8401% (0.69 10.00 0.02 0.02) = 0.840% HN MET 97 - HN PHE 34 16.667% * 0.1157% (0.94 1.00 0.02 0.02) = 0.116% Peak 692 (4.69, 8.17, 119.35 ppm): 8 chemical-shift based assignments, quality = 0.744, support = 4.87, residual support = 62.7: * O HA GLN 16 - HN GLN 16 12.500% * 98.3388% (0.75 10.0 4.94 63.73) = 98.339% kept HA THR 39 - HN GLN 16 12.500% * 1.2876% (0.30 1.0 0.65 0.02) = 1.288% kept HA ASN 89 - HN GLN 16 12.500% * 0.0983% (0.75 1.0 0.02 0.02) = 0.098% HA VAL 99 - HN GLN 16 12.500% * 0.0780% (0.60 1.0 0.02 0.02) = 0.078% HA TYR 83 - HN GLN 16 12.500% * 0.0677% (0.52 1.0 0.02 0.02) = 0.068% HA THR 61 - HN GLN 16 12.500% * 0.0577% (0.44 1.0 0.02 0.02) = 0.058% HA PRO 35 - HN GLN 16 12.500% * 0.0397% (0.30 1.0 0.02 0.02) = 0.040% HA2 GLY 30 - HN GLN 16 12.500% * 0.0321% (0.25 1.0 0.02 0.02) = 0.032% Peak 693 (1.71, 8.17, 119.35 ppm): 4 chemical-shift based assignments, quality = 0.787, support = 4.8, residual support = 63.6: * O HB2 GLN 16 - HN GLN 16 25.000% * 99.8529% (0.79 10.0 4.81 63.73) = 99.853% kept HG2 PRO 52 - HN GLN 16 25.000% * 0.0656% (0.52 1.0 0.02 0.12) = 0.066% HG13 ILE 19 - HN GLN 16 25.000% * 0.0468% (0.37 1.0 0.02 1.50) = 0.047% HD3 LYS+ 55 - HN GLN 16 25.000% * 0.0347% (0.27 1.0 0.02 0.02) = 0.035% Peak 694 (2.78, 8.17, 119.35 ppm): 3 chemical-shift based assignments, quality = 0.885, support = 1.26, residual support = 1.7: HB2 ASN 119 - HN GLN 16 33.333% * 96.6228% (0.91 1.30 1.76) = 96.623% kept HA2 GLY 58 - HN GLN 16 33.333% * 1.8415% (0.22 0.10 0.02) = 1.842% kept HE3 LYS+ 32 - HN GLN 16 33.333% * 1.5356% (0.19 0.10 0.02) = 1.536% kept Reference assignment not found: HB3 ASN 15 - HN GLN 16 Peak 696 (8.17, 8.17, 119.35 ppm): 1 diagonal assignment: * HN GLN 16 - HN GLN 16 (0.98) kept Peak 697 (1.88, 8.17, 119.35 ppm): 15 chemical-shift based assignments, quality = 0.716, support = 4.53, residual support = 61.8: * O HB3 GLN 16 - HN GLN 16 6.667% * 96.9395% (0.71 10.0 4.67 63.73) = 96.940% kept HG3 LYS+ 120 - HN GLN 16 6.667% * 2.3350% (0.98 1.0 0.35 0.02) = 2.335% kept HD3 PRO 52 - HN GLN 16 6.667% * 0.1232% (0.91 1.0 0.02 0.12) = 0.123% HB3 ARG+ 84 - HN GLN 16 6.667% * 0.1197% (0.88 1.0 0.02 0.02) = 0.120% HG2 GLU- 18 - HN GLN 16 6.667% * 0.0969% (0.71 1.0 0.02 1.50) = 0.097% HB3 CYS 123 - HN GLN 16 6.667% * 0.0650% (0.48 1.0 0.02 0.02) = 0.065% HD2 PRO 59 - HN GLN 16 6.667% * 0.0549% (0.40 1.0 0.02 0.55) = 0.055% HB VAL 94 - HN GLN 16 6.667% * 0.0501% (0.37 1.0 0.02 0.02) = 0.050% HB2 PRO 112 - HN GLN 16 6.667% * 0.0486% (0.36 1.0 0.02 0.02) = 0.049% HB3 ARG+ 53 - HN GLN 16 6.667% * 0.0455% (0.34 1.0 0.02 0.02) = 0.046% HG2 PRO 112 - HN GLN 16 6.667% * 0.0305% (0.22 1.0 0.02 0.02) = 0.030% HB2 PRO 104 - HN GLN 16 6.667% * 0.0264% (0.19 1.0 0.02 0.02) = 0.026% HB3 LYS+ 72 - HN GLN 16 6.667% * 0.0234% (0.17 1.0 0.02 0.02) = 0.023% HB3 LYS+ 60 - HN GLN 16 6.667% * 0.0206% (0.15 1.0 0.02 0.02) = 0.021% HB3 GLN 102 - HN GLN 16 6.667% * 0.0206% (0.15 1.0 0.02 1.71) = 0.021% Peak 698 (2.25, 8.17, 119.35 ppm): 16 chemical-shift based assignments, quality = 0.86, support = 3.77, residual support = 46.4: * HG3 GLN 16 - HN GLN 16 6.250% * 72.6131% (0.85 4.71 63.73) = 72.613% kept HB3 ASN 15 - HN GLN 16 6.250% * 24.8941% (0.96 1.43 0.30) = 24.894% kept HG2 PRO 112 - HN GLN 16 6.250% * 0.3525% (0.98 0.02 0.02) = 0.352% HG3 GLU- 10 - HN GLN 16 6.250% * 0.3191% (0.88 0.02 0.02) = 0.319% HG3 GLU- 107 - HN GLN 16 6.250% * 0.2972% (0.82 0.02 0.30) = 0.297% HB3 GLU- 45 - HN GLN 16 6.250% * 0.2849% (0.79 0.02 0.02) = 0.285% HG3 GLU- 54 - HN GLN 16 6.250% * 0.2719% (0.75 0.02 0.02) = 0.272% HB VAL 80 - HN GLN 16 6.250% * 0.1463% (0.40 0.02 0.02) = 0.146% HG3 GLU- 109 - HN GLN 16 6.250% * 0.1335% (0.37 0.02 0.02) = 0.134% HB2 PRO 52 - HN GLN 16 6.250% * 0.1335% (0.37 0.02 0.12) = 0.134% HB3 LYS+ 117 - HN GLN 16 6.250% * 0.1214% (0.34 0.02 0.02) = 0.121% HG3 GLU- 75 - HN GLN 16 6.250% * 0.1214% (0.34 0.02 0.02) = 0.121% HG3 GLN 102 - HN GLN 16 6.250% * 0.0989% (0.27 0.02 1.71) = 0.099% HB3 PRO 112 - HN GLN 16 6.250% * 0.0871% (0.24 0.02 0.02) = 0.087% HG3 GLU- 18 - HN GLN 16 6.250% * 0.0704% (0.19 0.02 1.50) = 0.070% HB2 GLU- 50 - HN GLN 16 6.250% * 0.0549% (0.15 0.02 0.90) = 0.055% Peak 699 (2.08, 8.17, 119.35 ppm): 12 chemical-shift based assignments, quality = 0.911, support = 3.51, residual support = 52.6: * HG2 GLN 16 - HN GLN 16 8.333% * 82.5614% (0.95 4.19 63.73) = 82.561% kept HB3 LYS+ 120 - HN GLN 16 8.333% * 7.1475% (0.98 0.35 0.02) = 7.148% kept HB VAL 62 - HN GLN 16 8.333% * 4.6298% (0.85 0.26 0.02) = 4.630% kept HB2 MET 118 - HN GLN 16 8.333% * 3.4791% (0.48 0.35 0.02) = 3.479% kept HB3 GLU- 75 - HN GLN 16 8.333% * 0.3869% (0.93 0.02 0.02) = 0.387% HB ILE 101 - HN GLN 16 8.333% * 0.3866% (0.93 0.02 0.02) = 0.387% HD3 LYS+ 110 - HN GLN 16 8.333% * 0.3272% (0.79 0.02 0.02) = 0.327% HG2 PRO 112 - HN GLN 16 8.333% * 0.3134% (0.75 0.02 0.02) = 0.313% HB2 LYS+ 110 - HN GLN 16 8.333% * 0.2967% (0.71 0.02 0.02) = 0.297% HB VAL 125 - HN GLN 16 8.333% * 0.2644% (0.64 0.02 0.02) = 0.264% HB VAL 65 - HN GLN 16 8.333% * 0.1261% (0.30 0.02 0.02) = 0.126% HB2 GLU- 45 - HN GLN 16 8.333% * 0.0809% (0.19 0.02 0.02) = 0.081% Peak 700 (4.12, 8.25, 118.98 ppm): 18 chemical-shift based assignments, quality = 0.673, support = 0.655, residual support = 1.26: HB3 SER 49 - HN THR 106 5.556% * 31.7063% (0.89 0.71 0.45) = 31.706% kept HA THR 46 - HN LYS+ 81 5.556% * 31.0824% (0.60 1.03 3.57) = 31.082% kept HA THR 46 - HN THR 106 5.556% * 16.6838% (0.91 0.36 0.02) = 16.684% kept HA LYS+ 110 - HN LYS+ 81 5.556% * 6.8758% (0.32 0.43 0.02) = 6.876% kept HA2 GLY 71 - HN THR 106 5.556% * 4.4435% (0.41 0.22 0.02) = 4.444% kept HA2 GLY 71 - HN LYS+ 81 5.556% * 3.1396% (0.27 0.23 0.02) = 3.140% kept HA LYS+ 63 - HN LYS+ 81 5.556% * 1.4074% (0.37 0.08 0.02) = 1.407% kept HA ARG+ 53 - HN THR 106 5.556% * 0.7579% (0.75 0.02 0.02) = 0.758% HA ALA 70 - HN THR 106 5.556% * 0.6015% (0.60 0.02 0.02) = 0.602% HB3 SER 49 - HN LYS+ 81 5.556% * 0.5871% (0.58 0.02 0.02) = 0.587% HA LYS+ 63 - HN THR 106 5.556% * 0.5615% (0.56 0.02 0.02) = 0.561% HA ARG+ 53 - HN LYS+ 81 5.556% * 0.4986% (0.50 0.02 0.02) = 0.499% HA LYS+ 110 - HN THR 106 5.556% * 0.4827% (0.48 0.02 0.02) = 0.483% HA ALA 70 - HN LYS+ 81 5.556% * 0.3957% (0.39 0.02 0.02) = 0.396% HA THR 24 - HN THR 106 5.556% * 0.2473% (0.25 0.02 0.02) = 0.247% HB2 SER 88 - HN THR 106 5.556% * 0.2208% (0.22 0.02 0.02) = 0.221% HA THR 24 - HN LYS+ 81 5.556% * 0.1627% (0.16 0.02 0.02) = 0.163% HB2 SER 88 - HN LYS+ 81 5.556% * 0.1453% (0.14 0.02 0.02) = 0.145% Peak 701 (8.25, 8.26, 118.98 ppm): 2 diagonal assignments: * HN THR 106 - HN THR 106 (0.98) kept HN LYS+ 81 - HN LYS+ 81 (0.35) kept Peak 703 (4.29, 8.25, 118.98 ppm): 30 chemical-shift based assignments, quality = 0.97, support = 2.87, residual support = 18.3: * O HA THR 106 - HN THR 106 3.333% * 98.5445% (0.98 10.0 2.91 18.53) = 98.544% kept HA CYS 121 - HN THR 106 3.333% * 0.0979% (0.98 1.0 0.02 0.02) = 0.098% HB3 CYS 121 - HN THR 106 3.333% * 0.0979% (0.98 1.0 0.02 0.02) = 0.098% HA LEU 90 - HN THR 106 3.333% * 0.0886% (0.88 1.0 0.02 0.02) = 0.089% HA ASP- 36 - HN THR 106 3.333% * 0.0857% (0.86 1.0 0.02 0.02) = 0.086% HA VAL 122 - HN THR 106 3.333% * 0.0825% (0.82 1.0 0.02 0.02) = 0.082% HA THR 106 - HN LYS+ 81 3.333% * 0.0648% (0.65 1.0 0.02 2.05) = 0.065% HA CYS 121 - HN LYS+ 81 3.333% * 0.0644% (0.64 1.0 0.02 0.02) = 0.064% HB3 CYS 121 - HN LYS+ 81 3.333% * 0.0644% (0.64 1.0 0.02 0.02) = 0.064% HA VAL 94 - HN THR 106 3.333% * 0.0639% (0.64 1.0 0.02 0.02) = 0.064% HA ARG+ 84 - HN THR 106 3.333% * 0.0599% (0.60 1.0 0.02 0.02) = 0.060% HA PRO 52 - HN THR 106 3.333% * 0.0599% (0.60 1.0 0.02 0.02) = 0.060% HA SER 85 - HN THR 106 3.333% * 0.0599% (0.60 1.0 0.02 0.02) = 0.060% HA LEU 90 - HN LYS+ 81 3.333% * 0.0583% (0.58 1.0 0.02 0.02) = 0.058% HA ASP- 36 - HN LYS+ 81 3.333% * 0.0564% (0.56 1.0 0.02 0.02) = 0.056% HA VAL 122 - HN LYS+ 81 3.333% * 0.0543% (0.54 1.0 0.02 0.02) = 0.054% HA VAL 94 - HN LYS+ 81 3.333% * 0.0420% (0.42 1.0 0.02 0.28) = 0.042% HA PRO 52 - HN LYS+ 81 3.333% * 0.0394% (0.39 1.0 0.02 0.02) = 0.039% HA ARG+ 84 - HN LYS+ 81 3.333% * 0.0394% (0.39 1.0 0.02 6.94) = 0.039% HA SER 85 - HN LYS+ 81 3.333% * 0.0394% (0.39 1.0 0.02 0.02) = 0.039% HA GLU- 56 - HN THR 106 3.333% * 0.0371% (0.37 1.0 0.02 0.02) = 0.037% HA ILE 29 - HN THR 106 3.333% * 0.0371% (0.37 1.0 0.02 0.02) = 0.037% HA GLU- 64 - HN THR 106 3.333% * 0.0246% (0.25 1.0 0.02 0.02) = 0.025% HA GLU- 56 - HN LYS+ 81 3.333% * 0.0244% (0.24 1.0 0.02 0.02) = 0.024% HA ILE 29 - HN LYS+ 81 3.333% * 0.0244% (0.24 1.0 0.02 0.02) = 0.024% HA ALA 93 - HN THR 106 3.333% * 0.0220% (0.22 1.0 0.02 0.02) = 0.022% HA GLU- 75 - HN THR 106 3.333% * 0.0220% (0.22 1.0 0.02 0.02) = 0.022% HA GLU- 64 - HN LYS+ 81 3.333% * 0.0162% (0.16 1.0 0.02 0.02) = 0.016% HA ALA 93 - HN LYS+ 81 3.333% * 0.0145% (0.14 1.0 0.02 0.11) = 0.014% HA GLU- 75 - HN LYS+ 81 3.333% * 0.0145% (0.14 1.0 0.02 0.02) = 0.014% Peak 706 (2.00, 8.25, 118.98 ppm): 36 chemical-shift based assignments, quality = 0.411, support = 1.17, residual support = 3.45: * HB3 GLU- 107 - HN THR 106 2.778% * 49.8029% (0.48 2.01 6.73) = 49.803% kept HB2 HIS+ 14 - HN THR 106 2.778% * 7.9232% (0.86 0.18 0.02) = 7.923% kept HB VAL 73 - HN THR 106 2.778% * 6.6938% (0.17 0.75 0.11) = 6.694% kept HB VAL 73 - HN LYS+ 81 2.778% * 6.4775% (0.11 1.10 1.31) = 6.477% kept HB2 LYS+ 108 - HN THR 106 2.778% * 4.6647% (0.68 0.13 0.02) = 4.665% kept HB2 HIS+ 14 - HN LYS+ 81 2.778% * 4.5116% (0.56 0.16 0.02) = 4.512% kept HG3 PRO 104 - HN THR 106 2.778% * 2.9946% (0.22 0.26 0.02) = 2.995% kept HB3 PRO 31 - HN LYS+ 81 2.778% * 2.7105% (0.20 0.26 0.02) = 2.711% kept HB2 GLU- 18 - HN LYS+ 81 2.778% * 2.2921% (0.50 0.09 0.02) = 2.292% kept HG3 PRO 104 - HN LYS+ 81 2.778% * 1.3377% (0.14 0.18 0.02) = 1.338% kept HB3 GLU- 75 - HN THR 106 2.778% * 1.1912% (0.24 0.09 0.02) = 1.191% kept HB3 MET 118 - HN THR 106 2.778% * 0.8837% (0.86 0.02 0.02) = 0.884% HG3 PRO 112 - HN THR 106 2.778% * 0.8157% (0.79 0.02 0.02) = 0.816% HB2 GLU- 18 - HN THR 106 2.778% * 0.7785% (0.75 0.02 0.02) = 0.779% HB3 MET 118 - HN LYS+ 81 2.778% * 0.5813% (0.56 0.02 0.02) = 0.581% HG2 PRO 112 - HN THR 106 2.778% * 0.5468% (0.53 0.02 0.02) = 0.547% HG3 PRO 112 - HN LYS+ 81 2.778% * 0.5366% (0.52 0.02 0.02) = 0.537% HG2 PRO 116 - HN THR 106 2.778% * 0.5360% (0.52 0.02 0.02) = 0.536% HB2 PRO 86 - HN THR 106 2.778% * 0.4959% (0.48 0.02 0.02) = 0.496% HB2 LYS+ 108 - HN LYS+ 81 2.778% * 0.4603% (0.45 0.02 0.02) = 0.460% HG2 PRO 112 - HN LYS+ 81 2.778% * 0.3597% (0.35 0.02 0.02) = 0.360% HG2 PRO 116 - HN LYS+ 81 2.778% * 0.3526% (0.34 0.02 0.02) = 0.353% HB3 GLU- 107 - HN LYS+ 81 2.778% * 0.3262% (0.32 0.02 0.02) = 0.326% HB2 PRO 86 - HN LYS+ 81 2.778% * 0.3262% (0.32 0.02 0.02) = 0.326% HB3 GLU- 56 - HN THR 106 2.778% * 0.3144% (0.30 0.02 0.02) = 0.314% HB3 PRO 31 - HN THR 106 2.778% * 0.3144% (0.30 0.02 0.02) = 0.314% HB3 GLU- 10 - HN THR 106 2.778% * 0.2540% (0.25 0.02 0.02) = 0.254% HB3 GLU- 64 - HN THR 106 2.778% * 0.2540% (0.25 0.02 0.02) = 0.254% HB3 GLU- 56 - HN LYS+ 81 2.778% * 0.2068% (0.20 0.02 0.02) = 0.207% HB3 GLU- 54 - HN THR 106 2.778% * 0.1784% (0.17 0.02 0.02) = 0.178% HB3 GLU- 10 - HN LYS+ 81 2.778% * 0.1671% (0.16 0.02 0.02) = 0.167% HB3 GLU- 64 - HN LYS+ 81 2.778% * 0.1671% (0.16 0.02 0.02) = 0.167% HB3 GLU- 75 - HN LYS+ 81 2.778% * 0.1663% (0.16 0.02 0.02) = 0.166% HG3 GLU- 64 - HN THR 106 2.778% * 0.1572% (0.15 0.02 0.02) = 0.157% HB3 GLU- 54 - HN LYS+ 81 2.778% * 0.1174% (0.11 0.02 0.02) = 0.117% HG3 GLU- 64 - HN LYS+ 81 2.778% * 0.1034% (0.10 0.02 0.02) = 0.103% Peak 707 (1.66, 8.24, 118.98 ppm): 20 chemical-shift based assignments, quality = 0.73, support = 4.2, residual support = 44.9: * O HB3 LYS+ 81 - HN LYS+ 81 5.000% * 85.8047% (0.75 10.0 4.73 51.84) = 85.805% kept HB3 LYS+ 81 - HN THR 106 5.000% * 5.4453% (0.65 1.0 1.47 2.05) = 5.445% kept HG3 ARG+ 84 - HN LYS+ 81 5.000% * 4.5921% (0.82 1.0 0.97 6.94) = 4.592% kept HG2 ARG+ 22 - HN LYS+ 81 5.000% * 1.7964% (0.37 1.0 0.85 0.02) = 1.796% kept HB3 LYS+ 66 - HN THR 106 5.000% * 1.3853% (0.77 1.0 0.31 0.02) = 1.385% kept HB ILE 100 - HN LYS+ 81 5.000% * 0.1027% (0.89 1.0 0.02 0.02) = 0.103% HB3 LYS+ 66 - HN LYS+ 81 5.000% * 0.1025% (0.89 1.0 0.02 0.02) = 0.102% HB3 MET 97 - HN LYS+ 81 5.000% * 0.1007% (0.87 1.0 0.02 0.02) = 0.101% HB3 MET 126 - HN LYS+ 81 5.000% * 0.0972% (0.84 1.0 0.02 0.02) = 0.097% HB ILE 100 - HN THR 106 5.000% * 0.0890% (0.77 1.0 0.02 0.02) = 0.089% HB3 MET 97 - HN THR 106 5.000% * 0.0872% (0.76 1.0 0.02 0.02) = 0.087% HB3 MET 126 - HN THR 106 5.000% * 0.0842% (0.73 1.0 0.02 0.02) = 0.084% HG3 ARG+ 84 - HN THR 106 5.000% * 0.0821% (0.71 1.0 0.02 0.02) = 0.082% HD3 LYS+ 55 - HN LYS+ 81 5.000% * 0.0461% (0.40 1.0 0.02 0.02) = 0.046% HD3 LYS+ 55 - HN THR 106 5.000% * 0.0399% (0.35 1.0 0.02 0.02) = 0.040% HG2 ARG+ 22 - HN THR 106 5.000% * 0.0366% (0.32 1.0 0.02 0.02) = 0.037% HG13 ILE 19 - HN LYS+ 81 5.000% * 0.0350% (0.30 1.0 0.02 0.02) = 0.035% HG13 ILE 19 - HN THR 106 5.000% * 0.0303% (0.26 1.0 0.02 0.02) = 0.030% HG2 PRO 52 - HN LYS+ 81 5.000% * 0.0229% (0.20 1.0 0.02 0.02) = 0.023% HG2 PRO 52 - HN THR 106 5.000% * 0.0198% (0.17 1.0 0.02 0.02) = 0.020% Peak 708 (7.78, 7.79, 118.77 ppm): 1 diagonal assignment: * HN THR 46 - HN THR 46 (0.90) kept Peak 709 (7.31, 7.79, 118.77 ppm): 7 chemical-shift based assignments, quality = 0.81, support = 3.58, residual support = 11.1: * HN VAL 47 - HN THR 46 14.286% * 67.9135% (0.92 4.66 16.21) = 67.913% kept HN ILE 48 - HN THR 46 14.286% * 16.6383% (0.53 2.00 0.22) = 16.638% kept QD PHE 34 - HN THR 46 14.286% * 8.0539% (0.87 0.59 0.34) = 8.054% kept QE PHE 34 - HN THR 46 14.286% * 4.2902% (0.41 0.66 0.34) = 4.290% kept HZ2 TRP 51 - HN THR 46 14.286% * 2.3104% (0.41 0.36 0.02) = 2.310% kept HZ PHE 34 - HN THR 46 14.286% * 0.4952% (0.41 0.08 0.34) = 0.495% HN ARG+ 84 - HN THR 46 14.286% * 0.2985% (0.94 0.02 0.02) = 0.299% Peak 710 (4.51, 7.79, 118.77 ppm): 7 chemical-shift based assignments, quality = 0.839, support = 4.05, residual support = 24.1: * O HB THR 46 - HN THR 46 14.286% * 95.2743% (0.83 10.0 4.21 25.30) = 95.274% kept HA LYS+ 55 - HN THR 46 14.286% * 4.4395% (1.00 1.0 0.78 0.02) = 4.439% kept HB THR 79 - HN THR 46 14.286% * 0.1053% (0.92 1.0 0.02 0.02) = 0.105% HA CYS 123 - HN THR 46 14.286% * 0.0692% (0.61 1.0 0.02 0.02) = 0.069% HA SER 77 - HN THR 46 14.286% * 0.0692% (0.61 1.0 0.02 0.02) = 0.069% HA ALA 103 - HN THR 46 14.286% * 0.0226% (0.20 1.0 0.02 0.31) = 0.023% HA LYS+ 32 - HN THR 46 14.286% * 0.0200% (0.17 1.0 0.02 0.02) = 0.020% Peak 711 (8.21, 7.79, 118.77 ppm): 9 chemical-shift based assignments, quality = 0.948, support = 3.45, residual support = 16.5: * T HN GLU- 45 - HN THR 46 11.111% * 67.4019% (0.99 10.00 4.66 24.18) = 67.402% kept T HN VAL 105 - HN THR 46 11.111% * 28.2108% (0.87 10.00 0.96 0.88) = 28.211% kept HN ALA 11 - HN THR 46 11.111% * 3.7252% (0.96 1.00 1.14 0.16) = 3.725% kept T HN VAL 94 - HN THR 46 11.111% * 0.5680% (0.83 10.00 0.02 0.02) = 0.568% HN ALA 33 - HN THR 46 11.111% * 0.0412% (0.61 1.00 0.02 0.17) = 0.041% HN SER 49 - HN THR 46 11.111% * 0.0210% (0.31 1.00 0.02 0.02) = 0.021% HN GLY 58 - HN THR 46 11.111% * 0.0135% (0.20 1.00 0.02 0.02) = 0.013% HN LEU 67 - HN THR 46 11.111% * 0.0092% (0.14 1.00 0.02 0.02) = 0.009% HN LYS+ 81 - HN THR 46 11.111% * 0.0092% (0.14 1.00 0.02 3.57) = 0.009% Peak 712 (4.10, 7.79, 118.77 ppm): 5 chemical-shift based assignments, quality = 0.649, support = 3.81, residual support = 23.8: * O HA THR 46 - HN THR 46 20.000% * 94.1878% (0.65 10.0 3.99 25.30) = 94.188% kept HB3 SER 49 - HN THR 46 20.000% * 5.3962% (0.75 1.0 0.99 0.02) = 5.396% kept HA LYS+ 63 - HN THR 46 20.000% * 0.1405% (0.96 1.0 0.02 0.02) = 0.141% HA ALA 70 - HN THR 46 20.000% * 0.1377% (0.94 1.0 0.02 0.02) = 0.138% HA THR 24 - HN THR 46 20.000% * 0.1377% (0.94 1.0 0.02 0.02) = 0.138% Peak 713 (2.07, 7.79, 118.77 ppm): 13 chemical-shift based assignments, quality = 0.392, support = 3.51, residual support = 19.1: * HB2 GLU- 45 - HN THR 46 7.692% * 78.8388% (0.31 4.40 24.18) = 78.839% kept HG2 PRO 112 - HN THR 46 7.692% * 12.8214% (0.75 0.29 0.02) = 12.821% kept HB ILE 101 - HN THR 46 7.692% * 1.1590% (1.00 0.02 0.02) = 1.159% kept HB VAL 62 - HN THR 46 7.692% * 1.1210% (0.96 0.02 0.02) = 1.121% kept HB3 LYS+ 120 - HN THR 46 7.692% * 1.1210% (0.96 0.02 0.02) = 1.121% kept HB3 GLU- 75 - HN THR 46 7.692% * 1.0722% (0.92 0.02 0.02) = 1.072% kept HG2 GLN 16 - HN THR 46 7.692% * 1.0076% (0.87 0.02 0.02) = 1.008% kept HD3 LYS+ 110 - HN THR 46 7.692% * 0.7514% (0.65 0.02 0.02) = 0.751% HB2 LYS+ 110 - HN THR 46 7.692% * 0.6576% (0.57 0.02 0.02) = 0.658% HB VAL 125 - HN THR 46 7.692% * 0.5654% (0.49 0.02 0.02) = 0.565% HB2 MET 118 - HN THR 46 7.692% * 0.3962% (0.34 0.02 0.02) = 0.396% HG3 PRO 86 - HN THR 46 7.692% * 0.2586% (0.22 0.02 0.02) = 0.259% HB VAL 65 - HN THR 46 7.692% * 0.2299% (0.20 0.02 0.02) = 0.230% Peak 714 (2.22, 7.79, 118.77 ppm): 14 chemical-shift based assignments, quality = 0.614, support = 3.36, residual support = 16.1: HB3 GLU- 45 - HN THR 46 7.143% * 66.4861% (0.49 4.84 24.18) = 66.486% kept * HB2 GLU- 50 - HN THR 46 7.143% * 17.3485% (1.00 0.62 0.02) = 17.349% kept HG2 PRO 112 - HN THR 46 7.143% * 8.2380% (1.00 0.29 0.02) = 8.238% kept HB2 PRO 52 - HN THR 46 7.143% * 3.9797% (0.90 0.16 0.02) = 3.980% kept HG3 GLU- 18 - HN THR 46 7.143% * 0.5626% (1.00 0.02 0.02) = 0.563% HG3 MET 97 - HN THR 46 7.143% * 0.5442% (0.96 0.02 0.02) = 0.544% HG3 GLN 102 - HN THR 46 7.143% * 0.5442% (0.96 0.02 0.02) = 0.544% HA1 GLY 58 - HN THR 46 7.143% * 0.5442% (0.96 0.02 0.02) = 0.544% HG3 MET 126 - HN THR 46 7.143% * 0.5057% (0.90 0.02 0.02) = 0.506% HG3 GLU- 109 - HN THR 46 7.143% * 0.5057% (0.90 0.02 0.02) = 0.506% HG3 GLN 16 - HN THR 46 7.143% * 0.2318% (0.41 0.02 0.02) = 0.232% HG3 GLU- 10 - HN THR 46 7.143% * 0.2116% (0.37 0.02 0.02) = 0.212% HG2 MET 126 - HN THR 46 7.143% * 0.1568% (0.28 0.02 0.02) = 0.157% HB3 ASN 15 - HN THR 46 7.143% * 0.1406% (0.25 0.02 0.02) = 0.141% Peak 715 (1.31, 7.79, 118.77 ppm): 6 chemical-shift based assignments, quality = 0.75, support = 3.76, residual support = 19.0: * QG2 THR 46 - HN THR 46 16.667% * 74.5279% (0.76 4.77 25.30) = 74.528% kept HB2 LYS+ 55 - HN THR 46 16.667% * 15.2649% (0.73 1.03 0.02) = 15.265% kept QB ALA 103 - HN THR 46 16.667% * 6.6779% (0.94 0.35 0.31) = 6.678% kept HG2 LYS+ 81 - HN THR 46 16.667% * 3.2475% (0.22 0.71 3.57) = 3.248% kept HB2 ARG+ 22 - HN THR 46 16.667% * 0.1681% (0.41 0.02 0.02) = 0.168% HG13 ILE 101 - HN THR 46 16.667% * 0.1137% (0.28 0.02 0.02) = 0.114% Peak 716 (3.87, 7.79, 118.77 ppm): 10 chemical-shift based assignments, quality = 0.984, support = 4.69, residual support = 24.0: * O HA GLU- 45 - HN THR 46 10.000% * 99.3115% (0.99 10.0 4.73 24.18) = 99.311% kept HB3 SER 27 - HN THR 46 10.000% * 0.1000% (1.00 1.0 0.02 0.02) = 0.100% HB3 SER 77 - HN THR 46 10.000% * 0.0948% (0.95 1.0 0.02 0.02) = 0.095% HA2 GLY 114 - HN THR 46 10.000% * 0.0948% (0.95 1.0 0.02 0.02) = 0.095% HB2 SER 85 - HN THR 46 10.000% * 0.0925% (0.92 1.0 0.02 0.02) = 0.092% HB3 SER 88 - HN THR 46 10.000% * 0.0899% (0.90 1.0 0.02 0.02) = 0.090% HD3 PRO 35 - HN THR 46 10.000% * 0.0728% (0.73 1.0 0.02 0.02) = 0.073% HD2 PRO 116 - HN THR 46 10.000% * 0.0648% (0.65 1.0 0.02 0.02) = 0.065% HD2 PRO 86 - HN THR 46 10.000% * 0.0567% (0.57 1.0 0.02 0.02) = 0.057% HA LYS+ 117 - HN THR 46 10.000% * 0.0223% (0.22 1.0 0.02 0.02) = 0.022% Peak 717 (3.70, 8.24, 118.99 ppm): 6 chemical-shift based assignments, quality = 0.865, support = 4.68, residual support = 44.3: * O HA LYS+ 81 - HN LYS+ 81 16.667% * 84.8621% (0.88 10.0 5.02 51.84) = 84.862% kept HA LYS+ 81 - HN THR 106 16.667% * 12.0273% (0.77 1.0 3.25 2.05) = 12.027% kept HB3 SER 69 - HN LYS+ 81 16.667% * 2.8868% (0.79 1.0 0.76 0.43) = 2.887% kept HB2 TRP 51 - HN LYS+ 81 16.667% * 0.0841% (0.88 1.0 0.02 0.02) = 0.084% HB2 TRP 51 - HN THR 106 16.667% * 0.0733% (0.76 1.0 0.02 0.02) = 0.073% HB3 SER 69 - HN THR 106 16.667% * 0.0663% (0.69 1.0 0.02 0.02) = 0.066% Peak 718 (1.62, 8.24, 118.99 ppm): 20 chemical-shift based assignments, quality = 0.688, support = 0.541, residual support = 0.0657: HG LEU 23 - HN LYS+ 81 5.000% * 17.3769% (0.74 0.71 0.29) = 17.377% kept HG3 LYS+ 78 - HN LYS+ 81 5.000% * 16.5266% (0.88 0.57 0.02) = 16.527% kept HG LEU 43 - HN LYS+ 81 5.000% * 16.3510% (0.82 0.61 0.02) = 16.351% kept HG12 ILE 101 - HN LYS+ 81 5.000% * 13.6141% (0.79 0.52 0.02) = 13.614% kept HD3 LYS+ 32 - HN LYS+ 81 5.000% * 8.7998% (0.43 0.62 0.02) = 8.800% kept HG2 LYS+ 110 - HN LYS+ 81 5.000% * 7.8087% (0.71 0.33 0.02) = 7.809% kept HB ILE 68 - HN THR 106 5.000% * 6.7021% (0.71 0.28 0.02) = 6.702% kept HG2 ARG+ 22 - HN LYS+ 81 5.000% * 6.2056% (0.22 0.85 0.02) = 6.206% kept HB VAL 122 - HN LYS+ 81 5.000% * 2.2495% (0.82 0.08 0.02) = 2.250% kept HB ILE 68 - HN LYS+ 81 5.000% * 0.5401% (0.82 0.02 0.02) = 0.540% HG3 LYS+ 78 - HN THR 106 5.000% * 0.5088% (0.77 0.02 0.02) = 0.509% HB VAL 122 - HN THR 106 5.000% * 0.4707% (0.71 0.02 0.02) = 0.471% HG LEU 43 - HN THR 106 5.000% * 0.4707% (0.71 0.02 0.02) = 0.471% HG12 ILE 101 - HN THR 106 5.000% * 0.4573% (0.69 0.02 0.02) = 0.457% HG LEU 23 - HN THR 106 5.000% * 0.4259% (0.64 0.02 0.02) = 0.426% HG2 LYS+ 110 - HN THR 106 5.000% * 0.4083% (0.62 0.02 0.02) = 0.408% HB3 PRO 52 - HN LYS+ 81 5.000% * 0.3785% (0.57 0.02 0.02) = 0.378% HB3 PRO 52 - HN THR 106 5.000% * 0.3299% (0.50 0.02 0.02) = 0.330% HD3 LYS+ 32 - HN THR 106 5.000% * 0.2482% (0.37 0.02 0.02) = 0.248% HG2 ARG+ 22 - HN THR 106 5.000% * 0.1272% (0.19 0.02 0.02) = 0.127% Peak 719 (7.54, 8.24, 118.99 ppm): 6 chemical-shift based assignments, quality = 0.643, support = 3.36, residual support = 11.1: * T HN ASP- 82 - HN LYS+ 81 16.667% * 63.1869% (0.68 10.00 4.54 17.12) = 63.187% kept T HN ASP- 82 - HN THR 106 16.667% * 36.7589% (0.59 10.00 1.33 0.69) = 36.759% kept HD22 ASN 119 - HN LYS+ 81 16.667% * 0.0145% (0.15 1.00 0.02 0.02) = 0.014% HN VAL 65 - HN LYS+ 81 16.667% * 0.0145% (0.15 1.00 0.02 0.02) = 0.014% HD22 ASN 119 - HN THR 106 16.667% * 0.0126% (0.13 1.00 0.02 0.02) = 0.013% HN VAL 65 - HN THR 106 16.667% * 0.0126% (0.13 1.00 0.02 0.02) = 0.013% Peak 720 (8.57, 8.24, 118.99 ppm): 6 chemical-shift based assignments, quality = 0.493, support = 2.71, residual support = 6.43: * T HN VAL 80 - HN LYS+ 81 16.667% * 63.0064% (0.50 10.00 3.71 9.98) = 63.006% kept T HN VAL 80 - HN THR 106 16.667% * 30.8069% (0.47 10.00 1.04 0.30) = 30.807% kept HN VAL 73 - HN LYS+ 81 16.667% * 3.9131% (0.64 1.00 0.97 1.31) = 3.913% kept HN VAL 73 - HN THR 106 16.667% * 2.1600% (0.60 1.00 0.57 0.11) = 2.160% kept HN THR 39 - HN LYS+ 81 16.667% * 0.0586% (0.46 1.00 0.02 0.02) = 0.059% HN THR 39 - HN THR 106 16.667% * 0.0550% (0.43 1.00 0.02 0.02) = 0.055% Peak 725 (7.20, 8.34, 118.74 ppm): 2 chemical-shift based assignments, quality = 0.913, support = 3.91, residual support = 13.5: * HN TRP 51 - HN GLU- 50 50.000% * 74.9931% (0.91 4.69 13.47) = 74.993% kept HH2 TRP 51 - HN GLU- 50 50.000% * 25.0069% (0.91 1.56 13.47) = 25.007% kept Peak 726 (2.35, 8.34, 118.74 ppm): 7 chemical-shift based assignments, quality = 0.593, support = 4.48, residual support = 21.5: O HB3 GLU- 50 - HN GLU- 50 14.286% * 57.7176% (0.37 10.0 4.23 22.41) = 57.718% kept * HG3 GLU- 50 - HN GLU- 50 14.286% * 38.3711% (0.94 1.0 5.28 22.41) = 38.371% kept HG3 GLU- 56 - HN GLU- 50 14.286% * 2.9470% (0.68 1.0 0.56 0.47) = 2.947% kept HG2 PRO 112 - HN GLU- 50 14.286% * 0.7529% (0.79 1.0 0.12 0.02) = 0.753% HB2 GLU- 64 - HN GLU- 50 14.286% * 0.1534% (0.99 1.0 0.02 0.02) = 0.153% HB2 TYR 83 - HN GLU- 50 14.286% * 0.0342% (0.22 1.0 0.02 0.02) = 0.034% HB2 LYS+ 78 - HN GLU- 50 14.286% * 0.0237% (0.15 1.0 0.02 0.02) = 0.024% Peak 727 (1.71, 8.34, 118.74 ppm): 4 chemical-shift based assignments, quality = 0.723, support = 1.35, residual support = 0.683: HB2 GLN 16 - HN GLU- 50 25.000% * 64.9571% (0.92 1.26 0.90) = 64.957% kept HG2 PRO 52 - HN GLU- 50 25.000% * 33.2758% (0.37 1.59 0.30) = 33.276% kept HD3 LYS+ 55 - HN GLU- 50 25.000% * 1.4882% (0.17 0.15 0.02) = 1.488% kept HG13 ILE 19 - HN GLU- 50 25.000% * 0.2789% (0.25 0.02 0.02) = 0.279% Reference assignment not found: HB3 GLU- 50 - HN GLU- 50 Peak 728 (2.22, 8.34, 118.74 ppm): 14 chemical-shift based assignments, quality = 0.963, support = 4.14, residual support = 19.6: O HB2 GLU- 50 - HN GLU- 50 7.143% * 87.1940% (0.99 10.0 4.57 22.41) = 87.194% kept HB2 PRO 52 - HN GLU- 50 7.143% * 5.6029% (0.86 1.0 1.48 0.30) = 5.603% kept HA1 GLY 58 - HN GLU- 50 7.143% * 4.9474% (0.97 1.0 1.16 0.02) = 4.947% kept HG3 GLN 16 - HN GLU- 50 7.143% * 1.1947% (0.37 1.0 0.73 0.90) = 1.195% kept HG2 PRO 112 - HN GLU- 50 7.143% * 0.5355% (0.99 1.0 0.12 0.02) = 0.535% HG3 GLU- 18 - HN GLU- 50 7.143% * 0.0864% (0.98 1.0 0.02 0.02) = 0.086% HG3 MET 97 - HN GLU- 50 7.143% * 0.0855% (0.97 1.0 0.02 0.02) = 0.085% HG3 GLN 102 - HN GLU- 50 7.143% * 0.0825% (0.94 1.0 0.02 0.02) = 0.082% HG3 MET 126 - HN GLU- 50 7.143% * 0.0805% (0.91 1.0 0.02 0.02) = 0.080% HG3 GLU- 109 - HN GLU- 50 7.143% * 0.0756% (0.86 1.0 0.02 0.02) = 0.076% HB3 GLU- 45 - HN GLU- 50 7.143% * 0.0391% (0.44 1.0 0.02 0.02) = 0.039% HG3 GLU- 10 - HN GLU- 50 7.143% * 0.0297% (0.34 1.0 0.02 0.02) = 0.030% HG2 MET 126 - HN GLU- 50 7.143% * 0.0269% (0.31 1.0 0.02 0.02) = 0.027% HB3 ASN 15 - HN GLU- 50 7.143% * 0.0194% (0.22 1.0 0.02 0.02) = 0.019% Peak 729 (4.46, 8.34, 118.74 ppm): 8 chemical-shift based assignments, quality = 0.951, support = 4.88, residual support = 22.3: * O HA GLU- 50 - HN GLU- 50 12.500% * 99.6050% (0.95 10.0 4.90 22.41) = 99.605% kept HA MET 118 - HN GLU- 50 12.500% * 0.0862% (0.83 1.0 0.02 0.02) = 0.086% HA GLN 102 - HN GLU- 50 12.500% * 0.0826% (0.79 1.0 0.02 0.02) = 0.083% HA ILE 100 - HN GLU- 50 12.500% * 0.0826% (0.79 1.0 0.02 1.00) = 0.083% HA MET 126 - HN GLU- 50 12.500% * 0.0626% (0.60 1.0 0.02 0.02) = 0.063% HA LYS+ 32 - HN GLU- 50 12.500% * 0.0424% (0.41 1.0 0.02 0.02) = 0.042% HB THR 24 - HN GLU- 50 12.500% * 0.0204% (0.20 1.0 0.02 0.02) = 0.020% HA LYS+ 111 - HN GLU- 50 12.500% * 0.0181% (0.17 1.0 0.02 0.02) = 0.018% Peak 730 (3.96, 8.34, 118.74 ppm): 3 chemical-shift based assignments, quality = 0.484, support = 1.22, residual support = 1.35: HA LEU 74 - HN GLU- 50 33.333% * 62.9197% (0.44 1.53 2.02) = 62.920% kept HA1 GLY 114 - HN GLU- 50 33.333% * 36.5709% (0.56 0.71 0.21) = 36.571% kept HA1 GLY 92 - HN GLU- 50 33.333% * 0.5094% (0.27 0.02 0.02) = 0.509% Peak 731 (8.33, 8.34, 118.74 ppm): 1 diagonal assignment: * HN GLU- 50 - HN GLU- 50 (0.83) kept Peak 732 (4.07, 8.34, 118.74 ppm): 6 chemical-shift based assignments, quality = 0.798, support = 3.12, residual support = 17.6: HB2 SER 49 - HN GLU- 50 16.667% * 66.5362% (0.97 3.16 17.78) = 66.536% kept * HB3 SER 49 - HN GLU- 50 16.667% * 32.4551% (0.47 3.16 17.78) = 32.455% kept HA VAL 125 - HN GLU- 50 16.667% * 0.4069% (0.94 0.02 0.02) = 0.407% HB THR 38 - HN GLU- 50 16.667% * 0.3593% (0.83 0.02 0.02) = 0.359% HB3 SER 85 - HN GLU- 50 16.667% * 0.1467% (0.34 0.02 0.02) = 0.147% HA THR 24 - HN GLU- 50 16.667% * 0.0958% (0.22 0.02 0.02) = 0.096% Peak 733 (1.52, 8.24, 118.79 ppm): 9 chemical-shift based assignments, quality = 0.606, support = 0.611, residual support = 0.227: HG3 LYS+ 72 - HN LYS+ 81 11.111% * 42.6235% (0.77 0.78 0.23) = 42.623% kept HG3 LYS+ 72 - HN THR 106 11.111% * 19.7877% (0.49 0.57 0.24) = 19.788% kept HB2 LYS+ 72 - HN THR 106 11.111% * 17.8565% (0.43 0.58 0.24) = 17.857% kept HB2 LYS+ 72 - HN LYS+ 81 11.111% * 15.4174% (0.68 0.32 0.23) = 15.417% kept HG3 LYS+ 72 - HN GLU- 45 11.111% * 1.5704% (0.05 0.43 0.02) = 1.570% kept HB2 LYS+ 72 - HN GLU- 45 11.111% * 1.3571% (0.04 0.43 0.02) = 1.357% kept HD3 LYS+ 108 - HN LYS+ 81 11.111% * 0.8140% (0.57 0.02 0.02) = 0.814% HD3 LYS+ 108 - HN THR 106 11.111% * 0.5194% (0.36 0.02 0.02) = 0.519% HD3 LYS+ 108 - HN GLU- 45 11.111% * 0.0540% (0.04 0.02 0.60) = 0.054% Peak 734 (4.50, 8.23, 118.79 ppm): 27 chemical-shift based assignments, quality = 0.594, support = 1.79, residual support = 1.93: * HB THR 79 - HN LYS+ 81 3.704% * 55.1596% (0.79 2.28 1.01) = 55.160% kept HB THR 46 - HN LYS+ 81 3.704% * 18.9327% (0.32 1.92 3.57) = 18.933% kept HA LYS+ 32 - HN LYS+ 81 3.704% * 7.7361% (0.49 0.52 0.02) = 7.736% kept HA LYS+ 55 - HN LYS+ 81 3.704% * 6.1054% (0.59 0.34 0.02) = 6.105% kept HB THR 79 - HN THR 106 3.704% * 4.6953% (0.40 0.38 0.02) = 4.695% kept HB THR 46 - HN GLU- 45 3.704% * 2.8737% (0.03 2.89 24.18) = 2.874% kept HB THR 46 - HN THR 106 3.704% * 1.6953% (0.16 0.34 0.02) = 1.695% kept HA SER 77 - HN LYS+ 81 3.704% * 0.5146% (0.84 0.02 0.02) = 0.515% HA CYS 123 - HN LYS+ 81 3.704% * 0.5146% (0.84 0.02 0.02) = 0.515% HA CYS 123 - HN THR 106 3.704% * 0.2622% (0.43 0.02 0.02) = 0.262% HA SER 77 - HN THR 106 3.704% * 0.2622% (0.43 0.02 0.02) = 0.262% HA MET 126 - HN LYS+ 81 3.704% * 0.1971% (0.32 0.02 0.02) = 0.197% HA LYS+ 55 - HN THR 106 3.704% * 0.1838% (0.30 0.02 0.02) = 0.184% HA LYS+ 32 - HN THR 106 3.704% * 0.1515% (0.25 0.02 0.02) = 0.151% HA GLN 102 - HN LYS+ 81 3.704% * 0.1169% (0.19 0.02 0.02) = 0.117% HA ILE 100 - HN LYS+ 81 3.704% * 0.1169% (0.19 0.02 0.02) = 0.117% HA MET 126 - HN THR 106 3.704% * 0.1004% (0.16 0.02 0.02) = 0.100% HA GLN 102 - HN THR 106 3.704% * 0.0596% (0.10 0.02 0.02) = 0.060% HA ILE 100 - HN THR 106 3.704% * 0.0596% (0.10 0.02 0.02) = 0.060% HA CYS 123 - HN GLU- 45 3.704% * 0.0519% (0.08 0.02 0.02) = 0.052% HA SER 77 - HN GLU- 45 3.704% * 0.0519% (0.08 0.02 0.02) = 0.052% HB THR 79 - HN GLU- 45 3.704% * 0.0489% (0.08 0.02 0.02) = 0.049% HA LYS+ 55 - HN GLU- 45 3.704% * 0.0364% (0.06 0.02 0.02) = 0.036% HA LYS+ 32 - HN GLU- 45 3.704% * 0.0300% (0.05 0.02 0.02) = 0.030% HA MET 126 - HN GLU- 45 3.704% * 0.0199% (0.03 0.02 0.02) = 0.020% HA GLN 102 - HN GLU- 45 3.704% * 0.0118% (0.02 0.02 0.02) = 0.012% HA ILE 100 - HN GLU- 45 3.704% * 0.0118% (0.02 0.02 0.02) = 0.012% Peak 735 (2.25, 8.24, 118.79 ppm): 48 chemical-shift based assignments, quality = 0.417, support = 2.78, residual support = 15.8: * HB VAL 80 - HN LYS+ 81 2.083% * 27.5569% (0.36 1.0 4.48 9.98) = 27.557% kept HG3 GLU- 107 - HN THR 106 2.083% * 17.3683% (0.47 1.0 2.18 6.73) = 17.368% kept O HB3 GLU- 45 - HN GLU- 45 2.083% * 15.8919% (0.05 10.0 5.89 73.84) = 15.892% kept HB3 GLU- 45 - HN LYS+ 81 2.083% * 12.0476% (0.71 1.0 1.01 0.23) = 12.048% kept HB3 ASN 15 - HN LYS+ 81 2.083% * 7.2008% (0.87 1.0 0.49 0.82) = 7.201% kept HB3 ASN 15 - HN THR 106 2.083% * 5.3084% (0.55 1.0 0.57 1.30) = 5.308% kept HG3 GLN 16 - HN LYS+ 81 2.083% * 3.1771% (0.77 1.0 0.24 0.02) = 3.177% kept HB3 GLU- 45 - HN THR 106 2.083% * 2.8119% (0.45 1.0 0.37 0.02) = 2.812% kept HB VAL 80 - HN THR 106 2.083% * 2.8058% (0.23 1.0 0.71 0.30) = 2.806% kept HG3 GLN 16 - HN THR 106 2.083% * 1.4855% (0.49 1.0 0.18 0.23) = 1.486% kept HG2 PRO 112 - HN GLU- 45 2.083% * 0.9537% (0.06 1.0 0.97 0.28) = 0.954% HG3 GLU- 109 - HN LYS+ 81 2.083% * 0.5921% (0.33 1.0 0.11 0.02) = 0.592% HG2 PRO 112 - HN LYS+ 81 2.083% * 0.2966% (0.88 1.0 0.02 0.02) = 0.297% HG3 GLU- 10 - HN LYS+ 81 2.083% * 0.2685% (0.79 1.0 0.02 0.02) = 0.268% HG3 GLU- 107 - HN LYS+ 81 2.083% * 0.2500% (0.74 1.0 0.02 0.02) = 0.250% HG3 GLU- 54 - HN LYS+ 81 2.083% * 0.2288% (0.68 1.0 0.02 0.02) = 0.229% HG2 PRO 112 - HN THR 106 2.083% * 0.1893% (0.56 1.0 0.02 0.02) = 0.189% HG3 GLU- 10 - HN THR 106 2.083% * 0.1713% (0.51 1.0 0.02 0.02) = 0.171% HG3 GLU- 54 - HN THR 106 2.083% * 0.1460% (0.43 1.0 0.02 0.02) = 0.146% HB2 PRO 52 - HN LYS+ 81 2.083% * 0.1123% (0.33 1.0 0.02 0.02) = 0.112% HB3 LYS+ 117 - HN LYS+ 81 2.083% * 0.1021% (0.30 1.0 0.02 0.02) = 0.102% HG3 GLU- 75 - HN LYS+ 81 2.083% * 0.1021% (0.30 1.0 0.02 0.02) = 0.102% HG3 GLN 102 - HN LYS+ 81 2.083% * 0.0832% (0.25 1.0 0.02 0.02) = 0.083% HG3 GLN 16 - HN GLU- 45 2.083% * 0.0788% (0.05 1.0 0.09 0.02) = 0.079% HB3 PRO 112 - HN LYS+ 81 2.083% * 0.0733% (0.22 1.0 0.02 0.02) = 0.073% HG3 GLU- 109 - HN THR 106 2.083% * 0.0717% (0.21 1.0 0.02 0.02) = 0.072% HB2 PRO 52 - HN THR 106 2.083% * 0.0717% (0.21 1.0 0.02 0.02) = 0.072% HG3 GLU- 75 - HN THR 106 2.083% * 0.0652% (0.19 1.0 0.02 0.02) = 0.065% HB3 LYS+ 117 - HN THR 106 2.083% * 0.0652% (0.19 1.0 0.02 0.02) = 0.065% HG3 GLU- 18 - HN LYS+ 81 2.083% * 0.0592% (0.17 1.0 0.02 0.02) = 0.059% HG3 GLN 102 - HN THR 106 2.083% * 0.0531% (0.16 1.0 0.02 0.02) = 0.053% HB3 PRO 112 - HN THR 106 2.083% * 0.0468% (0.14 1.0 0.02 0.02) = 0.047% HB2 GLU- 50 - HN LYS+ 81 2.083% * 0.0462% (0.14 1.0 0.02 0.02) = 0.046% HG3 GLU- 18 - HN THR 106 2.083% * 0.0378% (0.11 1.0 0.02 0.02) = 0.038% HB3 LYS+ 117 - HN GLU- 45 2.083% * 0.0352% (0.02 1.0 0.10 0.02) = 0.035% HB2 GLU- 50 - HN THR 106 2.083% * 0.0295% (0.09 1.0 0.02 0.02) = 0.029% HB3 ASN 15 - HN GLU- 45 2.083% * 0.0195% (0.06 1.0 0.02 0.02) = 0.019% HG3 GLU- 10 - HN GLU- 45 2.083% * 0.0178% (0.05 1.0 0.02 0.85) = 0.018% HG3 GLU- 107 - HN GLU- 45 2.083% * 0.0166% (0.05 1.0 0.02 0.02) = 0.017% HG3 GLU- 54 - HN GLU- 45 2.083% * 0.0152% (0.04 1.0 0.02 0.02) = 0.015% HB VAL 80 - HN GLU- 45 2.083% * 0.0082% (0.02 1.0 0.02 0.02) = 0.008% HB2 PRO 52 - HN GLU- 45 2.083% * 0.0074% (0.02 1.0 0.02 0.02) = 0.007% HG3 GLU- 109 - HN GLU- 45 2.083% * 0.0074% (0.02 1.0 0.02 0.02) = 0.007% HG3 GLU- 75 - HN GLU- 45 2.083% * 0.0068% (0.02 1.0 0.02 0.11) = 0.007% HG3 GLN 102 - HN GLU- 45 2.083% * 0.0055% (0.02 1.0 0.02 0.02) = 0.006% HB3 PRO 112 - HN GLU- 45 2.083% * 0.0049% (0.01 1.0 0.02 0.28) = 0.005% HG3 GLU- 18 - HN GLU- 45 2.083% * 0.0039% (0.01 1.0 0.02 0.02) = 0.004% HB2 GLU- 50 - HN GLU- 45 2.083% * 0.0031% (0.01 1.0 0.02 0.02) = 0.003% Peak 737 (2.48, 8.24, 118.79 ppm): 15 chemical-shift based assignments, quality = 0.378, support = 1.44, residual support = 16.0: HG3 MET 118 - HN LYS+ 81 6.667% * 27.6580% (0.64 0.33 0.02) = 27.658% kept HG3 GLU- 45 - HN LYS+ 81 6.667% * 23.1861% (0.46 0.39 0.23) = 23.186% kept HG3 GLU- 45 - HN GLU- 45 6.667% * 21.5432% (0.03 5.41 73.84) = 21.543% kept HG3 GLU- 45 - HN THR 106 6.667% * 15.5651% (0.30 0.41 0.02) = 15.565% kept HG2 PRO 112 - HN GLU- 45 6.667% * 3.1861% (0.03 0.97 0.28) = 3.186% kept HB VAL 40 - HN LYS+ 81 6.667% * 1.9056% (0.74 0.02 0.02) = 1.906% kept HG3 PRO 35 - HN LYS+ 81 6.667% * 1.6566% (0.64 0.02 0.02) = 1.657% kept HB VAL 40 - HN THR 106 6.667% * 1.2159% (0.47 0.02 0.02) = 1.216% kept HG3 PRO 35 - HN THR 106 6.667% * 1.0571% (0.41 0.02 0.02) = 1.057% kept HG3 MET 118 - HN THR 106 6.667% * 1.0571% (0.41 0.02 0.02) = 1.057% kept HG2 PRO 112 - HN LYS+ 81 6.667% * 0.9909% (0.38 0.02 0.02) = 0.991% HG2 PRO 112 - HN THR 106 6.667% * 0.6323% (0.24 0.02 0.02) = 0.632% HB VAL 40 - HN GLU- 45 6.667% * 0.1263% (0.05 0.02 0.02) = 0.126% HG3 PRO 35 - HN GLU- 45 6.667% * 0.1098% (0.04 0.02 0.02) = 0.110% HG3 MET 118 - HN GLU- 45 6.667% * 0.1098% (0.04 0.02 0.02) = 0.110% Peak 739 (0.94, 8.25, 118.79 ppm): 20 chemical-shift based assignments, quality = 0.589, support = 2.05, residual support = 3.46: QG1 VAL 105 - HN THR 106 5.000% * 21.4681% (0.72 2.62 4.01) = 21.468% kept * QG2 VAL 105 - HN THR 106 5.000% * 19.4315% (0.71 2.39 4.01) = 19.432% kept QG2 VAL 80 - HN LYS+ 81 5.000% * 16.1735% (0.42 3.42 9.98) = 16.174% kept QG2 VAL 73 - HN LYS+ 81 5.000% * 10.4486% (0.47 1.97 1.31) = 10.449% kept QG1 VAL 105 - HN LYS+ 81 5.000% * 6.5898% (0.64 0.90 0.31) = 6.590% kept QG2 VAL 105 - HN LYS+ 81 5.000% * 6.4485% (0.64 0.89 0.31) = 6.448% kept QG2 VAL 62 - HN LYS+ 81 5.000% * 5.4384% (0.54 0.89 0.12) = 5.438% kept QG2 VAL 80 - HN THR 106 5.000% * 5.0318% (0.47 0.95 0.30) = 5.032% kept HG12 ILE 68 - HN THR 106 5.000% * 3.9492% (0.60 0.58 0.02) = 3.949% kept QG2 VAL 73 - HN THR 106 5.000% * 3.9060% (0.52 0.66 0.11) = 3.906% kept QD1 LEU 17 - HN THR 106 5.000% * 0.1635% (0.72 0.02 0.02) = 0.163% QD1 LEU 17 - HN LYS+ 81 5.000% * 0.1460% (0.64 0.02 0.02) = 0.146% QG2 VAL 62 - HN THR 106 5.000% * 0.1369% (0.60 0.02 0.02) = 0.137% HG3 LYS+ 110 - HN THR 106 5.000% * 0.1252% (0.55 0.02 0.02) = 0.125% HG12 ILE 68 - HN LYS+ 81 5.000% * 0.1222% (0.54 0.02 0.02) = 0.122% QG2 ILE 29 - HN THR 106 5.000% * 0.1126% (0.49 0.02 0.02) = 0.113% HG3 LYS+ 110 - HN LYS+ 81 5.000% * 0.1118% (0.49 0.02 0.02) = 0.112% QG2 ILE 29 - HN LYS+ 81 5.000% * 0.1005% (0.44 0.02 0.02) = 0.101% QG2 VAL 99 - HN THR 106 5.000% * 0.0506% (0.22 0.02 0.02) = 0.051% QG2 VAL 99 - HN LYS+ 81 5.000% * 0.0452% (0.20 0.02 0.36) = 0.045% Peak 741 (7.56, 7.57, 118.56 ppm): 1 diagonal assignment: * HN VAL 65 - HN VAL 65 (0.94) kept Peak 742 (0.70, 7.57, 118.56 ppm): 12 chemical-shift based assignments, quality = 0.877, support = 3.77, residual support = 22.1: QG1 VAL 65 - HN VAL 65 8.333% * 61.1097% (0.98 4.89 29.62) = 61.110% kept QG2 ILE 101 - HN VAL 65 8.333% * 14.7124% (1.00 1.16 5.65) = 14.712% kept * QG2 VAL 65 - HN VAL 65 8.333% * 10.3295% (0.15 5.25 29.62) = 10.329% kept QG2 ILE 48 - HN VAL 65 8.333% * 7.1602% (0.93 0.60 1.26) = 7.160% kept QG2 THR 96 - HN VAL 65 8.333% * 4.7925% (0.99 0.38 0.02) = 4.793% kept QD1 ILE 68 - HN VAL 65 8.333% * 1.1374% (0.20 0.45 1.17) = 1.137% kept HG LEU 74 - HN VAL 65 8.333% * 0.1546% (0.61 0.02 0.02) = 0.155% QD1 ILE 19 - HN VAL 65 8.333% * 0.1546% (0.61 0.02 0.02) = 0.155% QG2 VAL 94 - HN VAL 65 8.333% * 0.1341% (0.53 0.02 0.02) = 0.134% QG2 ILE 68 - HN VAL 65 8.333% * 0.1341% (0.53 0.02 1.17) = 0.134% HG12 ILE 19 - HN VAL 65 8.333% * 0.1241% (0.49 0.02 0.02) = 0.124% QG1 VAL 40 - HN VAL 65 8.333% * 0.0567% (0.22 0.02 0.02) = 0.057% Peak 743 (2.00, 7.57, 118.56 ppm): 17 chemical-shift based assignments, quality = 0.342, support = 3.2, residual support = 17.3: HB3 GLU- 64 - HN VAL 65 5.882% * 65.2129% (0.22 4.77 26.51) = 65.213% kept HG3 PRO 112 - HN VAL 65 5.882% * 15.9757% (0.76 0.34 0.02) = 15.976% kept HG2 PRO 112 - HN VAL 65 5.882% * 10.2659% (0.53 0.31 0.02) = 10.266% kept HB3 GLU- 75 - HN VAL 65 5.882% * 1.1502% (0.24 0.08 0.02) = 1.150% kept HB2 HIS+ 14 - HN VAL 65 5.882% * 1.0248% (0.83 0.02 0.02) = 1.025% kept HB3 MET 118 - HN VAL 65 5.882% * 1.0248% (0.83 0.02 0.02) = 1.025% kept HB2 GLU- 18 - HN VAL 65 5.882% * 0.8910% (0.73 0.02 0.02) = 0.891% HB2 LYS+ 108 - HN VAL 65 5.882% * 0.8910% (0.73 0.02 0.02) = 0.891% HB2 PRO 86 - HN VAL 65 5.882% * 0.6455% (0.53 0.02 0.02) = 0.646% HG2 PRO 116 - HN VAL 65 5.882% * 0.5972% (0.49 0.02 0.02) = 0.597% HB3 GLU- 107 - HN VAL 65 5.882% * 0.5501% (0.45 0.02 0.02) = 0.550% HB3 GLU- 56 - HN VAL 65 5.882% * 0.4185% (0.34 0.02 0.02) = 0.419% HB3 PRO 31 - HN VAL 65 5.882% * 0.3411% (0.28 0.02 0.02) = 0.341% HG3 PRO 104 - HN VAL 65 5.882% * 0.3059% (0.25 0.02 0.02) = 0.306% HB3 GLU- 10 - HN VAL 65 5.882% * 0.2732% (0.22 0.02 0.02) = 0.273% HB VAL 73 - HN VAL 65 5.882% * 0.2428% (0.20 0.02 0.02) = 0.243% HB3 GLU- 54 - HN VAL 65 5.882% * 0.1893% (0.15 0.02 0.02) = 0.189% Peak 744 (7.39, 7.57, 118.56 ppm): 2 chemical-shift based assignments, quality = 0.922, support = 4.84, residual support = 26.5: * T HN GLU- 64 - HN VAL 65 50.000% * 99.9786% (0.92 10.00 4.84 26.51) = 99.979% kept HE22 GLN 102 - HN VAL 65 50.000% * 0.0214% (0.20 1.00 0.02 0.64) = 0.021% Peak 745 (4.19, 7.57, 118.56 ppm): 5 chemical-shift based assignments, quality = 0.688, support = 4.52, residual support = 28.6: * O HA VAL 65 - HN VAL 65 20.000% * 96.6124% (0.69 10.0 4.66 29.62) = 96.612% kept HB3 SER 49 - HN VAL 65 20.000% * 3.1611% (0.79 1.0 0.57 0.10) = 3.161% kept HA ASP- 82 - HN VAL 65 20.000% * 0.1021% (0.73 1.0 0.02 0.02) = 0.102% HA VAL 73 - HN VAL 65 20.000% * 0.0853% (0.61 1.0 0.02 0.02) = 0.085% HA GLU- 12 - HN VAL 65 20.000% * 0.0391% (0.28 1.0 0.02 0.02) = 0.039% Peak 746 (4.24, 7.57, 118.56 ppm): 16 chemical-shift based assignments, quality = 0.333, support = 4.3, residual support = 25.0: * O HA GLU- 64 - HN VAL 65 6.250% * 94.2108% (0.34 10.0 4.55 26.51) = 94.211% kept HB3 SER 49 - HN VAL 65 6.250% * 3.0308% (0.39 1.0 0.57 0.10) = 3.031% kept HA GLU- 54 - HN VAL 65 6.250% * 0.2707% (0.98 1.0 0.02 0.02) = 0.271% HA GLU- 10 - HN VAL 65 6.250% * 0.2707% (0.98 1.0 0.02 0.02) = 0.271% HA LYS+ 108 - HN VAL 65 6.250% * 0.2707% (0.98 1.0 0.02 0.02) = 0.271% HA PRO 59 - HN VAL 65 6.250% * 0.2665% (0.96 1.0 0.02 0.02) = 0.267% HA ALA 42 - HN VAL 65 6.250% * 0.2396% (0.87 1.0 0.02 0.02) = 0.240% HA SER 49 - HN VAL 65 6.250% * 0.2212% (0.80 1.0 0.02 0.10) = 0.221% HA ALA 11 - HN VAL 65 6.250% * 0.2212% (0.80 1.0 0.02 0.02) = 0.221% HA ASN 76 - HN VAL 65 6.250% * 0.2006% (0.73 1.0 0.02 0.02) = 0.201% HA GLU- 107 - HN VAL 65 6.250% * 0.1897% (0.69 1.0 0.02 0.02) = 0.190% HA ASN 119 - HN VAL 65 6.250% * 0.1897% (0.69 1.0 0.02 0.02) = 0.190% HA GLU- 109 - HN VAL 65 6.250% * 0.1675% (0.61 1.0 0.02 0.02) = 0.168% HA GLU- 75 - HN VAL 65 6.250% * 0.1037% (0.37 1.0 0.02 0.02) = 0.104% HA GLU- 12 - HN VAL 65 6.250% * 0.0852% (0.31 1.0 0.02 0.02) = 0.085% HA GLU- 56 - HN VAL 65 6.250% * 0.0615% (0.22 1.0 0.02 0.02) = 0.061% Peak 747 (2.10, 7.57, 118.56 ppm): 15 chemical-shift based assignments, quality = 0.987, support = 3.73, residual support = 28.9: * O HB VAL 65 - HN VAL 65 6.667% * 97.7283% (1.00 10.0 3.81 29.62) = 97.728% kept HG2 PRO 112 - HN VAL 65 6.667% * 1.2696% (0.83 1.0 0.31 0.02) = 1.270% kept HB3 GLU- 75 - HN VAL 65 6.667% * 0.3792% (1.00 1.0 0.08 0.02) = 0.379% HB2 MET 118 - HN VAL 65 6.667% * 0.0924% (0.94 1.0 0.02 0.02) = 0.092% HB VAL 125 - HN VAL 65 6.667% * 0.0816% (0.83 1.0 0.02 0.02) = 0.082% HB2 LYS+ 110 - HN VAL 65 6.667% * 0.0747% (0.76 1.0 0.02 0.02) = 0.075% HB3 LEU 43 - HN VAL 65 6.667% * 0.0747% (0.76 1.0 0.02 0.02) = 0.075% HD3 LYS+ 110 - HN VAL 65 6.667% * 0.0671% (0.69 1.0 0.02 0.02) = 0.067% HB VAL 87 - HN VAL 65 6.667% * 0.0514% (0.53 1.0 0.02 0.02) = 0.051% HB2 GLU- 56 - HN VAL 65 6.667% * 0.0476% (0.49 1.0 0.02 0.02) = 0.048% HG2 GLN 16 - HN VAL 65 6.667% * 0.0438% (0.45 1.0 0.02 0.02) = 0.044% HB3 LYS+ 120 - HN VAL 65 6.667% * 0.0302% (0.31 1.0 0.02 0.02) = 0.030% HB VAL 105 - HN VAL 65 6.667% * 0.0272% (0.28 1.0 0.02 0.02) = 0.027% HB ILE 101 - HN VAL 65 6.667% * 0.0171% (0.17 1.0 0.02 5.65) = 0.017% HG2 GLU- 45 - HN VAL 65 6.667% * 0.0151% (0.15 1.0 0.02 0.02) = 0.015% Peak 748 (2.31, 7.57, 118.56 ppm): 6 chemical-shift based assignments, quality = 0.911, support = 3.98, residual support = 24.5: * HG2 GLU- 64 - HN VAL 65 16.667% * 92.3281% (0.92 4.29 26.51) = 92.328% kept HG2 PRO 112 - HN VAL 65 16.667% * 6.6262% (0.91 0.31 0.02) = 6.626% kept HB3 PRO 116 - HN VAL 65 16.667% * 0.4043% (0.87 0.02 0.02) = 0.404% HB3 PRO 86 - HN VAL 65 16.667% * 0.3202% (0.69 0.02 0.02) = 0.320% HB2 TYR 83 - HN VAL 65 16.667% * 0.1916% (0.41 0.02 0.02) = 0.192% HB2 LYS+ 44 - HN VAL 65 16.667% * 0.1296% (0.28 0.02 0.02) = 0.130% Peak 749 (2.44, 8.21, 118.40 ppm): 2 chemical-shift based assignments, quality = 0.406, support = 4.5, residual support = 58.6: * HG3 GLU- 45 - HN GLU- 45 50.000% * 79.3329% (0.37 5.41 73.84) = 79.333% kept HG2 PRO 112 - HN GLU- 45 50.000% * 20.6671% (0.54 0.97 0.28) = 20.667% kept Peak 750 (0.94, 8.21, 118.40 ppm): 10 chemical-shift based assignments, quality = 0.826, support = 0.973, residual support = 0.5: QG2 VAL 105 - HN GLU- 45 10.000% * 20.4657% (0.97 1.19 0.32) = 20.466% kept QG1 VAL 105 - HN GLU- 45 10.000% * 20.3028% (0.99 1.16 0.32) = 20.303% kept QG2 VAL 73 - HN GLU- 45 10.000% * 15.9736% (0.76 1.19 1.63) = 15.974% kept * QG2 VAL 62 - HN GLU- 45 10.000% * 10.7035% (0.86 0.70 0.50) = 10.703% kept QG2 ILE 29 - HN GLU- 45 10.000% * 9.3564% (0.72 0.73 0.15) = 9.356% kept HG12 ILE 68 - HN GLU- 45 10.000% * 9.1818% (0.79 0.65 0.02) = 9.182% kept HG3 LYS+ 110 - HN GLU- 45 10.000% * 7.8864% (0.72 0.62 0.11) = 7.886% kept QG2 VAL 99 - HN GLU- 45 10.000% * 5.5687% (0.34 0.93 0.58) = 5.569% kept QD1 LEU 17 - HN GLU- 45 10.000% * 0.3481% (0.98 0.02 0.02) = 0.348% QG2 VAL 80 - HN GLU- 45 10.000% * 0.2130% (0.60 0.02 0.02) = 0.213% Peak 751 (2.26, 8.21, 118.40 ppm): 14 chemical-shift based assignments, quality = 0.491, support = 5.31, residual support = 62.7: O HB3 GLU- 45 - HN GLU- 45 7.143% * 83.3995% (0.48 10.0 5.89 73.84) = 83.400% kept HG2 PRO 112 - HN GLU- 45 7.143% * 8.1816% (0.97 1.0 0.97 0.28) = 8.182% kept * HB2 LYS+ 44 - HN GLU- 45 7.143% * 6.4497% (0.15 1.0 4.88 16.90) = 6.450% kept HB3 LYS+ 117 - HN GLU- 45 7.143% * 0.5757% (0.64 1.0 0.10 0.02) = 0.576% HG3 GLN 16 - HN GLU- 45 7.143% * 0.4443% (0.56 1.0 0.09 0.02) = 0.444% HG3 GLU- 107 - HN GLU- 45 7.143% * 0.1710% (0.99 1.0 0.02 0.02) = 0.171% HG3 GLU- 54 - HN GLU- 45 7.143% * 0.1679% (0.97 1.0 0.02 0.02) = 0.168% HB3 ASN 15 - HN GLU- 45 7.143% * 0.1309% (0.76 1.0 0.02 0.02) = 0.131% HB VAL 80 - HN GLU- 45 7.143% * 0.1244% (0.72 1.0 0.02 0.02) = 0.124% HG3 GLU- 75 - HN GLU- 45 7.143% * 0.1108% (0.64 1.0 0.02 0.11) = 0.111% HG3 GLU- 10 - HN GLU- 45 7.143% * 0.1039% (0.60 1.0 0.02 0.85) = 0.104% HB3 PRO 112 - HN GLU- 45 7.143% * 0.0873% (0.50 1.0 0.02 0.28) = 0.087% HB2 PRO 52 - HN GLU- 45 7.143% * 0.0264% (0.15 1.0 0.02 0.02) = 0.026% HG3 GLU- 109 - HN GLU- 45 7.143% * 0.0264% (0.15 1.0 0.02 0.02) = 0.026% Peak 752 (1.49, 8.21, 118.40 ppm): 7 chemical-shift based assignments, quality = 0.734, support = 3.75, residual support = 14.2: * HB3 LYS+ 44 - HN GLU- 45 14.286% * 84.0260% (0.76 4.39 16.90) = 84.026% kept HB2 LYS+ 72 - HN GLU- 45 14.286% * 7.3210% (0.68 0.43 0.02) = 7.321% kept HG3 LYS+ 72 - HN GLU- 45 14.286% * 6.1518% (0.56 0.43 0.02) = 6.152% kept QB ALA 70 - HN GLU- 45 14.286% * 1.8763% (0.79 0.09 0.02) = 1.876% kept HD3 LYS+ 108 - HN GLU- 45 14.286% * 0.4010% (0.79 0.02 0.60) = 0.401% HB3 LEU 67 - HN GLU- 45 14.286% * 0.1249% (0.25 0.02 0.02) = 0.125% HG3 PRO 52 - HN GLU- 45 14.286% * 0.0991% (0.20 0.02 0.02) = 0.099% Peak 753 (7.77, 8.21, 118.40 ppm): 5 chemical-shift based assignments, quality = 0.469, support = 4.36, residual support = 21.4: * T HN THR 46 - HN GLU- 45 20.000% * 87.7538% (0.47 10.00 4.66 24.18) = 87.754% kept HN VAL 87 - HN GLU- 45 20.000% * 10.3496% (0.43 1.00 2.56 1.57) = 10.350% kept HN VAL 125 - HN GLU- 45 20.000% * 1.6419% (0.63 1.00 0.28 0.02) = 1.642% kept HN SER 124 - HN GLU- 45 20.000% * 0.1309% (0.70 1.00 0.02 0.02) = 0.131% HN ALA 37 - HN GLU- 45 20.000% * 0.1238% (0.67 1.00 0.02 0.02) = 0.124% Peak 754 (7.91, 8.21, 118.40 ppm): 2 chemical-shift based assignments, quality = 0.363, support = 4.4, residual support = 16.9: * T HN LYS+ 44 - HN GLU- 45 50.000% * 99.9407% (0.36 10.00 4.40 16.90) = 99.941% kept HN LEU 90 - HN GLU- 45 50.000% * 0.0593% (0.22 1.00 0.02 0.02) = 0.059% Peak 755 (2.02, 8.21, 118.40 ppm): 16 chemical-shift based assignments, quality = 0.408, support = 3.49, residual support = 40.6: * O HB2 GLU- 45 - HN GLU- 45 6.250% * 54.8904% (0.20 10.0 5.66 73.84) = 54.890% kept HB3 GLU- 75 - HN GLU- 45 6.250% * 10.4079% (0.44 1.0 1.68 0.11) = 10.408% kept HB3 PRO 31 - HN GLU- 45 6.250% * 9.3068% (0.99 1.0 0.67 0.02) = 9.307% kept HG2 PRO 112 - HN GLU- 45 6.250% * 8.1584% (0.60 1.0 0.97 0.28) = 8.158% kept HG2 PRO 116 - HN GLU- 45 6.250% * 4.2052% (0.91 1.0 0.33 0.02) = 4.205% kept HB3 LYS+ 110 - HN GLU- 45 6.250% * 3.7289% (0.64 1.0 0.42 0.11) = 3.729% kept HG3 PRO 86 - HN GLU- 45 6.250% * 3.4690% (0.27 1.0 0.90 0.02) = 3.469% kept HB3 GLU- 64 - HN GLU- 45 6.250% * 3.0493% (0.98 1.0 0.22 0.02) = 3.049% kept HB3 GLU- 107 - HN GLU- 45 6.250% * 1.2623% (0.93 1.0 0.10 0.02) = 1.262% kept HB3 GLU- 10 - HN GLU- 45 6.250% * 0.2749% (0.98 1.0 0.02 0.85) = 0.275% HB3 GLU- 54 - HN GLU- 45 6.250% * 0.2624% (0.93 1.0 0.02 0.02) = 0.262% HG3 GLU- 64 - HN GLU- 45 6.250% * 0.2560% (0.91 1.0 0.02 0.02) = 0.256% HB2 GLU- 18 - HN GLU- 45 6.250% * 0.2014% (0.72 1.0 0.02 0.02) = 0.201% HG3 PRO 112 - HN GLU- 45 6.250% * 0.1905% (0.68 1.0 0.02 0.28) = 0.191% HB3 MET 118 - HN GLU- 45 6.250% * 0.1682% (0.60 1.0 0.02 0.02) = 0.168% HB2 HIS+ 14 - HN GLU- 45 6.250% * 0.1682% (0.60 1.0 0.02 0.02) = 0.168% Peak 758 (8.21, 8.21, 118.42 ppm): 1 diagonal assignment: * HN GLU- 45 - HN GLU- 45 (0.95) kept Peak 763 (4.23, 8.21, 118.42 ppm): 15 chemical-shift based assignments, quality = 0.881, support = 1.15, residual support = 2.66: HA SER 49 - HN GLU- 45 6.667% * 22.8554% (0.99 1.24 4.72) = 22.855% kept * HA ALA 42 - HN GLU- 45 6.667% * 21.8187% (0.99 1.18 3.50) = 21.819% kept HA LYS+ 108 - HN GLU- 45 6.667% * 21.4093% (0.92 1.25 0.60) = 21.409% kept HA GLU- 10 - HN GLU- 45 6.667% * 17.5103% (0.92 1.03 0.85) = 17.510% kept HB3 SER 49 - HN GLU- 45 6.667% * 11.3146% (0.46 1.33 4.72) = 11.315% kept HA GLU- 109 - HN GLU- 45 6.667% * 3.0873% (0.92 0.18 0.02) = 3.087% kept HA GLU- 107 - HN GLU- 45 6.667% * 0.6068% (0.34 0.10 0.02) = 0.607% HA GLU- 54 - HN GLU- 45 6.667% * 0.3413% (0.92 0.02 0.02) = 0.341% HA PRO 59 - HN GLU- 45 6.667% * 0.2540% (0.68 0.02 0.02) = 0.254% HA GLU- 12 - HN GLU- 45 6.667% * 0.2392% (0.64 0.02 0.02) = 0.239% HA ALA 11 - HN GLU- 45 6.667% * 0.1658% (0.45 0.02 0.88) = 0.166% HA ASN 76 - HN GLU- 45 6.667% * 0.1388% (0.37 0.02 0.02) = 0.139% HA ASN 119 - HN GLU- 45 6.667% * 0.1261% (0.34 0.02 0.02) = 0.126% HA ASP- 82 - HN GLU- 45 6.667% * 0.0823% (0.22 0.02 0.02) = 0.082% HA GLU- 75 - HN GLU- 45 6.667% * 0.0500% (0.13 0.02 0.11) = 0.050% Peak 766 (4.14, 8.11, 118.45 ppm): 8 chemical-shift based assignments, quality = 0.858, support = 2.48, residual support = 12.4: O HB2 SER 88 - HN SER 88 12.500% * 55.4031% (0.94 10.0 2.01 12.96) = 55.403% kept * O HA VAL 87 - HN SER 88 12.500% * 44.3633% (0.76 10.0 3.09 11.74) = 44.363% kept HB3 SER 49 - HN SER 88 12.500% * 0.0553% (0.94 1.0 0.02 0.02) = 0.055% HA2 GLY 71 - HN SER 88 12.500% * 0.0511% (0.87 1.0 0.02 0.02) = 0.051% HA LYS+ 110 - HN SER 88 12.500% * 0.0481% (0.82 1.0 0.02 0.02) = 0.048% HA ARG+ 53 - HN SER 88 12.500% * 0.0336% (0.57 1.0 0.02 0.02) = 0.034% HB THR 106 - HN SER 88 12.500% * 0.0228% (0.39 1.0 0.02 0.02) = 0.023% HA VAL 105 - HN SER 88 12.500% * 0.0228% (0.39 1.0 0.02 0.02) = 0.023% Peak 767 (3.88, 8.11, 118.45 ppm): 10 chemical-shift based assignments, quality = 0.454, support = 3.01, residual support = 10.9: * O HB3 SER 88 - HN SER 88 10.000% * 84.3751% (0.39 10.0 3.36 12.96) = 84.375% kept HD2 PRO 86 - HN SER 88 10.000% * 12.9415% (0.92 1.0 1.29 0.02) = 12.941% kept HB2 SER 85 - HN SER 88 10.000% * 1.7322% (0.42 1.0 0.38 0.02) = 1.732% kept HD2 PRO 116 - HN SER 88 10.000% * 0.2048% (0.94 1.0 0.02 0.02) = 0.205% HD3 PRO 35 - HN SER 88 10.000% * 0.2048% (0.94 1.0 0.02 0.02) = 0.205% HA GLU- 45 - HN SER 88 10.000% * 0.1568% (0.72 1.0 0.02 0.21) = 0.157% HB3 SER 27 - HN SER 88 10.000% * 0.1490% (0.68 1.0 0.02 0.02) = 0.149% HA2 GLY 114 - HN SER 88 10.000% * 0.0999% (0.46 1.0 0.02 0.02) = 0.100% HB3 SER 77 - HN SER 88 10.000% * 0.0999% (0.46 1.0 0.02 0.02) = 0.100% HB2 SER 77 - HN SER 88 10.000% * 0.0359% (0.17 1.0 0.02 0.02) = 0.036% Peak 768 (8.11, 8.11, 118.45 ppm): 1 diagonal assignment: * HN SER 88 - HN SER 88 (0.88) kept Peak 769 (7.79, 8.11, 118.45 ppm): 4 chemical-shift based assignments, quality = 0.933, support = 3.27, residual support = 11.7: * T HN VAL 87 - HN SER 88 25.000% * 99.7904% (0.93 10.00 3.27 11.74) = 99.790% kept HN THR 46 - HN SER 88 25.000% * 0.0987% (0.92 1.00 0.02 0.02) = 0.099% HN ALA 93 - HN SER 88 25.000% * 0.0731% (0.68 1.00 0.02 0.02) = 0.073% HN LYS+ 55 - HN SER 88 25.000% * 0.0378% (0.35 1.00 0.02 0.02) = 0.038% Peak 770 (4.78, 8.11, 118.45 ppm): 2 chemical-shift based assignments, quality = 0.823, support = 1.08, residual support = 0.795: HA ASN 15 - HN SER 88 50.000% * 81.5641% (0.94 1.14 0.94) = 81.564% kept HA LEU 23 - HN SER 88 50.000% * 18.4359% (0.29 0.83 0.14) = 18.436% kept Peak 771 (4.39, 8.11, 118.45 ppm): 16 chemical-shift based assignments, quality = 0.852, support = 3.34, residual support = 12.4: * O HA SER 88 - HN SER 88 6.250% * 96.0022% (0.87 10.0 3.45 12.96) = 96.002% kept HA PRO 86 - HN SER 88 6.250% * 3.1773% (0.50 1.0 1.16 0.02) = 3.177% kept HA ASN 57 - HN SER 88 6.250% * 0.1004% (0.91 1.0 0.02 0.02) = 0.100% HA THR 95 - HN SER 88 6.250% * 0.0984% (0.89 1.0 0.02 0.02) = 0.098% HA PRO 104 - HN SER 88 6.250% * 0.0902% (0.82 1.0 0.02 0.02) = 0.090% HA ALA 91 - HN SER 88 6.250% * 0.0869% (0.79 1.0 0.02 0.02) = 0.087% HA PRO 112 - HN SER 88 6.250% * 0.0714% (0.65 1.0 0.02 0.02) = 0.071% HA PRO 116 - HN SER 88 6.250% * 0.0631% (0.57 1.0 0.02 0.02) = 0.063% HA SER 27 - HN SER 88 6.250% * 0.0631% (0.57 1.0 0.02 0.02) = 0.063% HA ALA 37 - HN SER 88 6.250% * 0.0589% (0.53 1.0 0.02 0.02) = 0.059% HA LYS+ 60 - HN SER 88 6.250% * 0.0466% (0.42 1.0 0.02 0.02) = 0.047% HA TRP 51 - HN SER 88 6.250% * 0.0428% (0.39 1.0 0.02 0.02) = 0.043% HA HIS+ 14 - HN SER 88 6.250% * 0.0390% (0.35 1.0 0.02 0.02) = 0.039% HB THR 61 - HN SER 88 6.250% * 0.0232% (0.21 1.0 0.02 0.02) = 0.023% HA LYS+ 66 - HN SER 88 6.250% * 0.0206% (0.19 1.0 0.02 0.02) = 0.021% HA2 GLY 26 - HN SER 88 6.250% * 0.0160% (0.15 1.0 0.02 0.02) = 0.016% Peak 772 (4.90, 8.11, 118.45 ppm): 1 chemical-shift based assignment, quality = 0.354, support = 0.02, residual support = 0.02: HA ILE 19 - HN SER 88 100.000% *100.0000% (0.35 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 773 (0.91, 8.11, 118.45 ppm): 13 chemical-shift based assignments, quality = 0.726, support = 2.38, residual support = 7.75: * QG2 VAL 87 - HN SER 88 7.692% * 65.8759% (0.72 3.41 11.74) = 65.876% kept QD1 LEU 67 - HN SER 88 7.692% * 11.5089% (0.85 0.51 0.11) = 11.509% kept HG3 LYS+ 117 - HN SER 88 7.692% * 9.9551% (0.89 0.42 0.02) = 9.955% kept QG2 VAL 40 - HN SER 88 7.692% * 6.3481% (0.72 0.33 0.02) = 6.348% kept QG1 VAL 80 - HN SER 88 7.692% * 3.5524% (0.39 0.34 0.02) = 3.552% kept HG12 ILE 68 - HN SER 88 7.692% * 1.1221% (0.53 0.08 0.02) = 1.122% kept QG1 VAL 47 - HN SER 88 7.692% * 0.4226% (0.79 0.02 0.02) = 0.423% QG2 VAL 80 - HN SER 88 7.692% * 0.3866% (0.72 0.02 0.02) = 0.387% HG3 LYS+ 110 - HN SER 88 7.692% * 0.3273% (0.61 0.02 0.02) = 0.327% QG2 VAL 105 - HN SER 88 7.692% * 0.1561% (0.29 0.02 0.02) = 0.156% QD1 LEU 17 - HN SER 88 7.692% * 0.1407% (0.26 0.02 0.32) = 0.141% QG1 VAL 105 - HN SER 88 7.692% * 0.1261% (0.24 0.02 0.02) = 0.126% QG2 VAL 125 - HN SER 88 7.692% * 0.0781% (0.15 0.02 0.02) = 0.078% Peak 774 (7.90, 7.90, 118.11 ppm): 1 diagonal assignment: * HN LYS+ 44 - HN LYS+ 44 (0.78) kept Peak 775 (0.76, 7.90, 118.11 ppm): 5 chemical-shift based assignments, quality = 0.367, support = 4.38, residual support = 52.0: * HG3 LYS+ 44 - HN LYS+ 44 20.000% * 92.3498% (0.37 4.72 56.31) = 92.350% kept QG2 ILE 48 - HN LYS+ 44 20.000% * 5.5009% (0.31 0.34 0.51) = 5.501% kept HG3 LYS+ 66 - HN LYS+ 44 20.000% * 1.8143% (0.37 0.09 0.24) = 1.814% kept QG2 VAL 65 - HN LYS+ 44 20.000% * 0.1883% (0.18 0.02 0.02) = 0.188% QD1 ILE 68 - HN LYS+ 44 20.000% * 0.1468% (0.14 0.02 0.17) = 0.147% Peak 776 (2.26, 7.90, 118.11 ppm): 12 chemical-shift based assignments, quality = 0.313, support = 4.31, residual support = 49.2: * O HB2 LYS+ 44 - HN LYS+ 44 8.333% * 83.8973% (0.31 10.0 4.67 56.31) = 83.897% kept HB3 GLU- 45 - HN LYS+ 44 8.333% * 10.7395% (0.23 1.0 3.50 16.90) = 10.739% kept HG3 GLU- 75 - HN LYS+ 44 8.333% * 3.7343% (0.81 1.0 0.34 3.27) = 3.734% kept HG2 PRO 112 - HN LYS+ 44 8.333% * 0.2405% (0.88 1.0 0.02 0.27) = 0.241% HG3 GLU- 54 - HN LYS+ 44 8.333% * 0.2374% (0.87 1.0 0.02 0.02) = 0.237% HB VAL 80 - HN LYS+ 44 8.333% * 0.2327% (0.85 1.0 0.02 0.12) = 0.233% HG3 GLU- 107 - HN LYS+ 44 8.333% * 0.2270% (0.83 1.0 0.02 0.02) = 0.227% HB3 LYS+ 117 - HN LYS+ 44 8.333% * 0.2206% (0.81 1.0 0.02 0.02) = 0.221% HB3 PRO 112 - HN LYS+ 44 8.333% * 0.1912% (0.70 1.0 0.02 0.27) = 0.191% HB3 ASN 15 - HN LYS+ 44 8.333% * 0.1197% (0.44 1.0 0.02 0.02) = 0.120% HG3 GLU- 10 - HN LYS+ 44 8.333% * 0.0839% (0.31 1.0 0.02 0.02) = 0.084% HG3 GLN 16 - HN LYS+ 44 8.333% * 0.0759% (0.28 1.0 0.02 0.02) = 0.076% Peak 777 (3.52, 7.90, 118.11 ppm): 3 chemical-shift based assignments, quality = 0.684, support = 4.9, residual support = 55.8: * O HA LYS+ 44 - HN LYS+ 44 33.333% * 99.0089% (0.69 10.0 4.95 56.31) = 99.009% kept HA1 GLY 30 - HN LYS+ 44 33.333% * 0.9125% (0.20 1.0 0.63 0.11) = 0.913% HA1 GLY 26 - HN LYS+ 44 33.333% * 0.0786% (0.55 1.0 0.02 0.02) = 0.079% Peak 778 (2.08, 7.90, 118.11 ppm): 12 chemical-shift based assignments, quality = 0.587, support = 2.58, residual support = 10.7: HB3 GLU- 75 - HN LYS+ 44 8.333% * 43.3882% (0.89 1.72 3.27) = 43.388% kept * HB3 LEU 43 - HN LYS+ 44 8.333% * 32.6582% (0.23 5.13 27.85) = 32.658% kept HB VAL 62 - HN LYS+ 44 8.333% * 13.3525% (0.48 0.99 1.08) = 13.352% kept HB2 LYS+ 110 - HN LYS+ 44 8.333% * 7.2063% (0.89 0.29 0.02) = 7.206% kept HD3 LYS+ 110 - HN LYS+ 44 8.333% * 0.5097% (0.90 0.02 0.02) = 0.510% HB VAL 125 - HN LYS+ 44 8.333% * 0.4832% (0.85 0.02 0.02) = 0.483% HG2 GLN 16 - HN LYS+ 44 8.333% * 0.4832% (0.85 0.02 0.02) = 0.483% HB2 MET 118 - HN LYS+ 44 8.333% * 0.4267% (0.75 0.02 0.02) = 0.427% HB3 LYS+ 120 - HN LYS+ 44 8.333% * 0.4267% (0.75 0.02 0.02) = 0.427% HG2 PRO 112 - HN LYS+ 44 8.333% * 0.4044% (0.72 0.02 0.27) = 0.404% HB VAL 65 - HN LYS+ 44 8.333% * 0.3305% (0.58 0.02 0.02) = 0.330% HB ILE 101 - HN LYS+ 44 8.333% * 0.3305% (0.58 0.02 0.02) = 0.330% Peak 779 (8.20, 7.90, 118.11 ppm): 6 chemical-shift based assignments, quality = 0.617, support = 4.32, residual support = 16.6: * T HN GLU- 45 - HN LYS+ 44 16.667% * 98.2252% (0.62 10.00 4.40 16.90) = 98.225% kept HN ALA 11 - HN LYS+ 44 16.667% * 1.2879% (0.55 1.00 0.30 0.02) = 1.288% kept HN VAL 105 - HN LYS+ 44 16.667% * 0.2503% (0.41 1.00 0.08 0.11) = 0.250% HN ALA 33 - HN LYS+ 44 16.667% * 0.1380% (0.87 1.00 0.02 0.02) = 0.138% HN VAL 94 - HN LYS+ 44 16.667% * 0.0588% (0.37 1.00 0.02 0.02) = 0.059% HN GLN 16 - HN LYS+ 44 16.667% * 0.0398% (0.25 1.00 0.02 0.02) = 0.040% Peak 780 (1.48, 7.90, 118.11 ppm): 10 chemical-shift based assignments, quality = 0.857, support = 4.91, residual support = 53.1: * O HB3 LYS+ 44 - HN LYS+ 44 10.000% * 94.1875% (0.87 10.0 5.18 56.31) = 94.187% kept QB ALA 70 - HN LYS+ 44 10.000% * 2.6276% (0.88 1.0 0.55 0.02) = 2.628% kept HB3 LEU 67 - HN LYS+ 44 10.000% * 1.9170% (0.50 1.0 0.71 0.80) = 1.917% kept HD3 LYS+ 108 - HN LYS+ 44 10.000% * 0.5934% (0.40 1.0 0.28 0.02) = 0.593% HB2 LYS+ 72 - HN LYS+ 44 10.000% * 0.5489% (0.30 1.0 0.34 0.02) = 0.549% HG3 PRO 52 - HN LYS+ 44 10.000% * 0.0463% (0.43 1.0 0.02 0.02) = 0.046% HG13 ILE 48 - HN LYS+ 44 10.000% * 0.0264% (0.25 1.0 0.02 0.51) = 0.026% HG3 LYS+ 72 - HN LYS+ 44 10.000% * 0.0237% (0.22 1.0 0.02 0.02) = 0.024% HG2 PRO 59 - HN LYS+ 44 10.000% * 0.0147% (0.14 1.0 0.02 0.02) = 0.015% HG3 LYS+ 60 - HN LYS+ 44 10.000% * 0.0147% (0.14 1.0 0.02 0.02) = 0.015% Peak 781 (0.91, 7.90, 118.11 ppm): 13 chemical-shift based assignments, quality = 0.652, support = 0.746, residual support = 3.54: QG2 VAL 40 - HN LYS+ 44 7.692% * 23.7800% (0.75 1.21 0.30) = 23.780% kept QG1 VAL 47 - HN LYS+ 44 7.692% * 15.6162% (0.81 0.74 21.28) = 15.616% kept QD1 LEU 67 - HN LYS+ 44 7.692% * 13.1834% (0.85 0.59 0.80) = 13.183% kept HG3 LYS+ 117 - HN LYS+ 44 7.692% * 10.2701% (0.89 0.45 0.02) = 10.270% kept HG12 ILE 68 - HN LYS+ 44 7.692% * 8.1629% (0.44 0.72 0.17) = 8.163% kept HG3 LYS+ 110 - HN LYS+ 44 7.692% * 7.2345% (0.51 0.55 0.02) = 7.235% kept QG2 VAL 105 - HN LYS+ 44 7.692% * 5.1564% (0.23 0.88 0.11) = 5.156% kept QG1 VAL 80 - HN LYS+ 44 7.692% * 4.8626% (0.44 0.43 0.12) = 4.863% kept QG2 VAL 80 - HN LYS+ 44 7.692% * 3.5609% (0.62 0.22 0.12) = 3.561% kept QG1 VAL 105 - HN LYS+ 44 7.692% * 3.3521% (0.18 0.72 0.11) = 3.352% kept QG2 VAL 125 - HN LYS+ 44 7.692% * 2.3606% (0.18 0.51 0.02) = 2.361% kept QD1 LEU 17 - HN LYS+ 44 7.692% * 2.0688% (0.20 0.40 0.02) = 2.069% kept QG2 VAL 87 - HN LYS+ 44 7.692% * 0.3915% (0.75 0.02 0.02) = 0.391% Peak 782 (1.80, 7.90, 118.11 ppm): 12 chemical-shift based assignments, quality = 0.79, support = 1.03, residual support = 0.99: HB3 LYS+ 63 - HN LYS+ 44 8.333% * 46.1617% (0.90 1.52 1.25) = 46.162% kept HG3 LYS+ 63 - HN LYS+ 44 8.333% * 21.4480% (0.69 0.92 1.25) = 21.448% kept HG2 PRO 31 - HN LYS+ 44 8.333% * 14.2815% (0.72 0.59 0.98) = 14.282% kept HB3 LYS+ 108 - HN LYS+ 44 8.333% * 10.9030% (0.90 0.36 0.02) = 10.903% kept HB2 GLU- 109 - HN LYS+ 44 8.333% * 3.0885% (0.51 0.18 0.02) = 3.088% kept HG3 LYS+ 108 - HN LYS+ 44 8.333% * 2.6186% (0.28 0.28 0.02) = 2.619% kept HG3 ARG+ 53 - HN LYS+ 44 8.333% * 0.3695% (0.55 0.02 0.02) = 0.369% HD3 LYS+ 72 - HN LYS+ 44 8.333% * 0.2731% (0.41 0.02 0.02) = 0.273% HB2 ARG+ 84 - HN LYS+ 44 8.333% * 0.2504% (0.37 0.02 0.02) = 0.250% HG2 ARG+ 84 - HN LYS+ 44 8.333% * 0.2286% (0.34 0.02 0.02) = 0.229% HB3 GLU- 18 - HN LYS+ 44 8.333% * 0.2078% (0.31 0.02 0.02) = 0.208% HD3 LYS+ 117 - HN LYS+ 44 8.333% * 0.1694% (0.25 0.02 0.02) = 0.169% Peak 783 (3.78, 7.90, 118.11 ppm): 1 chemical-shift based assignment, quality = 0.179, support = 0.267, residual support = 0.267: HD3 PRO 112 - HN LYS+ 44 100.000% *100.0000% (0.18 0.27 0.27) = 100.000% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 784 (8.82, 8.83, 118.01 ppm): 1 diagonal assignment: * HN LYS+ 60 - HN LYS+ 60 (0.89) kept Peak 785 (4.26, 8.83, 118.01 ppm): 22 chemical-shift based assignments, quality = 0.613, support = 2.59, residual support = 12.0: O HA PRO 59 - HN LYS+ 60 4.545% * 93.1824% (0.60 10.0 2.74 12.86) = 93.182% kept HA GLU- 75 - HN LYS+ 60 4.545% * 5.1290% (0.99 1.0 0.67 0.18) = 5.129% kept HA GLU- 64 - HN LYS+ 60 4.545% * 0.1506% (0.98 1.0 0.02 0.02) = 0.151% HA GLU- 107 - HN LYS+ 60 4.545% * 0.1418% (0.92 1.0 0.02 0.02) = 0.142% HA ASN 119 - HN LYS+ 60 4.545% * 0.1418% (0.92 1.0 0.02 0.02) = 0.142% HA ASN 76 - HN LYS+ 60 4.545% * 0.1378% (0.89 1.0 0.02 0.15) = 0.138% HA GLU- 56 - HN LYS+ 60 4.545% * 0.1378% (0.89 1.0 0.02 0.02) = 0.138% HA ALA 11 - HN LYS+ 60 4.545% * 0.1283% (0.83 1.0 0.02 0.02) = 0.128% HA ARG+ 84 - HN LYS+ 60 4.545% * 0.1055% (0.68 1.0 0.02 0.02) = 0.106% HA SER 85 - HN LYS+ 60 4.545% * 0.1055% (0.68 1.0 0.02 0.02) = 0.106% HA PRO 52 - HN LYS+ 60 4.545% * 0.1055% (0.68 1.0 0.02 0.02) = 0.106% HA VAL 94 - HN LYS+ 60 4.545% * 0.0994% (0.64 1.0 0.02 0.02) = 0.099% HA VAL 122 - HN LYS+ 60 4.545% * 0.0689% (0.45 1.0 0.02 0.02) = 0.069% HA LEU 90 - HN LYS+ 60 4.545% * 0.0577% (0.37 1.0 0.02 0.02) = 0.058% HA LYS+ 108 - HN LYS+ 60 4.545% * 0.0524% (0.34 1.0 0.02 0.02) = 0.052% HA GLU- 10 - HN LYS+ 60 4.545% * 0.0524% (0.34 1.0 0.02 0.02) = 0.052% HA GLU- 54 - HN LYS+ 60 4.545% * 0.0524% (0.34 1.0 0.02 0.02) = 0.052% HB3 SER 49 - HN LYS+ 60 4.545% * 0.0388% (0.25 1.0 0.02 0.02) = 0.039% HB3 CYS 121 - HN LYS+ 60 4.545% * 0.0342% (0.22 1.0 0.02 0.02) = 0.034% HA ALA 42 - HN LYS+ 60 4.545% * 0.0304% (0.20 1.0 0.02 0.02) = 0.030% HA THR 106 - HN LYS+ 60 4.545% * 0.0237% (0.15 1.0 0.02 0.02) = 0.024% HA SER 49 - HN LYS+ 60 4.545% * 0.0237% (0.15 1.0 0.02 0.02) = 0.024% Reference assignment not found: HA LYS+ 60 - HN LYS+ 60 Peak 786 (7.43, 8.83, 118.01 ppm): 2 chemical-shift based assignments, quality = 0.96, support = 4.21, residual support = 15.1: * T HN THR 61 - HN LYS+ 60 50.000% * 99.9795% (0.96 10.00 4.21 15.13) = 99.979% kept HN GLU- 64 - HN LYS+ 60 50.000% * 0.0205% (0.20 1.00 0.02 0.02) = 0.021% Peak 787 (1.84, 8.83, 118.01 ppm): 12 chemical-shift based assignments, quality = 0.811, support = 4.46, residual support = 25.9: O HB2 PRO 59 - HN LYS+ 60 8.333% * 55.4168% (0.94 10.0 4.01 12.86) = 55.417% kept * O HB3 LYS+ 60 - HN LYS+ 60 8.333% * 40.2408% (0.68 10.0 5.15 45.24) = 40.241% kept HD2 PRO 59 - HN LYS+ 60 8.333% * 4.0874% (0.34 1.0 4.09 12.86) = 4.087% kept HB2 LYS+ 66 - HN LYS+ 60 8.333% * 0.0565% (0.96 1.0 0.02 0.02) = 0.057% HB3 LYS+ 72 - HN LYS+ 60 8.333% * 0.0379% (0.64 1.0 0.02 0.02) = 0.038% HB2 PRO 104 - HN LYS+ 60 8.333% * 0.0355% (0.60 1.0 0.02 0.02) = 0.036% HD3 LYS+ 117 - HN LYS+ 60 8.333% * 0.0308% (0.52 1.0 0.02 0.02) = 0.031% HG3 LYS+ 108 - HN LYS+ 60 8.333% * 0.0285% (0.48 1.0 0.02 0.02) = 0.029% HB VAL 94 - HN LYS+ 60 8.333% * 0.0220% (0.37 1.0 0.02 0.02) = 0.022% HD3 LYS+ 72 - HN LYS+ 60 8.333% * 0.0200% (0.34 1.0 0.02 0.02) = 0.020% HB2 GLU- 109 - HN LYS+ 60 8.333% * 0.0146% (0.25 1.0 0.02 0.02) = 0.015% HG2 PRO 112 - HN LYS+ 60 8.333% * 0.0091% (0.15 1.0 0.02 0.02) = 0.009% Peak 788 (1.44, 8.83, 118.01 ppm): 14 chemical-shift based assignments, quality = 0.585, support = 4.24, residual support = 27.8: * HG3 LYS+ 60 - HN LYS+ 60 7.143% * 49.9752% (0.60 5.11 45.24) = 49.975% kept HG2 PRO 59 - HN LYS+ 60 7.143% * 40.3001% (0.60 4.12 12.86) = 40.300% kept QG2 THR 38 - HN LYS+ 60 7.143% * 3.4193% (0.68 0.31 0.02) = 3.419% kept HD3 LYS+ 44 - HN LYS+ 60 7.143% * 2.3793% (0.48 0.30 0.02) = 2.379% kept HG13 ILE 48 - HN LYS+ 60 7.143% * 2.1444% (0.41 0.32 1.89) = 2.144% kept HG LEU 90 - HN LYS+ 60 7.143% * 0.3218% (0.99 0.02 0.02) = 0.322% HG3 LYS+ 113 - HN LYS+ 60 7.143% * 0.2892% (0.89 0.02 0.02) = 0.289% HG3 ARG+ 22 - HN LYS+ 60 7.143% * 0.2694% (0.83 0.02 0.02) = 0.269% HG3 LYS+ 55 - HN LYS+ 60 7.143% * 0.2694% (0.83 0.02 0.02) = 0.269% HD3 LYS+ 113 - HN LYS+ 60 7.143% * 0.2582% (0.79 0.02 0.02) = 0.258% QB ALA 91 - HN LYS+ 60 7.143% * 0.1956% (0.60 0.02 0.02) = 0.196% HG3 PRO 52 - HN LYS+ 60 7.143% * 0.0718% (0.22 0.02 0.02) = 0.072% HB3 LEU 67 - HN LYS+ 60 7.143% * 0.0565% (0.17 0.02 0.02) = 0.056% QB ALA 37 - HN LYS+ 60 7.143% * 0.0498% (0.15 0.02 0.02) = 0.050% Peak 789 (4.37, 8.83, 118.01 ppm): 11 chemical-shift based assignments, quality = 0.97, support = 4.71, residual support = 41.0: * O HA LYS+ 60 - HN LYS+ 60 9.091% * 86.2582% (0.99 10.0 4.92 45.24) = 86.258% kept HB THR 61 - HN LYS+ 60 9.091% * 13.2093% (0.86 1.0 3.52 15.13) = 13.209% kept HA TRP 51 - HN LYS+ 60 9.091% * 0.0857% (0.99 1.0 0.02 0.02) = 0.086% HA ALA 37 - HN LYS+ 60 9.091% * 0.0857% (0.99 1.0 0.02 0.02) = 0.086% HA SER 27 - HN LYS+ 60 9.091% * 0.0847% (0.98 1.0 0.02 0.02) = 0.085% HA ALA 91 - HN LYS+ 60 9.091% * 0.0722% (0.83 1.0 0.02 0.02) = 0.072% HA2 GLY 26 - HN LYS+ 60 9.091% * 0.0661% (0.76 1.0 0.02 0.02) = 0.066% HA SER 88 - HN LYS+ 60 9.091% * 0.0628% (0.72 1.0 0.02 0.02) = 0.063% HA ASN 57 - HN LYS+ 60 9.091% * 0.0295% (0.34 1.0 0.02 0.02) = 0.029% HA THR 95 - HN LYS+ 60 9.091% * 0.0267% (0.31 1.0 0.02 0.02) = 0.027% HA PRO 104 - HN LYS+ 60 9.091% * 0.0192% (0.22 1.0 0.02 0.02) = 0.019% Peak 790 (1.57, 8.83, 118.01 ppm): 10 chemical-shift based assignments, quality = 0.949, support = 4.18, residual support = 36.1: * HD3 LYS+ 60 - HN LYS+ 60 10.000% * 79.6834% (0.96 4.98 45.24) = 79.683% kept HB ILE 19 - HN LYS+ 60 10.000% * 18.5657% (0.99 1.12 0.42) = 18.566% kept HG LEU 17 - HN LYS+ 60 10.000% * 0.3285% (0.99 0.02 0.02) = 0.329% HD3 LYS+ 81 - HN LYS+ 60 10.000% * 0.3060% (0.92 0.02 0.13) = 0.306% QB ALA 42 - HN LYS+ 60 10.000% * 0.2277% (0.68 0.02 0.02) = 0.228% HG12 ILE 29 - HN LYS+ 60 10.000% * 0.2277% (0.68 0.02 0.02) = 0.228% HB3 LEU 90 - HN LYS+ 60 10.000% * 0.2010% (0.60 0.02 0.02) = 0.201% HB3 LYS+ 32 - HN LYS+ 60 10.000% * 0.1744% (0.52 0.02 0.16) = 0.174% HG13 ILE 29 - HN LYS+ 60 10.000% * 0.1613% (0.48 0.02 0.02) = 0.161% QG2 THR 24 - HN LYS+ 60 10.000% * 0.1244% (0.37 0.02 0.02) = 0.124% Peak 791 (0.70, 8.83, 118.01 ppm): 12 chemical-shift based assignments, quality = 0.785, support = 0.857, residual support = 0.719: QG2 ILE 48 - HN LYS+ 60 8.333% * 21.6307% (0.94 1.03 1.89) = 21.631% kept HG LEU 74 - HN LYS+ 60 8.333% * 17.1466% (0.52 1.47 1.30) = 17.147% kept QG1 VAL 65 - HN LYS+ 60 8.333% * 16.7977% (0.99 0.76 0.02) = 16.798% kept QG2 THR 96 - HN LYS+ 60 8.333% * 13.7188% (0.96 0.64 0.02) = 13.719% kept QD1 ILE 19 - HN LYS+ 60 8.333% * 8.8349% (0.68 0.58 0.42) = 8.835% kept HG12 ILE 19 - HN LYS+ 60 8.333% * 8.5955% (0.56 0.68 0.42) = 8.596% kept QG2 ILE 101 - HN LYS+ 60 8.333% * 7.8578% (1.00 0.35 0.02) = 7.858% kept QG1 VAL 40 - HN LYS+ 60 8.333% * 3.1696% (0.17 0.81 0.02) = 3.170% kept QG1 VAL 62 - HN LYS+ 60 8.333% * 1.0782% (0.15 0.31 0.45) = 1.078% kept QD1 ILE 68 - HN LYS+ 60 8.333% * 0.6312% (0.15 0.18 0.02) = 0.631% QG2 ILE 68 - HN LYS+ 60 8.333% * 0.2695% (0.60 0.02 0.02) = 0.270% QG2 VAL 94 - HN LYS+ 60 8.333% * 0.2695% (0.60 0.02 0.02) = 0.270% Reference assignment not found: QG2 VAL 65 - HN LYS+ 60 Peak 794 (7.60, 7.61, 117.98 ppm): 1 diagonal assignment: * HN ASP- 25 - HN ASP- 25 (0.96) kept Peak 795 (8.11, 7.61, 117.98 ppm): 3 chemical-shift based assignments, quality = 0.862, support = 3.69, residual support = 9.93: * T HN GLY 26 - HN ASP- 25 33.333% * 99.8220% (0.86 10.00 3.70 9.94) = 99.822% kept HN SER 88 - HN ASP- 25 33.333% * 0.1128% (0.98 1.00 0.02 0.02) = 0.113% HN VAL 122 - HN ASP- 25 33.333% * 0.0652% (0.56 1.00 0.02 0.02) = 0.065% Peak 796 (2.62, 7.61, 117.98 ppm): 5 chemical-shift based assignments, quality = 0.911, support = 3.28, residual support = 23.7: * O HB2 ASP- 25 - HN ASP- 25 20.000% * 99.1979% (0.92 10.0 3.31 23.93) = 99.198% kept HG2 PRO 112 - HN ASP- 25 20.000% * 0.5290% (0.14 1.0 0.71 0.02) = 0.529% HE3 LYS+ 20 - HN ASP- 25 20.000% * 0.1053% (0.98 1.0 0.02 0.02) = 0.105% HB2 PHE 34 - HN ASP- 25 20.000% * 0.0898% (0.83 1.0 0.02 0.02) = 0.090% HG2 MET 118 - HN ASP- 25 20.000% * 0.0780% (0.72 1.0 0.02 0.02) = 0.078% Peak 797 (9.35, 7.61, 117.98 ppm): 1 chemical-shift based assignment, quality = 0.76, support = 4.94, residual support = 13.7: * T HN THR 24 - HN ASP- 25 100.000% *100.0000% (0.76 10.00 4.94 13.72) = 100.000% kept Peak 798 (4.60, 7.61, 117.98 ppm): 3 chemical-shift based assignments, quality = 0.974, support = 3.9, residual support = 23.9: * O HA ASP- 25 - HN ASP- 25 33.333% * 99.9006% (0.98 10.0 3.91 23.93) = 99.901% kept HA LYS+ 72 - HN ASP- 25 33.333% * 0.0740% (0.72 1.0 0.02 0.02) = 0.074% HA LYS+ 78 - HN ASP- 25 33.333% * 0.0254% (0.25 1.0 0.02 0.02) = 0.025% Peak 799 (3.09, 7.61, 117.98 ppm): 2 chemical-shift based assignments, quality = 0.405, support = 3.28, residual support = 23.7: * O HB3 ASP- 25 - HN ASP- 25 50.000% * 99.0873% (0.41 10.0 3.31 23.93) = 99.087% kept HA VAL 47 - HN ASP- 25 50.000% * 0.9127% (0.96 1.0 0.08 0.02) = 0.913% Peak 800 (4.40, 7.61, 117.98 ppm): 14 chemical-shift based assignments, quality = 0.771, support = 0.198, residual support = 0.0196: HA PRO 112 - HN ASP- 25 7.143% * 47.5854% (0.96 0.27 0.02) = 47.585% kept HA SER 27 - HN ASP- 25 7.143% * 16.8299% (0.28 0.33 0.02) = 16.830% kept HA HIS+ 14 - HN ASP- 25 7.143% * 10.6236% (0.72 0.08 0.02) = 10.624% kept HA PRO 104 - HN ASP- 25 7.143% * 3.6315% (0.99 0.02 0.02) = 3.632% kept HA THR 95 - HN ASP- 25 7.143% * 3.5125% (0.96 0.02 0.02) = 3.512% kept HA ASN 57 - HN ASP- 25 7.143% * 3.4429% (0.94 0.02 0.02) = 3.443% kept HA PRO 116 - HN ASP- 25 7.143% * 3.3598% (0.92 0.02 0.02) = 3.360% kept HA PRO 86 - HN ASP- 25 7.143% * 3.1571% (0.86 0.02 0.02) = 3.157% kept HA SER 88 - HN ASP- 25 7.143% * 2.2075% (0.60 0.02 0.02) = 2.208% kept HA ALA 91 - HN ASP- 25 7.143% * 1.7716% (0.48 0.02 0.02) = 1.772% kept HA LYS+ 66 - HN ASP- 25 7.143% * 1.7716% (0.48 0.02 0.02) = 1.772% kept HA ALA 37 - HN ASP- 25 7.143% * 0.9075% (0.25 0.02 0.02) = 0.908% HA LYS+ 60 - HN ASP- 25 7.143% * 0.6374% (0.17 0.02 0.02) = 0.637% HA TRP 51 - HN ASP- 25 7.143% * 0.5616% (0.15 0.02 0.02) = 0.562% Reference assignment not found: HB THR 24 - HN ASP- 25 Not enough support, support cutoff is 0.27 Peak unassigned. Peak 801 (1.73, 7.61, 117.98 ppm): 5 chemical-shift based assignments, quality = 0.577, support = 2.05, residual support = 3.14: * HB3 LEU 23 - HN ASP- 25 20.000% * 60.3013% (0.45 2.85 4.93) = 60.301% kept HB2 GLN 16 - HN ASP- 25 20.000% * 35.8887% (0.83 0.91 0.47) = 35.889% kept HB2 LYS+ 117 - HN ASP- 25 20.000% * 1.6528% (0.41 0.09 0.02) = 1.653% kept HB2 LEU 17 - HN ASP- 25 20.000% * 1.5849% (0.20 0.17 0.02) = 1.585% kept HB ILE 48 - HN ASP- 25 20.000% * 0.5722% (0.60 0.02 0.02) = 0.572% Peak 802 (1.92, 7.61, 117.98 ppm): 15 chemical-shift based assignments, quality = 0.888, support = 2.17, residual support = 3.11: * HB2 LEU 23 - HN ASP- 25 6.667% * 59.2088% (0.99 3.04 4.93) = 59.209% kept HB ILE 29 - HN ASP- 25 6.667% * 22.8970% (0.92 1.27 0.80) = 22.897% kept HB2 PRO 112 - HN ASP- 25 6.667% * 6.7123% (0.79 0.44 0.02) = 6.712% kept HG2 PRO 112 - HN ASP- 25 6.667% * 4.3520% (0.31 0.71 0.02) = 4.352% kept HB2 PRO 116 - HN ASP- 25 6.667% * 3.1874% (0.60 0.27 0.02) = 3.187% kept HB3 GLN 16 - HN ASP- 25 6.667% * 2.1079% (0.17 0.62 0.47) = 2.108% kept HD3 LYS+ 63 - HN ASP- 25 6.667% * 0.3600% (0.92 0.02 0.02) = 0.360% HB3 GLN 102 - HN ASP- 25 6.667% * 0.2980% (0.76 0.02 0.02) = 0.298% HB2 GLU- 10 - HN ASP- 25 6.667% * 0.2365% (0.60 0.02 0.02) = 0.237% HB3 ARG+ 53 - HN ASP- 25 6.667% * 0.1898% (0.48 0.02 0.02) = 0.190% HB3 CYS 123 - HN ASP- 25 6.667% * 0.1330% (0.34 0.02 0.02) = 0.133% HB2 GLU- 75 - HN ASP- 25 6.667% * 0.1204% (0.31 0.02 0.02) = 0.120% HG2 GLU- 18 - HN ASP- 25 6.667% * 0.0683% (0.17 0.02 0.02) = 0.068% HB3 LYS+ 55 - HN ASP- 25 6.667% * 0.0683% (0.17 0.02 0.02) = 0.068% HG3 PRO 31 - HN ASP- 25 6.667% * 0.0602% (0.15 0.02 0.02) = 0.060% Peak 803 (1.55, 7.61, 117.98 ppm): 9 chemical-shift based assignments, quality = 0.908, support = 3.74, residual support = 8.44: * QG2 THR 24 - HN ASP- 25 11.111% * 59.5959% (0.98 5.26 13.72) = 59.596% kept HG13 ILE 29 - HN ASP- 25 11.111% * 21.2231% (0.92 1.99 0.80) = 21.223% kept HG12 ILE 29 - HN ASP- 25 11.111% * 11.4838% (0.76 1.30 0.80) = 11.484% kept QB ALA 42 - HN ASP- 25 11.111% * 4.7840% (0.76 0.54 0.02) = 4.784% kept HD3 LYS+ 60 - HN ASP- 25 11.111% * 1.8668% (0.41 0.39 0.02) = 1.867% kept HG LEU 17 - HN ASP- 25 11.111% * 0.6695% (0.34 0.17 0.02) = 0.669% HB3 LEU 90 - HN ASP- 25 11.111% * 0.1931% (0.83 0.02 0.02) = 0.193% HD3 LYS+ 81 - HN ASP- 25 11.111% * 0.1125% (0.48 0.02 0.02) = 0.113% HB ILE 19 - HN ASP- 25 11.111% * 0.0714% (0.31 0.02 0.02) = 0.071% Peak 804 (8.58, 8.59, 117.77 ppm): 1 diagonal assignment: * HN THR 39 - HN THR 39 (0.91) kept Peak 805 (4.00, 8.59, 117.77 ppm): 4 chemical-shift based assignments, quality = 0.832, support = 3.25, residual support = 13.9: * O HA THR 38 - HN THR 39 25.000% * 94.0470% (0.83 10.0 3.39 14.77) = 94.047% kept HB THR 95 - HN THR 39 25.000% * 5.8208% (0.95 1.0 1.07 0.17) = 5.821% kept HA1 GLY 92 - HN THR 39 25.000% * 0.0818% (0.72 1.0 0.02 0.02) = 0.082% HA VAL 13 - HN THR 39 25.000% * 0.0505% (0.44 1.0 0.02 0.02) = 0.050% Peak 806 (1.38, 8.59, 117.77 ppm): 11 chemical-shift based assignments, quality = 0.911, support = 2.41, residual support = 4.49: * QG2 THR 39 - HN THR 39 9.091% * 76.1953% (0.99 3.05 5.79) = 76.195% kept HG2 LYS+ 78 - HN THR 39 9.091% * 8.7103% (0.94 0.37 0.13) = 8.710% kept HB3 LYS+ 20 - HN THR 39 9.091% * 6.8736% (0.64 0.43 0.50) = 6.874% kept HD3 LYS+ 20 - HN THR 39 9.091% * 5.8146% (0.56 0.41 0.50) = 5.815% kept HG13 ILE 100 - HN THR 39 9.091% * 0.9623% (0.25 0.15 0.02) = 0.962% HG13 ILE 68 - HN THR 39 9.091% * 0.4719% (0.94 0.02 0.02) = 0.472% QB ALA 11 - HN THR 39 9.091% * 0.3427% (0.68 0.02 0.02) = 0.343% HB3 LEU 17 - HN THR 39 9.091% * 0.2237% (0.44 0.02 0.02) = 0.224% HG3 LYS+ 81 - HN THR 39 9.091% * 0.1702% (0.34 0.02 0.02) = 0.170% QB ALA 93 - HN THR 39 9.091% * 0.1244% (0.25 0.02 0.02) = 0.124% HG LEU 67 - HN THR 39 9.091% * 0.1111% (0.22 0.02 0.02) = 0.111% Peak 807 (1.54, 8.59, 117.77 ppm): 9 chemical-shift based assignments, quality = 0.59, support = 2.35, residual support = 7.25: * QB ALA 42 - HN THR 39 11.111% * 81.2004% (0.60 2.84 8.92) = 81.200% kept QG2 THR 24 - HN THR 39 11.111% * 10.0590% (0.89 0.24 0.02) = 10.059% kept HB ILE 19 - HN THR 39 11.111% * 3.9311% (0.20 0.42 0.14) = 3.931% kept HD3 LYS+ 60 - HN THR 39 11.111% * 2.3029% (0.27 0.18 0.02) = 2.303% kept HG13 ILE 29 - HN THR 39 11.111% * 0.7552% (0.79 0.02 0.02) = 0.755% HB3 LEU 90 - HN THR 39 11.111% * 0.6478% (0.68 0.02 0.55) = 0.648% HG12 ILE 29 - HN THR 39 11.111% * 0.5720% (0.60 0.02 0.02) = 0.572% HD3 LYS+ 81 - HN THR 39 11.111% * 0.3217% (0.34 0.02 0.02) = 0.322% HG LEU 17 - HN THR 39 11.111% * 0.2100% (0.22 0.02 0.02) = 0.210% Peak 808 (4.74, 8.59, 117.77 ppm): 3 chemical-shift based assignments, quality = 0.193, support = 2.22, residual support = 5.45: * O HA THR 39 - HN THR 39 33.333% * 93.5080% (0.17 10.0 2.35 5.79) = 93.508% kept HA LYS+ 20 - HN THR 39 33.333% * 6.3732% (0.48 1.0 0.49 0.50) = 6.373% kept HA2 GLY 30 - HN THR 39 33.333% * 0.1189% (0.22 1.0 0.02 0.02) = 0.119% Peak 809 (8.74, 8.59, 117.77 ppm): 4 chemical-shift based assignments, quality = 0.823, support = 0.118, residual support = 0.02: HN ILE 101 - HN THR 39 25.000% * 55.6685% (0.86 0.15 0.02) = 55.668% kept HN GLU- 56 - HN THR 39 25.000% * 33.6361% (0.83 0.09 0.02) = 33.636% kept HN VAL 62 - HN THR 39 25.000% * 6.2019% (0.72 0.02 0.02) = 6.202% kept HN PHE 34 - HN THR 39 25.000% * 4.4935% (0.52 0.02 0.02) = 4.494% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 810 (7.72, 8.59, 117.77 ppm): 2 chemical-shift based assignments, quality = 0.599, support = 2.17, residual support = 8.91: * T HN ALA 42 - HN THR 39 50.000% * 99.8480% (0.60 10.00 2.17 8.92) = 99.848% kept HN VAL 13 - HN THR 39 50.000% * 0.1520% (0.91 1.00 0.02 0.02) = 0.152% Peak 811 (7.88, 8.59, 117.77 ppm): 4 chemical-shift based assignments, quality = 0.671, support = 2.68, residual support = 13.0: * T HN THR 38 - HN THR 39 25.000% * 87.3637% (0.64 10.00 2.85 14.77) = 87.364% kept HN LEU 90 - HN THR 39 25.000% * 11.4161% (0.98 1.00 1.71 0.55) = 11.416% kept HN LYS+ 44 - HN THR 39 25.000% * 0.6905% (0.89 1.00 0.11 0.02) = 0.691% HD22 ASN 89 - HN THR 39 25.000% * 0.5296% (0.76 1.00 0.10 0.02) = 0.530% Peak 812 (8.01, 8.02, 117.84 ppm): 1 diagonal assignment: * HN SER 27 - HN SER 27 (0.97) kept Peak 813 (4.36, 8.02, 117.84 ppm): 7 chemical-shift based assignments, quality = 0.717, support = 2.28, residual support = 6.56: * O HA2 GLY 26 - HN SER 27 14.286% * 69.2560% (0.87 10.0 2.44 6.98) = 69.256% kept O HA SER 27 - HN SER 27 14.286% * 28.7542% (0.36 10.0 1.98 5.99) = 28.754% kept HA TRP 51 - HN SER 27 14.286% * 1.8403% (0.55 1.0 0.84 0.10) = 1.840% kept HB THR 61 - HN SER 27 14.286% * 0.0618% (0.78 1.0 0.02 0.02) = 0.062% HA LYS+ 60 - HN SER 27 14.286% * 0.0406% (0.51 1.0 0.02 0.02) = 0.041% HA ALA 37 - HN SER 27 14.286% * 0.0317% (0.40 1.0 0.02 0.02) = 0.032% HA ALA 91 - HN SER 27 14.286% * 0.0153% (0.19 1.0 0.02 0.02) = 0.015% Peak 814 (3.78, 8.02, 117.84 ppm): 2 chemical-shift based assignments, quality = 0.15, support = 0.156, residual support = 0.14: HD3 PRO 104 - HN SER 27 50.000% * 89.5896% (0.15 0.17 0.15) = 89.590% kept HD3 PRO 112 - HN SER 27 50.000% * 10.4104% (0.15 0.02 0.02) = 10.410% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 815 (3.69, 8.02, 117.84 ppm): 3 chemical-shift based assignments, quality = 0.777, support = 0.108, residual support = 0.0872: HB2 TRP 51 - HN SER 27 33.333% * 81.0505% (0.81 0.13 0.10) = 81.050% kept HA LYS+ 81 - HN SER 27 33.333% * 11.5763% (0.74 0.02 0.02) = 11.576% kept HB3 SER 69 - HN SER 27 33.333% * 7.3732% (0.47 0.02 0.02) = 7.373% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 816 (3.51, 8.02, 117.84 ppm): 3 chemical-shift based assignments, quality = 0.223, support = 2.56, residual support = 6.83: * O HA1 GLY 26 - HN SER 27 33.333% * 97.8465% (0.22 10.0 2.61 6.98) = 97.847% kept HA1 GLY 30 - HN SER 27 33.333% * 2.0036% (0.59 1.0 0.15 0.02) = 2.004% kept HA LYS+ 44 - HN SER 27 33.333% * 0.1499% (0.33 1.0 0.02 0.02) = 0.150% Peak 817 (3.86, 8.02, 117.84 ppm): 11 chemical-shift based assignments, quality = 0.66, support = 1.83, residual support = 5.93: * O HB3 SER 27 - HN SER 27 9.091% * 99.0945% (0.67 10.0 1.84 5.99) = 99.095% kept HB3 SER 88 - HN SER 27 9.091% * 0.1480% (0.92 1.0 0.02 0.02) = 0.148% HB2 SER 85 - HN SER 27 9.091% * 0.1444% (0.89 1.0 0.02 0.02) = 0.144% HA2 GLY 114 - HN SER 27 9.091% * 0.1403% (0.87 1.0 0.02 0.02) = 0.140% HB3 SER 77 - HN SER 27 9.091% * 0.1403% (0.87 1.0 0.02 0.02) = 0.140% HA LYS+ 117 - HN SER 27 9.091% * 0.1012% (0.63 1.0 0.02 0.02) = 0.101% HA GLU- 45 - HN SER 27 9.091% * 0.1012% (0.63 1.0 0.02 0.02) = 0.101% HD3 PRO 35 - HN SER 27 9.091% * 0.0435% (0.27 1.0 0.02 0.02) = 0.044% HD2 PRO 116 - HN SER 27 9.091% * 0.0348% (0.22 1.0 0.02 0.02) = 0.035% HD2 PRO 86 - HN SER 27 9.091% * 0.0274% (0.17 1.0 0.02 0.02) = 0.027% HA2 GLY 92 - HN SER 27 9.091% * 0.0241% (0.15 1.0 0.02 0.02) = 0.024% Peak 818 (1.71, 8.02, 117.84 ppm): 4 chemical-shift based assignments, quality = 0.709, support = 0.645, residual support = 0.947: HB2 GLN 16 - HN SER 27 25.000% * 78.0340% (0.78 0.75 1.21) = 78.034% kept HG2 PRO 52 - HN SER 27 25.000% * 20.2682% (0.51 0.30 0.02) = 20.268% kept HG13 ILE 19 - HN SER 27 25.000% * 0.9753% (0.36 0.02 0.02) = 0.975% HD3 LYS+ 55 - HN SER 27 25.000% * 0.7225% (0.27 0.02 0.02) = 0.723% Peak 819 (8.18, 8.02, 117.84 ppm): 5 chemical-shift based assignments, quality = 0.826, support = 0.717, residual support = 1.15: HN GLN 16 - HN SER 27 20.000% * 95.4744% (0.84 0.75 1.21) = 95.474% kept HN ALA 33 - HN SER 27 20.000% * 2.1313% (0.70 0.02 0.02) = 2.131% kept HN SER 41 - HN SER 27 20.000% * 1.5442% (0.51 0.02 0.02) = 1.544% kept HN GLU- 45 - HN SER 27 20.000% * 0.4529% (0.15 0.02 0.02) = 0.453% HN SER 77 - HN SER 27 20.000% * 0.3972% (0.13 0.02 0.02) = 0.397% Peak 820 (9.07, 7.25, 117.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 821 (10.29, 7.25, 117.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 822 (4.09, 8.46, 117.71 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 823 (1.79, 8.46, 117.71 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 824 (4.36, 8.29, 117.49 ppm): 8 chemical-shift based assignments, quality = 0.555, support = 2.32, residual support = 5.5: * O HA SER 27 - HN ASP- 28 12.500% * 90.1551% (0.53 10.0 2.49 6.10) = 90.155% kept HA2 GLY 26 - HN ASP- 28 12.500% * 8.2740% (0.98 1.0 0.99 0.02) = 8.274% kept HB THR 61 - HN ASP- 28 12.500% * 0.9489% (0.92 1.0 0.12 0.02) = 0.949% HA ALA 91 - HN ASP- 28 12.500% * 0.2447% (0.31 1.0 0.09 0.02) = 0.245% HA TRP 51 - HN ASP- 28 12.500% * 0.1244% (0.73 1.0 0.02 0.02) = 0.124% HA LYS+ 60 - HN ASP- 28 12.500% * 0.1177% (0.69 1.0 0.02 0.02) = 0.118% HA ALA 37 - HN ASP- 28 12.500% * 0.0970% (0.57 1.0 0.02 0.02) = 0.097% HA SER 88 - HN ASP- 28 12.500% * 0.0382% (0.22 1.0 0.02 0.02) = 0.038% Peak 825 (8.29, 8.29, 117.49 ppm): 1 diagonal assignment: * HN ASP- 28 - HN ASP- 28 (1.00) kept Peak 826 (3.85, 8.29, 117.49 ppm): 10 chemical-shift based assignments, quality = 0.389, support = 2.33, residual support = 5.57: * HB3 SER 27 - HN ASP- 28 10.000% * 91.2655% (0.37 2.55 6.10) = 91.265% kept HA LYS+ 117 - HN ASP- 28 10.000% * 1.7589% (0.92 0.02 0.02) = 1.759% kept HB3 SER 88 - HN ASP- 28 10.000% * 1.3088% (0.69 0.02 0.02) = 1.309% kept HB2 SER 85 - HN ASP- 28 10.000% * 1.2326% (0.65 0.02 0.02) = 1.233% kept HA2 GLY 114 - HN ASP- 28 10.000% * 1.1557% (0.61 0.02 0.02) = 1.156% kept HB3 SER 77 - HN ASP- 28 10.000% * 1.1557% (0.61 0.02 0.02) = 1.156% kept HA2 GLY 92 - HN ASP- 28 10.000% * 0.7151% (0.37 0.02 0.02) = 0.715% HA GLU- 45 - HN ASP- 28 10.000% * 0.6499% (0.34 0.02 0.02) = 0.650% HD3 PRO 116 - HN ASP- 28 10.000% * 0.4242% (0.22 0.02 0.02) = 0.424% HD3 PRO 86 - HN ASP- 28 10.000% * 0.3337% (0.17 0.02 0.02) = 0.334% Peak 827 (3.75, 8.29, 117.49 ppm): 2 chemical-shift based assignments, quality = 0.949, support = 0.02, residual support = 0.02: HD3 PRO 104 - HN ASP- 28 50.000% * 52.6641% (1.00 0.02 0.02) = 52.664% kept HA LEU 43 - HN ASP- 28 50.000% * 47.3359% (0.90 0.02 0.02) = 47.336% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 828 (2.11, 8.29, 117.49 ppm): 13 chemical-shift based assignments, quality = 0.417, support = 3.0, residual support = 32.0: * O HB2 ASP- 28 - HN ASP- 28 7.692% * 84.3974% (0.34 10.0 3.47 37.87) = 84.397% kept HG2 PRO 112 - HN ASP- 28 7.692% * 6.3625% (0.86 1.0 0.59 0.02) = 6.362% kept HB3 LEU 43 - HN ASP- 28 7.692% * 6.1606% (0.96 1.0 0.52 0.02) = 6.161% kept HB VAL 105 - HN ASP- 28 7.692% * 1.7785% (0.83 1.0 0.17 0.02) = 1.778% kept HB VAL 87 - HN ASP- 28 7.692% * 0.2452% (0.99 1.0 0.02 0.02) = 0.245% HB2 GLU- 56 - HN ASP- 28 7.692% * 0.2425% (0.98 1.0 0.02 0.02) = 0.243% HB3 GLU- 75 - HN ASP- 28 7.692% * 0.2343% (0.95 1.0 0.02 0.02) = 0.234% HG2 GLU- 45 - HN ASP- 28 7.692% * 0.1601% (0.65 1.0 0.02 0.02) = 0.160% HB VAL 65 - HN ASP- 28 7.692% * 0.1501% (0.61 1.0 0.02 0.02) = 0.150% HB2 MET 118 - HN ASP- 28 7.692% * 0.1017% (0.41 1.0 0.02 0.02) = 0.102% HB VAL 125 - HN ASP- 28 7.692% * 0.0688% (0.28 1.0 0.02 0.02) = 0.069% HB2 LYS+ 110 - HN ASP- 28 7.692% * 0.0551% (0.22 1.0 0.02 0.02) = 0.055% HD3 LYS+ 110 - HN ASP- 28 7.692% * 0.0433% (0.17 1.0 0.02 0.02) = 0.043% Peak 829 (2.37, 8.29, 117.49 ppm): 7 chemical-shift based assignments, quality = 0.42, support = 3.54, residual support = 35.2: * O HB3 ASP- 28 - HN ASP- 28 14.286% * 92.9356% (0.41 10.0 3.77 37.87) = 92.936% kept HG2 PRO 112 - HN ASP- 28 14.286% * 5.0752% (0.75 1.0 0.59 0.02) = 5.075% kept HB3 GLU- 50 - HN ASP- 28 14.286% * 0.8918% (0.92 1.0 0.09 0.02) = 0.892% HB2 LYS+ 78 - HN ASP- 28 14.286% * 0.7306% (0.65 1.0 0.10 0.47) = 0.731% HG3 GLU- 50 - HN ASP- 28 14.286% * 0.1810% (0.80 1.0 0.02 0.02) = 0.181% HB2 GLU- 64 - HN ASP- 28 14.286% * 0.1462% (0.65 1.0 0.02 0.02) = 0.146% HG3 GLU- 56 - HN ASP- 28 14.286% * 0.0396% (0.17 1.0 0.02 0.02) = 0.040% Peak 830 (5.97, 8.29, 117.49 ppm): 1 chemical-shift based assignment, quality = 0.486, support = 3.67, residual support = 37.9: * O HA ASP- 28 - HN ASP- 28 100.000% *100.0000% (0.49 10.0 3.67 37.87) = 100.000% kept Peak 831 (3.66, 8.29, 117.49 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 832 (2.65, 7.66, 117.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 833 (-0.75, 7.66, 117.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 834 (1.41, 7.75, 117.09 ppm): 13 chemical-shift based assignments, quality = 0.933, support = 2.38, residual support = 5.64: * O QB ALA 37 - HN ALA 37 7.692% * 89.3518% (0.96 10.0 2.46 5.85) = 89.352% kept QG2 THR 38 - HN ALA 37 7.692% * 7.4837% (0.72 1.0 2.23 5.32) = 7.484% kept QB ALA 91 - HN ALA 37 7.692% * 2.5825% (0.80 1.0 0.70 0.73) = 2.583% kept HD3 LYS+ 44 - HN ALA 37 7.692% * 0.0830% (0.89 1.0 0.02 0.02) = 0.083% HG LEU 67 - HN ALA 37 7.692% * 0.0773% (0.83 1.0 0.02 0.02) = 0.077% QB ALA 93 - HN ALA 37 7.692% * 0.0741% (0.80 1.0 0.02 0.02) = 0.074% HG13 ILE 100 - HN ALA 37 7.692% * 0.0741% (0.80 1.0 0.02 0.02) = 0.074% HD3 LYS+ 113 - HN ALA 37 7.692% * 0.0562% (0.60 1.0 0.02 0.02) = 0.056% HG3 LYS+ 55 - HN ALA 37 7.692% * 0.0524% (0.56 1.0 0.02 0.02) = 0.052% HG3 ARG+ 22 - HN ALA 37 7.692% * 0.0524% (0.56 1.0 0.02 0.02) = 0.052% HG3 LYS+ 113 - HN ALA 37 7.692% * 0.0451% (0.48 1.0 0.02 0.02) = 0.045% HD3 LYS+ 20 - HN ALA 37 7.692% * 0.0415% (0.45 1.0 0.02 0.02) = 0.042% HG LEU 90 - HN ALA 37 7.692% * 0.0257% (0.28 1.0 0.02 0.02) = 0.026% Peak 835 (7.76, 7.75, 117.09 ppm): 1 diagonal assignment: * HN ALA 37 - HN ALA 37 (0.94) kept Peak 836 (4.37, 7.75, 117.09 ppm): 10 chemical-shift based assignments, quality = 0.882, support = 2.59, residual support = 5.71: * O HA ALA 37 - HN ALA 37 10.000% * 97.3058% (0.89 10.0 2.65 5.85) = 97.306% kept HA ALA 91 - HN ALA 37 10.000% * 2.0849% (0.64 1.0 0.59 0.73) = 2.085% kept HB THR 61 - HN ALA 37 10.000% * 0.1064% (0.98 1.0 0.02 0.02) = 0.106% HA TRP 51 - HN ALA 37 10.000% * 0.1064% (0.98 1.0 0.02 0.02) = 0.106% HA LYS+ 60 - HN ALA 37 10.000% * 0.1047% (0.96 1.0 0.02 0.02) = 0.105% HA2 GLY 26 - HN ALA 37 10.000% * 0.1002% (0.92 1.0 0.02 0.02) = 0.100% HA SER 27 - HN ALA 37 10.000% * 0.0941% (0.86 1.0 0.02 0.02) = 0.094% HA SER 88 - HN ALA 37 10.000% * 0.0571% (0.52 1.0 0.02 0.02) = 0.057% HA ASN 57 - HN ALA 37 10.000% * 0.0215% (0.20 1.0 0.02 0.02) = 0.021% HA THR 95 - HN ALA 37 10.000% * 0.0190% (0.17 1.0 0.02 0.02) = 0.019% Peak 837 (2.52, 7.75, 117.09 ppm): 4 chemical-shift based assignments, quality = 0.939, support = 3.9, residual support = 20.0: * HB2 ASP- 36 - HN ALA 37 25.000% * 92.4945% (0.99 4.17 21.57) = 92.495% kept HG2 PRO 112 - HN ALA 37 25.000% * 5.8854% (0.31 0.83 0.02) = 5.885% kept HB2 ASP- 115 - HN ALA 37 25.000% * 1.3303% (0.60 0.10 0.02) = 1.330% kept HB3 PRO 59 - HN ALA 37 25.000% * 0.2898% (0.64 0.02 0.02) = 0.290% Peak 838 (8.88, 7.75, 117.09 ppm): 3 chemical-shift based assignments, quality = 0.994, support = 5.56, residual support = 21.6: * T HN ASP- 36 - HN ALA 37 33.333% * 99.9225% (1.00 10.00 5.57 21.57) = 99.923% kept HN ILE 68 - HN ALA 37 33.333% * 0.0526% (0.52 1.00 0.02 0.02) = 0.053% HN GLN 102 - HN ALA 37 33.333% * 0.0249% (0.25 1.00 0.02 0.02) = 0.025% Peak 839 (2.63, 7.75, 117.09 ppm): 6 chemical-shift based assignments, quality = 0.365, support = 2.57, residual support = 17.8: * HB3 ASP- 36 - HN ALA 37 16.667% * 82.6413% (0.37 2.99 21.57) = 82.641% kept HB2 PHE 34 - HN ALA 37 16.667% * 14.0505% (0.28 0.69 0.10) = 14.050% kept HB2 ASP- 25 - HN ALA 37 16.667% * 1.2303% (0.83 0.02 0.02) = 1.230% kept HE3 LYS+ 20 - HN ALA 37 16.667% * 1.0695% (0.72 0.02 0.02) = 1.070% kept HB3 ASP- 82 - HN ALA 37 16.667% * 0.7169% (0.48 0.02 0.02) = 0.717% HG2 MET 118 - HN ALA 37 16.667% * 0.2915% (0.20 0.02 0.02) = 0.291% Peak 840 (1.95, 7.75, 117.09 ppm): 14 chemical-shift based assignments, quality = 0.866, support = 1.94, residual support = 3.11: * HB2 PRO 35 - HN ALA 37 7.143% * 69.7357% (0.96 2.59 4.45) = 69.736% kept HB VAL 13 - HN ALA 37 7.143% * 9.7874% (0.89 0.39 0.02) = 9.787% kept HG2 PRO 112 - HN ALA 37 7.143% * 9.1831% (0.39 0.83 0.02) = 9.183% kept HG3 PRO 116 - HN ALA 37 7.143% * 7.9827% (0.92 0.31 0.02) = 7.983% kept HG3 PRO 31 - HN ALA 37 7.143% * 0.5536% (0.99 0.02 0.02) = 0.554% HB3 LYS+ 55 - HN ALA 37 7.143% * 0.5475% (0.98 0.02 0.02) = 0.548% HB2 GLU- 75 - HN ALA 37 7.143% * 0.4845% (0.86 0.02 0.02) = 0.485% HB3 GLU- 109 - HN ALA 37 7.143% * 0.4473% (0.80 0.02 0.02) = 0.447% HB2 GLU- 10 - HN ALA 37 7.143% * 0.3162% (0.56 0.02 0.02) = 0.316% HB2 PRO 116 - HN ALA 37 7.143% * 0.3162% (0.56 0.02 0.02) = 0.316% HB VAL 73 - HN ALA 37 7.143% * 0.2096% (0.37 0.02 0.02) = 0.210% HG3 PRO 104 - HN ALA 37 7.143% * 0.1724% (0.31 0.02 0.02) = 0.172% HB ILE 29 - HN ALA 37 7.143% * 0.1393% (0.25 0.02 0.02) = 0.139% HB3 GLU- 56 - HN ALA 37 7.143% * 0.1244% (0.22 0.02 0.02) = 0.124% Peak 841 (4.01, 7.75, 117.09 ppm): 4 chemical-shift based assignments, quality = 0.932, support = 1.18, residual support = 4.08: HA THR 38 - HN ALA 37 25.000% * 76.6002% (0.99 1.43 5.32) = 76.600% kept HA VAL 13 - HN ALA 37 25.000% * 19.3018% (0.86 0.41 0.02) = 19.302% kept HA1 GLY 92 - HN ALA 37 25.000% * 3.1299% (0.31 0.19 0.02) = 3.130% kept HB THR 95 - HN ALA 37 25.000% * 0.9682% (0.89 0.02 0.02) = 0.968% Peak 842 (8.25, 8.25, 116.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 843 (4.30, 8.25, 116.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 844 (8.05, 8.04, 116.98 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 845 (3.19, 8.04, 116.98 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 846 (8.10, 8.11, 116.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 847 (4.18, 8.11, 116.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 848 (4.41, 8.11, 116.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 849 (4.92, 8.11, 116.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 850 (4.74, 8.11, 116.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 851 (9.07, 9.07, 116.60 ppm): 1 diagonal assignment: * HN GLU- 54 - HN GLU- 54 (0.95) kept Peak 852 (4.23, 9.07, 116.60 ppm): 16 chemical-shift based assignments, quality = 0.937, support = 3.79, residual support = 18.3: * O HA GLU- 54 - HN GLU- 54 6.250% * 99.0912% (0.95 10.0 3.82 18.51) = 99.091% kept HA ALA 42 - HN GLU- 54 6.250% * 0.1024% (0.98 1.0 0.02 0.02) = 0.102% HA SER 49 - HN GLU- 54 6.250% * 0.1006% (0.96 1.0 0.02 0.02) = 0.101% HA GLU- 10 - HN GLU- 54 6.250% * 0.0991% (0.95 1.0 0.02 0.02) = 0.099% HA LYS+ 108 - HN GLU- 54 6.250% * 0.0991% (0.95 1.0 0.02 0.02) = 0.099% HA GLU- 109 - HN GLU- 54 6.250% * 0.0891% (0.85 1.0 0.02 0.02) = 0.089% HA PRO 59 - HN GLU- 54 6.250% * 0.0785% (0.75 1.0 0.02 0.02) = 0.078% HA GLU- 12 - HN GLU- 54 6.250% * 0.0581% (0.55 1.0 0.02 0.02) = 0.058% HA ALA 11 - HN GLU- 54 6.250% * 0.0540% (0.52 1.0 0.02 0.02) = 0.054% HA ASN 76 - HN GLU- 54 6.250% * 0.0460% (0.44 1.0 0.02 0.02) = 0.046% HB3 SER 49 - HN GLU- 54 6.250% * 0.0456% (0.44 1.0 0.02 0.02) = 0.046% HA GLU- 107 - HN GLU- 54 6.250% * 0.0422% (0.40 1.0 0.02 0.02) = 0.042% HA ASN 119 - HN GLU- 54 6.250% * 0.0422% (0.40 1.0 0.02 0.02) = 0.042% HA GLU- 75 - HN GLU- 54 6.250% * 0.0180% (0.17 1.0 0.02 0.02) = 0.018% HA ASP- 82 - HN GLU- 54 6.250% * 0.0180% (0.17 1.0 0.02 0.62) = 0.018% HA GLU- 64 - HN GLU- 54 6.250% * 0.0158% (0.15 1.0 0.02 0.02) = 0.016% Peak 853 (7.81, 9.07, 116.60 ppm): 5 chemical-shift based assignments, quality = 0.961, support = 2.97, residual support = 12.0: * T HN LYS+ 55 - HN GLU- 54 20.000% * 97.6413% (0.97 10.00 3.02 12.25) = 97.641% kept HN LYS+ 63 - HN GLU- 54 20.000% * 2.2369% (0.55 1.00 0.80 0.02) = 2.237% kept HN ALA 93 - HN GLU- 54 20.000% * 0.0753% (0.75 1.00 0.02 0.02) = 0.075% HN VAL 87 - HN GLU- 54 20.000% * 0.0246% (0.24 1.00 0.02 0.02) = 0.025% HN THR 46 - HN GLU- 54 20.000% * 0.0219% (0.22 1.00 0.02 0.02) = 0.022% Peak 854 (2.22, 9.07, 116.60 ppm): 14 chemical-shift based assignments, quality = 0.868, support = 3.19, residual support = 6.73: * HB2 PRO 52 - HN GLU- 54 7.143% * 78.2201% (0.88 3.91 8.58) = 78.220% kept HG2 PRO 112 - HN GLU- 54 7.143% * 16.7166% (0.98 0.75 0.12) = 16.717% kept HG3 GLN 102 - HN GLU- 54 7.143% * 1.7111% (0.95 0.08 0.02) = 1.711% kept HB2 GLU- 50 - HN GLU- 54 7.143% * 0.4448% (0.98 0.02 0.02) = 0.445% HG3 GLU- 18 - HN GLU- 54 7.143% * 0.4448% (0.98 0.02 0.02) = 0.445% HA1 GLY 58 - HN GLU- 54 7.143% * 0.4302% (0.95 0.02 0.02) = 0.430% HG3 MET 97 - HN GLU- 54 7.143% * 0.4302% (0.95 0.02 0.02) = 0.430% HG3 MET 126 - HN GLU- 54 7.143% * 0.3998% (0.88 0.02 0.02) = 0.400% HG3 GLU- 109 - HN GLU- 54 7.143% * 0.3998% (0.88 0.02 0.02) = 0.400% HB3 GLU- 45 - HN GLU- 54 7.143% * 0.2170% (0.48 0.02 0.02) = 0.217% HG3 GLN 16 - HN GLU- 54 7.143% * 0.1833% (0.40 0.02 0.02) = 0.183% HG3 GLU- 10 - HN GLU- 54 7.143% * 0.1673% (0.37 0.02 0.02) = 0.167% HG2 MET 126 - HN GLU- 54 7.143% * 0.1239% (0.27 0.02 0.02) = 0.124% HB3 ASN 15 - HN GLU- 54 7.143% * 0.1112% (0.24 0.02 0.02) = 0.111% Peak 855 (2.05, 9.07, 116.60 ppm): 14 chemical-shift based assignments, quality = 0.304, support = 2.48, residual support = 16.0: * O HB3 GLU- 54 - HN GLU- 54 7.143% * 86.2305% (0.27 10.0 2.80 18.51) = 86.231% kept HG2 PRO 112 - HN GLU- 54 7.143% * 8.0746% (0.68 1.0 0.75 0.12) = 8.075% kept HB ILE 101 - HN GLU- 54 7.143% * 1.6036% (0.40 1.0 0.25 0.02) = 1.604% kept HB VAL 62 - HN GLU- 54 7.143% * 1.4451% (0.52 1.0 0.18 0.02) = 1.445% kept HG3 GLU- 64 - HN GLU- 54 7.143% * 0.8478% (0.30 1.0 0.18 0.02) = 0.848% HB3 GLU- 64 - HN GLU- 54 7.143% * 0.5436% (0.19 1.0 0.18 0.02) = 0.544% HB2 GLU- 45 - HN GLU- 54 7.143% * 0.3074% (0.97 1.0 0.02 0.02) = 0.307% HG3 PRO 86 - HN GLU- 54 7.143% * 0.2934% (0.93 1.0 0.02 0.02) = 0.293% HB3 GLU- 75 - HN GLU- 54 7.143% * 0.2314% (0.73 1.0 0.02 0.02) = 0.231% HB3 LYS+ 110 - HN GLU- 54 7.143% * 0.1881% (0.59 1.0 0.02 0.02) = 0.188% HB3 LYS+ 120 - HN GLU- 54 7.143% * 0.0773% (0.24 1.0 0.02 0.02) = 0.077% HB3 GLU- 10 - HN GLU- 54 7.143% * 0.0614% (0.19 1.0 0.02 0.02) = 0.061% HB3 PRO 31 - HN GLU- 54 7.143% * 0.0479% (0.15 1.0 0.02 0.02) = 0.048% HG2 GLN 16 - HN GLU- 54 7.143% * 0.0479% (0.15 1.0 0.02 0.02) = 0.048% Peak 856 (1.91, 9.07, 116.60 ppm): 13 chemical-shift based assignments, quality = 0.86, support = 3.97, residual support = 26.0: * HB3 ARG+ 53 - HN GLU- 54 7.692% * 81.6157% (0.90 4.77 31.86) = 81.616% kept HB3 CYS 123 - HN GLU- 54 7.692% * 6.5762% (0.78 0.44 0.30) = 6.576% kept HD3 LYS+ 63 - HN GLU- 54 7.692% * 4.8967% (0.90 0.29 0.02) = 4.897% kept HG2 PRO 112 - HN GLU- 54 7.692% * 4.0035% (0.28 0.75 0.12) = 4.003% kept HB3 GLN 102 - HN GLU- 54 7.692% * 1.4712% (0.98 0.08 0.02) = 1.471% kept HB2 PRO 112 - HN GLU- 54 7.692% * 0.3702% (0.98 0.02 0.12) = 0.370% HB2 LEU 23 - HN GLU- 54 7.692% * 0.2547% (0.67 0.02 0.02) = 0.255% HB3 GLN 16 - HN GLU- 54 7.692% * 0.2099% (0.55 0.02 0.02) = 0.210% HG2 GLU- 18 - HN GLU- 54 7.692% * 0.2099% (0.55 0.02 0.02) = 0.210% HB ILE 29 - HN GLU- 54 7.692% * 0.1804% (0.48 0.02 0.02) = 0.180% HB2 GLU- 10 - HN GLU- 54 7.692% * 0.0734% (0.19 0.02 0.02) = 0.073% HB2 PRO 116 - HN GLU- 54 7.692% * 0.0734% (0.19 0.02 0.02) = 0.073% HG3 LYS+ 120 - HN GLU- 54 7.692% * 0.0649% (0.17 0.02 0.02) = 0.065% Peak 857 (4.12, 9.07, 116.60 ppm): 9 chemical-shift based assignments, quality = 0.706, support = 4.51, residual support = 31.1: * O HA ARG+ 53 - HN GLU- 54 11.111% * 97.6633% (0.71 10.0 4.61 31.86) = 97.663% kept HA LYS+ 63 - HN GLU- 54 11.111% * 1.8275% (0.59 1.0 0.45 0.02) = 1.827% kept HA THR 46 - HN GLU- 54 11.111% * 0.1272% (0.93 1.0 0.02 0.02) = 0.127% HB3 SER 49 - HN GLU- 54 11.111% * 0.1202% (0.88 1.0 0.02 0.02) = 0.120% HA ALA 70 - HN GLU- 54 11.111% * 0.0870% (0.63 1.0 0.02 0.02) = 0.087% HA LYS+ 110 - HN GLU- 54 11.111% * 0.0603% (0.44 1.0 0.02 0.02) = 0.060% HA2 GLY 71 - HN GLU- 54 11.111% * 0.0505% (0.37 1.0 0.02 0.02) = 0.050% HA THR 24 - HN GLU- 54 11.111% * 0.0374% (0.27 1.0 0.02 0.02) = 0.037% HB2 SER 88 - HN GLU- 54 11.111% * 0.0266% (0.19 1.0 0.02 0.02) = 0.027% Peak 858 (8.43, 9.07, 116.60 ppm): 4 chemical-shift based assignments, quality = 0.968, support = 4.48, residual support = 22.3: * T HN ARG+ 53 - HN GLU- 54 25.000% * 69.8100% (0.98 10.00 6.06 31.86) = 69.810% kept T HN CYS 123 - HN GLU- 54 25.000% * 29.3974% (0.97 10.00 0.85 0.30) = 29.397% kept HN LEU 74 - HN GLU- 54 25.000% * 0.7473% (0.52 1.00 0.41 0.02) = 0.747% HN LYS+ 117 - HN GLU- 54 25.000% * 0.0453% (0.63 1.00 0.02 0.02) = 0.045% Peak 859 (1.78, 9.07, 116.60 ppm): 10 chemical-shift based assignments, quality = 0.897, support = 3.77, residual support = 21.2: * HG3 ARG+ 53 - HN GLU- 54 10.000% * 66.5351% (0.95 5.34 31.86) = 66.535% kept HB2 ARG+ 84 - HN GLU- 54 10.000% * 11.2212% (0.98 0.87 0.02) = 11.221% kept HG2 ARG+ 84 - HN GLU- 54 10.000% * 7.9591% (0.97 0.62 0.02) = 7.959% kept HG3 LYS+ 63 - HN GLU- 54 10.000% * 6.2677% (0.85 0.56 0.02) = 6.268% kept HB3 LYS+ 63 - HN GLU- 54 10.000% * 3.6468% (0.44 0.63 0.02) = 3.647% kept HD3 PRO 59 - HN GLU- 54 10.000% * 1.8980% (0.40 0.36 0.02) = 1.898% kept HB2 LEU 17 - HN GLU- 54 10.000% * 1.2278% (0.27 0.34 0.02) = 1.228% kept HG2 PRO 31 - HN GLU- 54 10.000% * 0.8756% (0.82 0.08 0.02) = 0.876% HB3 GLU- 18 - HN GLU- 54 10.000% * 0.2529% (0.96 0.02 0.02) = 0.253% HB3 LYS+ 108 - HN GLU- 54 10.000% * 0.1157% (0.44 0.02 0.02) = 0.116% Peak 860 (4.02, 7.87, 116.41 ppm): 5 chemical-shift based assignments, quality = 0.681, support = 3.98, residual support = 20.2: * O HA THR 38 - HN THR 38 20.000% * 99.2239% (0.69 10.0 4.01 20.35) = 99.224% kept HA VAL 13 - HN THR 38 20.000% * 0.6417% (0.98 1.0 0.09 0.02) = 0.642% HB THR 95 - HN THR 38 20.000% * 0.0703% (0.49 1.0 0.02 0.02) = 0.070% HB3 SER 85 - HN THR 38 20.000% * 0.0402% (0.28 1.0 0.02 0.02) = 0.040% HB3 SER 49 - HN THR 38 20.000% * 0.0239% (0.17 1.0 0.02 0.02) = 0.024% Peak 861 (7.86, 7.87, 116.41 ppm): 1 diagonal assignment: * HN THR 38 - HN THR 38 (0.76) kept Peak 862 (1.41, 7.87, 116.41 ppm): 14 chemical-shift based assignments, quality = 0.769, support = 2.3, residual support = 9.85: * QB ALA 37 - HN THR 38 7.143% * 40.9822% (1.00 2.16 5.32) = 40.982% kept QG2 THR 38 - HN THR 38 7.143% * 37.1338% (0.57 3.45 20.35) = 37.134% kept QB ALA 91 - HN THR 38 7.143% * 11.5255% (0.65 0.94 0.90) = 11.525% kept HG LEU 67 - HN THR 38 7.143% * 7.0794% (0.94 0.39 0.10) = 7.079% kept HD3 LYS+ 44 - HN THR 38 7.143% * 1.1414% (0.76 0.08 0.02) = 1.141% kept HG13 ILE 68 - HN THR 38 7.143% * 0.5269% (0.22 0.12 0.02) = 0.527% QB ALA 93 - HN THR 38 7.143% * 0.3507% (0.92 0.02 0.02) = 0.351% HG13 ILE 100 - HN THR 38 7.143% * 0.3507% (0.92 0.02 0.02) = 0.351% HD3 LYS+ 20 - HN THR 38 7.143% * 0.2304% (0.61 0.02 0.11) = 0.230% HD3 LYS+ 113 - HN THR 38 7.143% * 0.1703% (0.45 0.02 0.02) = 0.170% HG3 LYS+ 55 - HN THR 38 7.143% * 0.1562% (0.41 0.02 0.02) = 0.156% HG3 ARG+ 22 - HN THR 38 7.143% * 0.1562% (0.41 0.02 0.02) = 0.156% HG3 LYS+ 113 - HN THR 38 7.143% * 0.1296% (0.34 0.02 0.02) = 0.130% HG LEU 90 - HN THR 38 7.143% * 0.0665% (0.17 0.02 0.02) = 0.067% Peak 863 (6.61, 7.87, 116.41 ppm): 1 chemical-shift based assignment, quality = 0.135, support = 0.02, residual support = 0.02: HE21 GLN 102 - HN THR 38 100.000% *100.0000% (0.14 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 864 (0.90, 7.87, 116.41 ppm): 10 chemical-shift based assignments, quality = 0.882, support = 0.997, residual support = 0.589: HG3 LYS+ 117 - HN THR 38 10.000% * 32.6133% (0.98 1.40 0.40) = 32.613% kept * QG1 VAL 80 - HN THR 38 10.000% * 22.4033% (0.73 1.30 0.97) = 22.403% kept QG2 VAL 40 - HN THR 38 10.000% * 18.8937% (0.98 0.81 0.90) = 18.894% kept QD1 LEU 67 - HN THR 38 10.000% * 8.8716% (1.00 0.37 0.10) = 8.872% kept QG1 VAL 47 - HN THR 38 10.000% * 7.8611% (1.00 0.33 0.02) = 7.861% kept QG2 VAL 80 - HN THR 38 10.000% * 6.0438% (0.45 0.57 0.97) = 6.044% kept QG2 VAL 87 - HN THR 38 10.000% * 2.1502% (0.98 0.09 0.02) = 2.150% kept HG12 ILE 68 - HN THR 38 10.000% * 0.8227% (0.28 0.12 0.02) = 0.823% QG2 VAL 125 - HN THR 38 10.000% * 0.1783% (0.37 0.02 0.02) = 0.178% HG3 LYS+ 110 - HN THR 38 10.000% * 0.1620% (0.34 0.02 0.02) = 0.162% Peak 865 (4.37, 7.87, 116.41 ppm): 11 chemical-shift based assignments, quality = 0.936, support = 1.81, residual support = 5.23: * O HA ALA 37 - HN THR 38 9.091% * 98.0914% (0.94 10.0 1.84 5.32) = 98.091% kept HA ALA 91 - HN THR 38 9.091% * 1.2358% (0.73 1.0 0.30 0.90) = 1.236% kept HA TRP 51 - HN THR 38 9.091% * 0.1127% (1.00 1.0 0.02 0.02) = 0.113% HA LYS+ 60 - HN THR 38 9.091% * 0.1119% (0.99 1.0 0.02 0.02) = 0.112% HB THR 61 - HN THR 38 9.091% * 0.1068% (0.94 1.0 0.02 0.02) = 0.107% HA SER 27 - HN THR 38 9.091% * 0.1042% (0.92 1.0 0.02 0.02) = 0.104% HA2 GLY 26 - HN THR 38 9.091% * 0.0980% (0.87 1.0 0.02 0.02) = 0.098% HA SER 88 - HN THR 38 9.091% * 0.0685% (0.61 1.0 0.02 0.02) = 0.068% HA ASN 57 - HN THR 38 9.091% * 0.0282% (0.25 1.0 0.02 0.02) = 0.028% HA THR 95 - HN THR 38 9.091% * 0.0251% (0.22 1.0 0.02 0.02) = 0.025% HA PRO 104 - HN THR 38 9.091% * 0.0174% (0.15 1.0 0.02 0.02) = 0.017% Peak 866 (8.57, 7.87, 116.41 ppm): 4 chemical-shift based assignments, quality = 0.838, support = 2.67, residual support = 13.1: * T HN THR 39 - HN THR 38 25.000% * 87.8081% (0.83 10.00 2.85 14.77) = 87.808% kept HN VAL 80 - HN THR 38 25.000% * 8.0275% (0.87 1.00 1.76 0.97) = 8.027% kept HN VAL 73 - HN THR 38 25.000% * 3.7171% (0.96 1.00 0.73 0.38) = 3.717% kept HN LYS+ 20 - HN THR 38 25.000% * 0.4474% (0.25 1.00 0.34 0.11) = 0.447% Peak 867 (2.25, 7.87, 116.41 ppm): 15 chemical-shift based assignments, quality = 0.491, support = 0.308, residual support = 0.477: * HB VAL 80 - HN THR 38 6.667% * 39.1042% (0.45 0.50 0.97) = 39.104% kept HB3 LYS+ 117 - HN THR 38 6.667% * 22.3213% (0.37 0.34 0.40) = 22.321% kept HB3 PRO 112 - HN THR 38 6.667% * 12.1706% (0.27 0.26 0.02) = 12.171% kept HG2 PRO 112 - HN THR 38 6.667% * 3.4526% (0.99 0.02 0.02) = 3.453% kept HB3 ASN 15 - HN THR 38 6.667% * 3.3651% (0.96 0.02 0.02) = 3.365% kept HG3 GLU- 107 - HN THR 38 6.667% * 3.0246% (0.87 0.02 0.02) = 3.025% kept HG3 GLU- 10 - HN THR 38 6.667% * 3.0246% (0.87 0.02 0.02) = 3.025% kept HG3 GLN 16 - HN THR 38 6.667% * 2.9125% (0.83 0.02 0.02) = 2.913% kept HG3 GLU- 54 - HN THR 38 6.667% * 2.7921% (0.80 0.02 0.02) = 2.792% kept HB3 GLU- 45 - HN THR 38 6.667% * 2.6648% (0.76 0.02 0.02) = 2.665% kept HG3 GLU- 75 - HN THR 38 6.667% * 1.3087% (0.37 0.02 0.02) = 1.309% kept HB2 PRO 52 - HN THR 38 6.667% * 1.1894% (0.34 0.02 0.02) = 1.189% kept HG3 GLU- 109 - HN THR 38 6.667% * 1.1894% (0.34 0.02 0.02) = 1.189% kept HG3 GLN 102 - HN THR 38 6.667% * 0.8695% (0.25 0.02 0.02) = 0.869% HG3 GLU- 18 - HN THR 38 6.667% * 0.6107% (0.17 0.02 0.02) = 0.611% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 868 (7.78, 7.79, 116.60 ppm): 1 diagonal assignment: * HN VAL 87 - HN VAL 87 (0.96) kept Peak 869 (0.90, 7.79, 116.60 ppm): 10 chemical-shift based assignments, quality = 0.978, support = 4.35, residual support = 18.6: * QG2 VAL 87 - HN VAL 87 10.000% * 89.3326% (1.00 4.83 20.87) = 89.333% kept QD1 LEU 67 - HN VAL 87 10.000% * 7.7919% (0.94 0.44 0.02) = 7.792% kept QG2 VAL 40 - HN VAL 87 10.000% * 1.4007% (1.00 0.08 0.02) = 1.401% kept QG1 VAL 47 - HN VAL 87 10.000% * 0.3635% (0.98 0.02 0.02) = 0.364% HG3 LYS+ 117 - HN VAL 87 10.000% * 0.3326% (0.90 0.02 0.02) = 0.333% QG1 VAL 80 - HN VAL 87 10.000% * 0.3217% (0.87 0.02 0.02) = 0.322% QG2 VAL 125 - HN VAL 87 10.000% * 0.1951% (0.53 0.02 0.02) = 0.195% QG2 VAL 80 - HN VAL 87 10.000% * 0.1145% (0.31 0.02 0.02) = 0.114% HG3 LYS+ 110 - HN VAL 87 10.000% * 0.0826% (0.22 0.02 0.02) = 0.083% HG12 ILE 68 - HN VAL 87 10.000% * 0.0649% (0.17 0.02 0.02) = 0.065% Peak 870 (4.46, 7.79, 116.60 ppm): 8 chemical-shift based assignments, quality = 0.815, support = 1.28, residual support = 0.306: HA ILE 100 - HN VAL 87 12.500% * 28.8372% (0.92 1.32 0.35) = 28.837% kept HA GLN 102 - HN VAL 87 12.500% * 28.8372% (0.92 1.32 0.35) = 28.837% kept HA MET 126 - HN VAL 87 12.500% * 22.7037% (0.76 1.26 0.28) = 22.704% kept HA LYS+ 32 - HN VAL 87 12.500% * 17.5482% (0.57 1.31 0.21) = 17.548% kept HA MET 118 - HN VAL 87 12.500% * 1.5186% (0.69 0.09 0.02) = 1.519% kept HA GLU- 50 - HN VAL 87 12.500% * 0.4095% (0.87 0.02 0.02) = 0.409% HA SER 77 - HN VAL 87 12.500% * 0.0728% (0.15 0.02 0.02) = 0.073% HA CYS 123 - HN VAL 87 12.500% * 0.0728% (0.15 0.02 0.02) = 0.073% Reference assignment not found: HA PRO 86 - HN VAL 87 Peak 871 (4.15, 7.79, 116.60 ppm): 8 chemical-shift based assignments, quality = 0.902, support = 3.99, residual support = 19.7: * O HA VAL 87 - HN VAL 87 12.500% * 87.7405% (0.90 10.0 4.21 20.87) = 87.740% kept HB2 SER 88 - HN VAL 87 12.500% * 11.8547% (0.98 1.0 2.47 11.74) = 11.855% kept HB3 SER 49 - HN VAL 87 12.500% * 0.0978% (1.00 1.0 0.02 0.02) = 0.098% HA2 GLY 71 - HN VAL 87 12.500% * 0.0817% (0.83 1.0 0.02 0.02) = 0.082% HA LYS+ 110 - HN VAL 87 12.500% * 0.0748% (0.76 1.0 0.02 0.02) = 0.075% HB THR 106 - HN VAL 87 12.500% * 0.0515% (0.53 1.0 0.02 0.02) = 0.051% HA VAL 105 - HN VAL 87 12.500% * 0.0515% (0.53 1.0 0.02 0.02) = 0.051% HA ARG+ 53 - HN VAL 87 12.500% * 0.0476% (0.49 1.0 0.02 0.02) = 0.048% Peak 872 (2.11, 7.79, 116.60 ppm): 14 chemical-shift based assignments, quality = 0.814, support = 3.34, residual support = 20.2: * O HB VAL 87 - HN VAL 87 7.143% * 96.5800% (0.83 10.0 3.43 20.87) = 96.580% kept HG2 GLU- 45 - HN VAL 87 7.143% * 2.2683% (0.37 1.0 1.05 1.57) = 2.268% kept HB2 MET 118 - HN VAL 87 7.143% * 0.3720% (0.69 1.0 0.09 0.02) = 0.372% HB3 LEU 43 - HN VAL 87 7.143% * 0.1133% (0.98 1.0 0.02 0.02) = 0.113% HB3 GLU- 75 - HN VAL 87 7.143% * 0.1131% (0.98 1.0 0.02 0.02) = 0.113% HB VAL 65 - HN VAL 87 7.143% * 0.1003% (0.87 1.0 0.02 0.02) = 0.100% HG2 PRO 112 - HN VAL 87 7.143% * 0.0981% (0.85 1.0 0.02 0.02) = 0.098% HB2 GLU- 56 - HN VAL 87 7.143% * 0.0926% (0.80 1.0 0.02 0.02) = 0.093% HB VAL 105 - HN VAL 87 7.143% * 0.0655% (0.57 1.0 0.02 0.02) = 0.065% HB VAL 125 - HN VAL 87 7.143% * 0.0608% (0.53 1.0 0.02 0.02) = 0.061% HB2 LYS+ 110 - HN VAL 87 7.143% * 0.0518% (0.45 1.0 0.02 0.02) = 0.052% HD3 LYS+ 110 - HN VAL 87 7.143% * 0.0434% (0.37 1.0 0.02 0.02) = 0.043% HG2 GLN 16 - HN VAL 87 7.143% * 0.0229% (0.20 1.0 0.02 0.02) = 0.023% HB2 ASP- 28 - HN VAL 87 7.143% * 0.0178% (0.15 1.0 0.02 0.02) = 0.018% Peak 873 (3.85, 7.79, 116.60 ppm): 10 chemical-shift based assignments, quality = 0.551, support = 2.06, residual support = 9.21: HB3 SER 88 - HN VAL 87 10.000% * 43.2968% (0.69 2.26 11.74) = 43.297% kept * HD3 PRO 86 - HN VAL 87 10.000% * 19.4079% (0.17 3.97 20.31) = 19.408% kept HB2 SER 85 - HN VAL 87 10.000% * 17.6617% (0.65 0.98 0.12) = 17.662% kept HA GLU- 45 - HN VAL 87 10.000% * 10.3246% (0.34 1.08 1.57) = 10.325% kept HA LYS+ 117 - HN VAL 87 10.000% * 7.6309% (0.92 0.30 0.02) = 7.631% kept HD3 PRO 116 - HN VAL 87 10.000% * 0.5820% (0.22 0.09 0.02) = 0.582% HA2 GLY 114 - HN VAL 87 10.000% * 0.3386% (0.61 0.02 0.02) = 0.339% HB3 SER 77 - HN VAL 87 10.000% * 0.3386% (0.61 0.02 0.02) = 0.339% HB3 SER 27 - HN VAL 87 10.000% * 0.2095% (0.37 0.02 0.02) = 0.209% HA2 GLY 92 - HN VAL 87 10.000% * 0.2095% (0.37 0.02 0.02) = 0.209% Peak 874 (8.11, 7.79, 116.60 ppm): 5 chemical-shift based assignments, quality = 0.92, support = 3.27, residual support = 11.7: * T HN SER 88 - HN VAL 87 20.000% * 99.8097% (0.92 10.00 3.27 11.74) = 99.810% kept HN GLY 26 - HN VAL 87 20.000% * 0.0826% (0.76 1.00 0.02 0.02) = 0.083% HN VAL 122 - HN VAL 87 20.000% * 0.0743% (0.69 1.00 0.02 0.02) = 0.074% HN CYS 121 - HN VAL 87 20.000% * 0.0167% (0.15 1.00 0.02 0.02) = 0.017% HN LYS+ 110 - HN VAL 87 20.000% * 0.0167% (0.15 1.00 0.02 0.02) = 0.017% Peak 875 (2.32, 7.79, 116.60 ppm): 6 chemical-shift based assignments, quality = 0.987, support = 3.7, residual support = 20.3: * O HB3 PRO 86 - HN VAL 87 16.667% * 99.6991% (0.99 10.0 3.71 20.31) = 99.699% kept HB2 TYR 83 - HN VAL 87 16.667% * 0.0952% (0.94 1.0 0.02 0.02) = 0.095% HG2 PRO 112 - HN VAL 87 16.667% * 0.0880% (0.87 1.0 0.02 0.02) = 0.088% HG3 GLU- 56 - HN VAL 87 16.667% * 0.0490% (0.49 1.0 0.02 0.02) = 0.049% HG2 GLU- 64 - HN VAL 87 16.667% * 0.0378% (0.37 1.0 0.02 0.02) = 0.038% HB3 PRO 116 - HN VAL 87 16.667% * 0.0310% (0.31 1.0 0.02 0.02) = 0.031% Peak 876 (7.31, 7.66, 116.50 ppm): 7 chemical-shift based assignments, quality = 0.884, support = 3.8, residual support = 10.8: * HN ARG+ 84 - HN TYR 83 14.286% * 77.9928% (0.96 4.73 13.82) = 77.993% kept QD PHE 34 - HN TYR 83 14.286% * 7.5970% (0.90 0.50 0.02) = 7.597% kept HZ2 TRP 51 - HN TYR 83 14.286% * 5.1830% (0.45 0.68 0.02) = 5.183% kept QE PHE 34 - HN TYR 83 14.286% * 4.0491% (0.45 0.53 0.02) = 4.049% kept HN ILE 48 - HN TYR 83 14.286% * 2.4871% (0.49 0.30 0.02) = 2.487% kept HZ PHE 34 - HN TYR 83 14.286% * 2.3678% (0.45 0.31 0.02) = 2.368% kept HN VAL 47 - HN TYR 83 14.286% * 0.3232% (0.94 0.02 0.02) = 0.323% Peak 877 (7.66, 7.66, 116.50 ppm): 1 diagonal assignment: * HN TYR 83 - HN TYR 83 (0.92) kept Peak 878 (2.32, 7.66, 116.50 ppm): 6 chemical-shift based assignments, quality = 0.799, support = 4.56, residual support = 38.9: * O HB2 TYR 83 - HN TYR 83 16.667% * 97.6617% (0.80 10.0 4.66 39.83) = 97.662% kept HG2 PRO 112 - HN TYR 83 16.667% * 2.0526% (0.88 1.0 0.38 0.02) = 2.053% kept HB3 PRO 86 - HN TYR 83 16.667% * 0.1195% (0.98 1.0 0.02 0.02) = 0.120% HG2 GLU- 64 - HN TYR 83 16.667% * 0.0691% (0.57 1.0 0.02 0.02) = 0.069% HB3 PRO 116 - HN TYR 83 16.667% * 0.0594% (0.49 1.0 0.02 0.02) = 0.059% HG3 GLU- 56 - HN TYR 83 16.667% * 0.0376% (0.31 1.0 0.02 0.02) = 0.038% Peak 879 (7.05, 7.66, 116.50 ppm): 2 chemical-shift based assignments, quality = 0.862, support = 4.05, residual support = 39.6: * QD TYR 83 - HN TYR 83 50.000% * 99.4944% (0.87 4.07 39.83) = 99.494% kept QE PHE 21 - HN TYR 83 50.000% * 0.5056% (0.90 0.02 0.02) = 0.506% Peak 880 (3.36, 7.66, 116.50 ppm): 1 chemical-shift based assignment, quality = 0.763, support = 4.66, residual support = 39.8: * O HB3 TYR 83 - HN TYR 83 100.000% *100.0000% (0.76 10.0 4.66 39.83) = 100.000% kept Peak 881 (4.21, 7.66, 116.50 ppm): 9 chemical-shift based assignments, quality = 0.892, support = 4.28, residual support = 16.1: * O HA ASP- 82 - HN TYR 83 11.111% * 99.5662% (0.90 10.0 4.30 16.14) = 99.566% kept HA GLU- 12 - HN TYR 83 11.111% * 0.1050% (0.94 1.0 0.02 0.02) = 0.105% HA GLU- 109 - HN TYR 83 11.111% * 0.0763% (0.69 1.0 0.02 0.02) = 0.076% HB3 SER 49 - HN TYR 83 11.111% * 0.0698% (0.63 1.0 0.02 0.02) = 0.070% HA SER 49 - HN TYR 83 11.111% * 0.0540% (0.49 1.0 0.02 0.02) = 0.054% HA ALA 42 - HN TYR 83 11.111% * 0.0456% (0.41 1.0 0.02 0.02) = 0.046% HA GLU- 10 - HN TYR 83 11.111% * 0.0277% (0.25 1.0 0.02 0.02) = 0.028% HA LYS+ 108 - HN TYR 83 11.111% * 0.0277% (0.25 1.0 0.02 0.02) = 0.028% HA GLU- 54 - HN TYR 83 11.111% * 0.0277% (0.25 1.0 0.02 0.02) = 0.028% Peak 882 (2.16, 7.66, 116.50 ppm): 10 chemical-shift based assignments, quality = 0.73, support = 3.83, residual support = 13.3: * HB2 ASP- 82 - HN TYR 83 10.000% * 82.5353% (0.73 4.57 16.14) = 82.535% kept HG2 PRO 112 - HN TYR 83 10.000% * 9.0890% (0.96 0.38 0.02) = 9.089% kept HB VAL 47 - HN TYR 83 10.000% * 6.4188% (0.69 0.38 0.02) = 6.419% kept HG2 PRO 104 - HN TYR 83 10.000% * 0.4966% (1.00 0.02 0.02) = 0.497% HG2 GLN 102 - HN TYR 83 10.000% * 0.3804% (0.76 0.02 0.02) = 0.380% HB3 PRO 104 - HN TYR 83 10.000% * 0.2619% (0.53 0.02 0.02) = 0.262% HB3 LYS+ 78 - HN TYR 83 10.000% * 0.2619% (0.53 0.02 0.75) = 0.262% HB VAL 99 - HN TYR 83 10.000% * 0.2423% (0.49 0.02 0.02) = 0.242% HB3 GLU- 75 - HN TYR 83 10.000% * 0.2372% (0.48 0.02 0.17) = 0.237% HB2 ASP- 28 - HN TYR 83 10.000% * 0.0768% (0.15 0.02 0.02) = 0.077% Peak 883 (2.64, 7.66, 116.50 ppm): 5 chemical-shift based assignments, quality = 0.828, support = 4.13, residual support = 14.8: * HB3 ASP- 82 - HN TYR 83 20.000% * 91.4174% (0.87 4.46 16.14) = 91.417% kept HB2 ASP- 25 - HN TYR 83 20.000% * 7.9543% (0.45 0.75 0.02) = 7.954% kept HB3 ASP- 36 - HN TYR 83 20.000% * 0.3616% (0.76 0.02 0.02) = 0.362% HE3 LYS+ 20 - HN TYR 83 20.000% * 0.1614% (0.34 0.02 0.02) = 0.161% HE2 LYS+ 120 - HN TYR 83 20.000% * 0.1053% (0.22 0.02 0.02) = 0.105% Peak 884 (7.50, 7.66, 116.50 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 0.02, residual support = 0.02: HE3 TRP 51 - HN TYR 83 100.000% *100.0000% (1.00 0.02 0.02) = 100.000% kept Reference assignment not found: HN ASP- 82 - HN TYR 83 Not enough support, support cutoff is 0.27 Peak unassigned. Peak 885 (1.98, 8.30, 116.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 886 (5.28, 8.30, 116.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 887 (7.39, 7.40, 116.14 ppm): 1 diagonal assignment: * HN GLU- 64 - HN GLU- 64 (0.96) kept Peak 888 (2.03, 7.40, 116.14 ppm): 16 chemical-shift based assignments, quality = 0.972, support = 5.77, residual support = 55.6: O HB3 GLU- 64 - HN GLU- 64 6.250% * 75.2625% (0.99 10.0 5.92 57.10) = 75.263% kept * HG3 GLU- 64 - HN GLU- 64 6.250% * 22.0699% (0.99 1.0 5.86 57.10) = 22.070% kept HG2 PRO 112 - HN GLU- 64 6.250% * 2.0156% (0.62 1.0 0.86 0.02) = 2.016% kept HB3 GLU- 54 - HN GLU- 64 6.250% * 0.0758% (0.99 1.0 0.02 0.02) = 0.076% HB3 GLU- 10 - HN GLU- 64 6.250% * 0.0753% (0.99 1.0 0.02 0.02) = 0.075% HB3 PRO 31 - HN GLU- 64 6.250% * 0.0733% (0.96 1.0 0.02 0.02) = 0.073% HB3 GLU- 107 - HN GLU- 64 6.250% * 0.0634% (0.83 1.0 0.02 0.02) = 0.063% HG2 PRO 116 - HN GLU- 64 6.250% * 0.0608% (0.80 1.0 0.02 0.02) = 0.061% HB3 LYS+ 110 - HN GLU- 64 6.250% * 0.0608% (0.80 1.0 0.02 0.02) = 0.061% HB2 GLU- 18 - HN GLU- 64 6.250% * 0.0430% (0.56 1.0 0.02 0.02) = 0.043% HG3 PRO 112 - HN GLU- 64 6.250% * 0.0400% (0.52 1.0 0.02 0.02) = 0.040% HB3 GLU- 75 - HN GLU- 64 6.250% * 0.0370% (0.48 1.0 0.02 0.02) = 0.037% HB3 MET 118 - HN GLU- 64 6.250% * 0.0340% (0.45 1.0 0.02 0.02) = 0.034% HB2 HIS+ 14 - HN GLU- 64 6.250% * 0.0340% (0.45 1.0 0.02 0.02) = 0.034% HG3 PRO 86 - HN GLU- 64 6.250% * 0.0312% (0.41 1.0 0.02 0.02) = 0.031% HB2 GLU- 45 - HN GLU- 64 6.250% * 0.0234% (0.31 1.0 0.02 0.02) = 0.023% Peak 889 (2.30, 7.40, 116.14 ppm): 9 chemical-shift based assignments, quality = 0.96, support = 4.99, residual support = 49.5: * HG2 GLU- 64 - HN GLU- 64 11.111% * 86.7267% (0.98 5.63 57.10) = 86.727% kept HG2 PRO 112 - HN GLU- 64 11.111% * 12.4520% (0.92 0.86 0.02) = 12.452% kept HB3 PRO 116 - HN GLU- 64 11.111% * 0.3134% (0.99 0.02 0.02) = 0.313% HB2 LYS+ 44 - HN GLU- 64 11.111% * 0.1905% (0.60 0.02 0.02) = 0.190% HB3 PRO 86 - HN GLU- 64 11.111% * 0.1071% (0.34 0.02 0.02) = 0.107% HB3 PRO 112 - HN GLU- 64 11.111% * 0.0769% (0.24 0.02 0.02) = 0.077% HB2 TYR 83 - HN GLU- 64 11.111% * 0.0485% (0.15 0.02 0.02) = 0.048% HB3 LYS+ 117 - HN GLU- 64 11.111% * 0.0425% (0.13 0.02 0.02) = 0.043% HG3 GLU- 75 - HN GLU- 64 11.111% * 0.0425% (0.13 0.02 0.02) = 0.043% Peak 890 (7.82, 7.40, 116.14 ppm): 3 chemical-shift based assignments, quality = 0.94, support = 5.72, residual support = 22.8: * T HN LYS+ 63 - HN GLU- 64 33.333% * 99.8914% (0.94 10.00 5.73 22.86) = 99.891% kept HN LYS+ 55 - HN GLU- 64 33.333% * 0.0725% (0.68 1.00 0.02 0.02) = 0.073% HN ALA 93 - HN GLU- 64 33.333% * 0.0360% (0.34 1.00 0.02 0.02) = 0.036% Peak 891 (7.57, 7.40, 116.14 ppm): 4 chemical-shift based assignments, quality = 0.994, support = 4.77, residual support = 26.1: * T HN VAL 65 - HN GLU- 64 25.000% * 98.4059% (1.00 10.00 4.84 26.51) = 98.406% kept HD22 ASN 119 - HN GLU- 64 25.000% * 1.5126% (1.00 1.00 0.31 0.02) = 1.513% kept HN LYS+ 78 - HN GLU- 64 25.000% * 0.0479% (0.48 1.00 0.02 0.02) = 0.048% HD21 ASN 15 - HN GLU- 64 25.000% * 0.0336% (0.34 1.00 0.02 0.02) = 0.034% Peak 892 (4.25, 7.40, 116.14 ppm): 20 chemical-shift based assignments, quality = 0.485, support = 4.94, residual support = 49.2: * O HA GLU- 64 - HN GLU- 64 5.000% * 85.9775% (0.48 10.0 5.55 57.10) = 85.978% kept HA SER 49 - HN GLU- 64 5.000% * 8.5521% (0.64 1.0 1.50 0.80) = 8.552% kept HB3 SER 49 - HN GLU- 64 5.000% * 3.6915% (0.35 1.0 1.17 0.80) = 3.691% kept HA PRO 59 - HN GLU- 64 5.000% * 0.1766% (1.00 1.0 0.02 0.02) = 0.177% HA ALA 11 - HN GLU- 64 5.000% * 0.1631% (0.92 1.0 0.02 0.02) = 0.163% HA GLU- 54 - HN GLU- 64 5.000% * 0.1584% (0.89 1.0 0.02 0.02) = 0.158% HA GLU- 10 - HN GLU- 64 5.000% * 0.1584% (0.89 1.0 0.02 0.02) = 0.158% HA LYS+ 108 - HN GLU- 64 5.000% * 0.1584% (0.89 1.0 0.02 0.02) = 0.158% HA ASN 76 - HN GLU- 64 5.000% * 0.1532% (0.86 1.0 0.02 0.02) = 0.153% HA ASN 119 - HN GLU- 64 5.000% * 0.1475% (0.83 1.0 0.02 0.02) = 0.148% HA GLU- 107 - HN GLU- 64 5.000% * 0.1475% (0.83 1.0 0.02 0.02) = 0.148% HA ALA 42 - HN GLU- 64 5.000% * 0.1283% (0.72 1.0 0.02 0.02) = 0.128% HA GLU- 75 - HN GLU- 64 5.000% * 0.0929% (0.52 1.0 0.02 0.02) = 0.093% HA GLU- 109 - HN GLU- 64 5.000% * 0.0792% (0.45 1.0 0.02 0.02) = 0.079% HA GLU- 56 - HN GLU- 64 5.000% * 0.0603% (0.34 1.0 0.02 0.02) = 0.060% HA GLU- 12 - HN GLU- 64 5.000% * 0.0350% (0.20 1.0 0.02 0.02) = 0.035% HA ARG+ 84 - HN GLU- 64 5.000% * 0.0309% (0.17 1.0 0.02 0.02) = 0.031% HA PRO 52 - HN GLU- 64 5.000% * 0.0309% (0.17 1.0 0.02 0.02) = 0.031% HA SER 85 - HN GLU- 64 5.000% * 0.0309% (0.17 1.0 0.02 0.02) = 0.031% HA VAL 94 - HN GLU- 64 5.000% * 0.0273% (0.15 1.0 0.02 0.02) = 0.027% Peak 893 (1.80, 7.40, 116.14 ppm): 12 chemical-shift based assignments, quality = 0.766, support = 4.48, residual support = 22.5: * HB3 LYS+ 63 - HN GLU- 64 8.333% * 63.4237% (0.92 4.60 22.86) = 63.424% kept HG3 LYS+ 63 - HN GLU- 64 8.333% * 35.0944% (0.52 4.47 22.86) = 35.094% kept HB3 LYS+ 108 - HN GLU- 64 8.333% * 0.2758% (0.92 0.02 0.02) = 0.276% HB2 GLU- 109 - HN GLU- 64 8.333% * 0.2392% (0.80 0.02 0.02) = 0.239% HD3 LYS+ 72 - HN GLU- 64 8.333% * 0.2052% (0.68 0.02 0.02) = 0.205% HG2 PRO 31 - HN GLU- 64 8.333% * 0.1691% (0.56 0.02 0.02) = 0.169% HG3 LYS+ 108 - HN GLU- 64 8.333% * 0.1572% (0.52 0.02 0.02) = 0.157% HD3 LYS+ 117 - HN GLU- 64 8.333% * 0.1454% (0.48 0.02 0.02) = 0.145% HG3 ARG+ 53 - HN GLU- 64 8.333% * 0.1121% (0.37 0.02 0.02) = 0.112% HB2 ARG+ 84 - HN GLU- 64 8.333% * 0.0665% (0.22 0.02 0.02) = 0.067% HG2 ARG+ 84 - HN GLU- 64 8.333% * 0.0591% (0.20 0.02 0.02) = 0.059% HB3 GLU- 18 - HN GLU- 64 8.333% * 0.0523% (0.17 0.02 0.02) = 0.052% Peak 894 (0.70, 7.40, 116.14 ppm): 12 chemical-shift based assignments, quality = 0.921, support = 2.16, residual support = 13.4: QG1 VAL 65 - HN GLU- 64 8.333% * 46.4140% (0.99 2.81 26.51) = 46.414% kept QG2 ILE 48 - HN GLU- 64 8.333% * 33.6346% (0.93 2.16 2.82) = 33.635% kept QG2 ILE 101 - HN GLU- 64 8.333% * 8.9430% (0.99 0.54 0.02) = 8.943% kept QG2 THR 96 - HN GLU- 64 8.333% * 5.7066% (0.98 0.35 0.02) = 5.707% kept QG1 VAL 62 - HN GLU- 64 8.333% * 3.8615% (0.13 1.71 3.47) = 3.861% kept QD1 ILE 68 - HN GLU- 64 8.333% * 0.4165% (0.17 0.14 0.02) = 0.417% QD1 ILE 19 - HN GLU- 64 8.333% * 0.2158% (0.64 0.02 0.02) = 0.216% QG2 VAL 94 - HN GLU- 64 8.333% * 0.1888% (0.56 0.02 0.02) = 0.189% QG2 ILE 68 - HN GLU- 64 8.333% * 0.1888% (0.56 0.02 0.02) = 0.189% HG LEU 74 - HN GLU- 64 8.333% * 0.1888% (0.56 0.02 0.02) = 0.189% HG12 ILE 19 - HN GLU- 64 8.333% * 0.1755% (0.52 0.02 0.02) = 0.175% QG1 VAL 40 - HN GLU- 64 8.333% * 0.0660% (0.20 0.02 0.02) = 0.066% Peak 895 (8.17, 8.17, 116.21 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 896 (4.36, 8.17, 116.21 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 897 (7.79, 8.17, 116.21 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 898 (7.76, 7.76, 116.12 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 899 (3.73, 7.76, 116.12 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 900 (2.24, 7.76, 116.12 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 901 (7.58, 8.26, 116.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 902 (3.88, 8.26, 116.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 903 (7.53, 7.53, 115.71 ppm): 1 diagonal assignment: * HN ASP- 82 - HN ASP- 82 (0.96) kept Peak 904 (2.63, 7.53, 115.71 ppm): 5 chemical-shift based assignments, quality = 0.632, support = 4.66, residual support = 34.1: * O HB3 ASP- 82 - HN ASP- 82 20.000% * 99.6988% (0.63 10.0 4.67 34.19) = 99.699% kept HB2 ASP- 25 - HN ASP- 82 20.000% * 0.1059% (0.67 1.0 0.02 0.02) = 0.106% HE3 LYS+ 20 - HN ASP- 82 20.000% * 0.0873% (0.55 1.0 0.02 0.02) = 0.087% HB3 ASP- 36 - HN ASP- 82 20.000% * 0.0811% (0.52 1.0 0.02 0.02) = 0.081% HB2 PHE 34 - HN ASP- 82 20.000% * 0.0270% (0.17 1.0 0.02 0.02) = 0.027% Peak 905 (2.15, 7.53, 115.71 ppm): 11 chemical-shift based assignments, quality = 0.448, support = 3.13, residual support = 25.3: * O HB2 ASP- 82 - HN ASP- 82 9.091% * 73.2480% (0.30 10.0 3.96 34.19) = 73.248% kept HB VAL 47 - HN ASP- 82 9.091% * 12.7493% (0.97 1.0 1.08 1.19) = 12.749% kept HB3 LYS+ 78 - HN ASP- 82 9.091% * 10.0003% (0.90 1.0 0.91 0.92) = 10.000% kept HG2 PRO 112 - HN ASP- 82 9.091% * 1.3473% (0.93 1.0 0.12 0.02) = 1.347% kept HG2 GLN 102 - HN ASP- 82 9.091% * 0.8286% (0.33 1.0 0.20 0.02) = 0.829% HG2 PRO 104 - HN ASP- 82 9.091% * 0.8136% (0.78 1.0 0.09 0.02) = 0.814% HG2 GLU- 45 - HN ASP- 82 9.091% * 0.6790% (0.22 1.0 0.26 0.02) = 0.679% HB3 GLU- 75 - HN ASP- 82 9.091% * 0.1402% (0.58 1.0 0.02 0.02) = 0.140% HB2 ASP- 28 - HN ASP- 82 9.091% * 0.1155% (0.48 1.0 0.02 0.02) = 0.116% HB3 PRO 104 - HN ASP- 82 9.091% * 0.0416% (0.17 1.0 0.02 0.02) = 0.042% HB VAL 99 - HN ASP- 82 9.091% * 0.0366% (0.15 1.0 0.02 0.02) = 0.037% Peak 906 (4.19, 7.53, 115.71 ppm): 7 chemical-shift based assignments, quality = 0.525, support = 3.75, residual support = 30.9: * O HA ASP- 82 - HN ASP- 82 14.286% * 90.3153% (0.52 10.0 4.08 34.19) = 90.315% kept HB3 SER 49 - HN ASP- 82 14.286% * 7.2174% (0.82 1.0 1.01 0.02) = 7.217% kept HB THR 106 - HN ASP- 82 14.286% * 0.8475% (0.22 1.0 0.44 0.69) = 0.848% HA VAL 105 - HN ASP- 82 14.286% * 0.8475% (0.22 1.0 0.44 0.02) = 0.848% HA GLU- 12 - HN ASP- 82 14.286% * 0.4859% (0.15 1.0 0.37 0.10) = 0.486% HA VAL 65 - HN ASP- 82 14.286% * 0.1489% (0.85 1.0 0.02 0.02) = 0.149% HA VAL 73 - HN ASP- 82 14.286% * 0.1375% (0.78 1.0 0.02 0.02) = 0.137% Peak 907 (1.64, 7.53, 115.71 ppm): 13 chemical-shift based assignments, quality = 0.614, support = 1.79, residual support = 2.98: HG2 ARG+ 22 - HN ASP- 82 7.692% * 31.8547% (0.98 1.84 1.60) = 31.855% kept HG LEU 23 - HN ASP- 82 7.692% * 17.0232% (0.52 1.87 2.84) = 17.023% kept HG3 ARG+ 84 - HN ASP- 82 7.692% * 15.6734% (0.67 1.32 0.14) = 15.673% kept HG12 ILE 101 - HN ASP- 82 7.692% * 12.1371% (0.44 1.56 0.69) = 12.137% kept * HB3 LYS+ 81 - HN ASP- 82 7.692% * 10.6661% (0.17 3.52 17.12) = 10.666% kept HG3 LYS+ 78 - HN ASP- 82 7.692% * 5.6866% (0.19 1.66 0.92) = 5.687% kept HB ILE 68 - HN ASP- 82 7.692% * 2.4617% (0.40 0.35 0.02) = 2.462% kept HG LEU 43 - HN ASP- 82 7.692% * 2.3828% (0.40 0.33 0.02) = 2.383% kept HB ILE 100 - HN ASP- 82 7.692% * 1.5891% (0.44 0.20 0.02) = 1.589% kept HB3 LYS+ 66 - HN ASP- 82 7.692% * 0.1686% (0.48 0.02 0.02) = 0.169% HB VAL 122 - HN ASP- 82 7.692% * 0.1424% (0.40 0.02 0.02) = 0.142% HB3 MET 97 - HN ASP- 82 7.692% * 0.1181% (0.33 0.02 0.02) = 0.118% HB3 MET 126 - HN ASP- 82 7.692% * 0.0963% (0.27 0.02 0.02) = 0.096% Peak 908 (8.24, 7.53, 115.71 ppm): 10 chemical-shift based assignments, quality = 0.867, support = 3.32, residual support = 11.0: * T HN LYS+ 81 - HN ASP- 82 10.000% * 63.2015% (0.96 10.00 4.54 17.12) = 63.202% kept T HN THR 106 - HN ASP- 82 10.000% * 31.2510% (0.71 10.00 1.33 0.69) = 31.251% kept HN GLU- 12 - HN ASP- 82 10.000% * 2.3159% (0.98 1.00 0.72 0.10) = 2.316% kept HN SER 49 - HN ASP- 82 10.000% * 1.9147% (0.78 1.00 0.74 0.02) = 1.915% kept HN ASP- 115 - HN ASP- 82 10.000% * 0.5985% (0.63 1.00 0.29 0.02) = 0.599% HN GLY 58 - HN ASP- 82 10.000% * 0.3382% (0.90 1.00 0.11 0.02) = 0.338% HN VAL 94 - HN ASP- 82 10.000% * 0.2908% (0.27 1.00 0.32 0.02) = 0.291% HN LEU 67 - HN ASP- 82 10.000% * 0.0632% (0.96 1.00 0.02 0.02) = 0.063% HN VAL 105 - HN ASP- 82 10.000% * 0.0161% (0.24 1.00 0.02 0.02) = 0.016% HN ALA 11 - HN ASP- 82 10.000% * 0.0099% (0.15 1.00 0.02 0.02) = 0.010% Peak 909 (9.03, 7.53, 115.71 ppm): 2 chemical-shift based assignments, quality = 0.971, support = 2.54, residual support = 10.5: * T HN THR 79 - HN ASP- 82 50.000% * 99.8992% (0.97 10.00 2.54 10.55) = 99.899% kept HN GLY 30 - HN ASP- 82 50.000% * 0.1008% (0.98 1.00 0.02 0.02) = 0.101% Peak 910 (7.69, 7.53, 115.71 ppm): 2 chemical-shift based assignments, quality = 0.363, support = 4.33, residual support = 15.2: * HN TYR 83 - HN ASP- 82 50.000% * 94.4159% (0.37 4.57 16.14) = 94.416% kept HN VAL 13 - HN ASP- 82 50.000% * 5.5841% (0.27 0.36 0.02) = 5.584% kept Peak 911 (8.11, 8.11, 115.32 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 912 (4.34, 8.11, 115.32 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 913 (9.02, 9.03, 115.09 ppm): 1 diagonal assignment: * HN GLY 30 - HN GLY 30 (0.89) kept Peak 914 (4.30, 9.03, 115.09 ppm): 13 chemical-shift based assignments, quality = 0.673, support = 1.96, residual support = 11.1: * O HA ILE 29 - HN GLY 30 7.692% * 96.0595% (0.68 10.0 2.02 11.60) = 96.060% kept HA LEU 90 - HN GLY 30 7.692% * 2.7125% (0.60 1.0 0.64 0.02) = 2.712% kept HA THR 106 - HN GLY 30 7.692% * 0.5067% (0.89 1.0 0.08 0.02) = 0.507% HA ASP- 36 - HN GLY 30 7.692% * 0.1398% (1.00 1.0 0.02 0.02) = 0.140% HA CYS 121 - HN GLY 30 7.692% * 0.1291% (0.92 1.0 0.02 0.02) = 0.129% HB3 CYS 121 - HN GLY 30 7.692% * 0.1120% (0.80 1.0 0.02 0.02) = 0.112% HA VAL 122 - HN GLY 30 7.692% * 0.0736% (0.52 1.0 0.02 0.02) = 0.074% HA ALA 93 - HN GLY 30 7.692% * 0.0681% (0.48 1.0 0.02 0.02) = 0.068% HA VAL 94 - HN GLY 30 7.692% * 0.0477% (0.34 1.0 0.02 0.02) = 0.048% HA PRO 52 - HN GLY 30 7.692% * 0.0432% (0.31 1.0 0.02 0.02) = 0.043% HA ARG+ 84 - HN GLY 30 7.692% * 0.0432% (0.31 1.0 0.02 0.02) = 0.043% HA SER 85 - HN GLY 30 7.692% * 0.0432% (0.31 1.0 0.02 0.02) = 0.043% HA GLU- 56 - HN GLY 30 7.692% * 0.0216% (0.15 1.0 0.02 0.02) = 0.022% Peak 915 (3.47, 9.03, 115.09 ppm): 6 chemical-shift based assignments, quality = 0.51, support = 2.56, residual support = 7.24: * O HA1 GLY 30 - HN GLY 30 16.667% * 60.5381% (0.25 10.0 2.13 8.23) = 60.538% kept HD3 PRO 31 - HN GLY 30 16.667% * 38.2757% (0.94 1.0 3.33 5.90) = 38.276% kept HA VAL 80 - HN GLY 30 16.667% * 0.7329% (0.68 1.0 0.09 0.02) = 0.733% HA1 GLY 71 - HN GLY 30 16.667% * 0.2422% (0.99 1.0 0.02 0.02) = 0.242% HA VAL 40 - HN GLY 30 16.667% * 0.1571% (0.64 1.0 0.02 0.02) = 0.157% HA VAL 62 - HN GLY 30 16.667% * 0.0541% (0.22 1.0 0.02 0.02) = 0.054% Peak 916 (0.94, 9.03, 115.09 ppm): 10 chemical-shift based assignments, quality = 0.894, support = 2.86, residual support = 8.45: * QG2 ILE 29 - HN GLY 30 10.000% * 67.2430% (0.94 3.64 11.60) = 67.243% kept QD1 LEU 17 - HN GLY 30 10.000% * 25.6958% (0.83 1.57 2.51) = 25.696% kept QG1 VAL 105 - HN GLY 30 10.000% * 4.3309% (0.86 0.26 0.02) = 4.331% kept QG2 VAL 105 - HN GLY 30 10.000% * 1.2120% (0.80 0.08 0.02) = 1.212% kept QG2 VAL 62 - HN GLY 30 10.000% * 0.3899% (0.99 0.02 0.02) = 0.390% QG2 VAL 73 - HN GLY 30 10.000% * 0.3772% (0.96 0.02 0.02) = 0.377% QG2 VAL 99 - HN GLY 30 10.000% * 0.2370% (0.60 0.02 0.02) = 0.237% HG12 ILE 68 - HN GLY 30 10.000% * 0.2056% (0.52 0.02 0.02) = 0.206% HG3 LYS+ 110 - HN GLY 30 10.000% * 0.1752% (0.45 0.02 0.02) = 0.175% QG2 VAL 80 - HN GLY 30 10.000% * 0.1333% (0.34 0.02 0.02) = 0.133% Peak 917 (4.71, 9.03, 115.09 ppm): 6 chemical-shift based assignments, quality = 0.932, support = 2.51, residual support = 7.8: * O HA2 GLY 30 - HN GLY 30 16.667% * 94.7771% (0.94 10.0 2.63 8.23) = 94.777% kept HA THR 61 - HN GLY 30 16.667% * 1.9750% (0.99 1.0 0.40 0.02) = 1.975% kept HA LYS+ 20 - HN GLY 30 16.667% * 1.4091% (0.68 1.0 0.41 0.16) = 1.409% kept HA GLN 16 - HN GLY 30 16.667% * 1.2774% (0.83 1.0 0.31 0.02) = 1.277% kept HA THR 39 - HN GLY 30 16.667% * 0.4667% (0.98 1.0 0.10 0.02) = 0.467% HA VAL 99 - HN GLY 30 16.667% * 0.0948% (0.94 1.0 0.02 0.02) = 0.095% Peak 919 (8.81, 9.03, 115.09 ppm): 5 chemical-shift based assignments, quality = 0.635, support = 1.14, residual support = 4.52: HN LYS+ 32 - HN GLY 30 20.000% * 76.4611% (0.72 1.28 5.73) = 76.461% kept HN SER 69 - HN GLY 30 20.000% * 21.0390% (0.34 0.75 0.66) = 21.039% kept HN ASN 57 - HN GLY 30 20.000% * 1.3738% (0.83 0.02 0.02) = 1.374% kept HN LYS+ 60 - HN GLY 30 20.000% * 0.8006% (0.48 0.02 0.02) = 0.801% HN THR 95 - HN GLY 30 20.000% * 0.3255% (0.20 0.02 0.02) = 0.325% Peak 921 (4.06, 8.23, 114.86 ppm): 5 chemical-shift based assignments, quality = 0.816, support = 4.2, residual support = 15.2: O HB2 SER 49 - HN SER 49 20.000% * 69.3393% (0.99 10.0 4.29 15.22) = 69.339% kept * O HB3 SER 49 - HN SER 49 20.000% * 30.4865% (0.43 10.0 4.02 15.22) = 30.486% kept HA VAL 125 - HN SER 49 20.000% * 0.0700% (1.00 1.0 0.02 0.02) = 0.070% HB THR 38 - HN SER 49 20.000% * 0.0675% (0.96 1.0 0.02 0.02) = 0.068% HB3 SER 85 - HN SER 49 20.000% * 0.0368% (0.52 1.0 0.02 0.02) = 0.037% Peak 922 (8.23, 8.23, 114.86 ppm): 1 diagonal assignment: * HN SER 49 - HN SER 49 (0.92) kept Peak 923 (1.72, 8.23, 114.86 ppm): 4 chemical-shift based assignments, quality = 0.517, support = 4.3, residual support = 19.8: * HB ILE 48 - HN SER 49 25.000% * 68.1787% (0.45 5.90 28.98) = 68.179% kept HB2 GLN 16 - HN SER 49 25.000% * 18.2882% (0.94 0.75 0.13) = 18.288% kept HB3 LEU 23 - HN SER 49 25.000% * 9.7469% (0.31 1.23 0.10) = 9.747% kept HB2 LYS+ 117 - HN SER 49 25.000% * 3.7862% (0.28 0.53 0.55) = 3.786% kept Peak 924 (4.22, 8.23, 114.86 ppm): 10 chemical-shift based assignments, quality = 0.65, support = 3.67, residual support = 15.1: * O HA SER 49 - HN SER 49 10.000% * 55.2685% (0.72 10.0 3.45 15.22) = 55.268% kept O HB3 SER 49 - HN SER 49 10.000% * 43.7725% (0.57 10.0 4.02 15.22) = 43.773% kept HA ASP- 82 - HN SER 49 10.000% * 0.6462% (0.68 1.0 0.25 0.02) = 0.646% HA GLU- 12 - HN SER 49 10.000% * 0.0759% (0.99 1.0 0.02 0.02) = 0.076% HA GLU- 109 - HN SER 49 10.000% * 0.0683% (0.89 1.0 0.02 0.02) = 0.068% HA ALA 42 - HN SER 49 10.000% * 0.0492% (0.64 1.0 0.02 0.02) = 0.049% HA LYS+ 108 - HN SER 49 10.000% * 0.0341% (0.45 1.0 0.02 0.02) = 0.034% HA GLU- 10 - HN SER 49 10.000% * 0.0341% (0.45 1.0 0.02 0.02) = 0.034% HA GLU- 54 - HN SER 49 10.000% * 0.0341% (0.45 1.0 0.02 0.02) = 0.034% HA PRO 59 - HN SER 49 10.000% * 0.0169% (0.22 1.0 0.02 0.02) = 0.017% Peak 925 (0.71, 8.23, 114.86 ppm): 14 chemical-shift based assignments, quality = 0.842, support = 4.01, residual support = 20.8: * QG2 ILE 48 - HN SER 49 7.143% * 70.9376% (0.87 5.46 28.98) = 70.938% kept QG1 VAL 65 - HN SER 49 7.143% * 7.8861% (0.80 0.66 0.10) = 7.886% kept HG LEU 74 - HN SER 49 7.143% * 6.2970% (0.86 0.49 0.71) = 6.297% kept QG2 THR 96 - HN SER 49 7.143% * 5.1655% (0.94 0.37 0.02) = 5.166% kept QG2 ILE 101 - HN SER 49 7.143% * 4.6275% (0.93 0.33 2.53) = 4.627% kept QD1 ILE 68 - HN SER 49 7.143% * 2.0136% (0.41 0.33 1.95) = 2.014% kept QG2 ILE 68 - HN SER 49 7.143% * 1.3003% (0.28 0.31 1.95) = 1.300% kept QG2 VAL 65 - HN SER 49 7.143% * 1.2895% (0.34 0.25 0.10) = 1.289% kept QG1 VAL 40 - HN SER 49 7.143% * 0.1332% (0.45 0.02 0.02) = 0.133% QD1 ILE 19 - HN SER 49 7.143% * 0.1014% (0.34 0.02 0.02) = 0.101% QG2 VAL 94 - HN SER 49 7.143% * 0.0826% (0.28 0.02 0.02) = 0.083% HG12 ILE 19 - HN SER 49 7.143% * 0.0741% (0.25 0.02 0.02) = 0.074% HG3 LYS+ 44 - HN SER 49 7.143% * 0.0459% (0.15 0.02 0.02) = 0.046% HG3 LYS+ 66 - HN SER 49 7.143% * 0.0459% (0.15 0.02 0.02) = 0.046% Peak 926 (7.27, 8.23, 114.86 ppm): 1 chemical-shift based assignment, quality = 0.196, support = 5.09, residual support = 29.0: * T HN ILE 48 - HN SER 49 100.000% *100.0000% (0.20 10.00 5.09 28.98) = 100.000% kept Peak 927 (3.96, 8.23, 114.86 ppm): 3 chemical-shift based assignments, quality = 0.484, support = 1.32, residual support = 0.596: HA LEU 74 - HN SER 49 33.333% * 52.4707% (0.45 1.66 0.71) = 52.471% kept HA1 GLY 114 - HN SER 49 33.333% * 41.3042% (0.56 1.04 0.52) = 41.304% kept HA1 GLY 92 - HN SER 49 33.333% * 6.2251% (0.28 0.32 0.19) = 6.225% kept Peak 928 (0.37, 8.23, 114.86 ppm): 2 chemical-shift based assignments, quality = 0.154, support = 5.0, residual support = 29.0: HG12 ILE 48 - HN SER 49 50.000% * 55.9614% (0.15 5.52 28.98) = 55.961% kept * QD1 ILE 48 - HN SER 49 50.000% * 44.0386% (0.15 4.35 28.98) = 44.039% kept Peak 929 (8.16, 8.16, 114.88 ppm): 1 diagonal assignment: * HN SER 41 - HN SER 41 (0.92) kept Peak 930 (3.81, 8.16, 114.88 ppm): 5 chemical-shift based assignments, quality = 0.996, support = 2.85, residual support = 5.25: * O HB3 SER 41 - HN SER 41 20.000% * 99.7010% (1.00 10.0 2.86 5.27) = 99.701% kept HD3 PRO 112 - HN SER 41 20.000% * 0.0943% (0.94 1.0 0.02 0.02) = 0.094% HD3 PRO 86 - HN SER 41 20.000% * 0.0798% (0.80 1.0 0.02 0.02) = 0.080% HD3 PRO 116 - HN SER 41 20.000% * 0.0724% (0.73 1.0 0.02 0.02) = 0.072% HA2 GLY 92 - HN SER 41 20.000% * 0.0525% (0.53 1.0 0.02 0.02) = 0.052% Peak 931 (4.78, 8.16, 114.88 ppm): 2 chemical-shift based assignments, quality = 0.825, support = 0.02, residual support = 0.02: HA ASN 15 - HN SER 41 50.000% * 84.3785% (0.94 0.02 0.02) = 84.379% kept HA LEU 23 - HN SER 41 50.000% * 15.6215% (0.17 0.02 0.02) = 15.621% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 932 (7.72, 8.16, 114.88 ppm): 2 chemical-shift based assignments, quality = 0.895, support = 2.74, residual support = 10.2: * T HN ALA 42 - HN SER 41 50.000% * 99.9279% (0.90 10.00 2.74 10.23) = 99.928% kept HN VAL 13 - HN SER 41 50.000% * 0.0721% (0.65 1.00 0.02 0.02) = 0.072% Peak 933 (8.70, 8.16, 114.88 ppm): 1 chemical-shift based assignment, quality = 0.763, support = 4.13, residual support = 24.5: * T HN VAL 40 - HN SER 41 100.000% *100.0000% (0.76 10.00 4.13 24.52) = 100.000% kept Peak 934 (4.23, 8.16, 114.88 ppm): 15 chemical-shift based assignments, quality = 0.776, support = 1.69, residual support = 5.92: HA ALA 42 - HN SER 41 6.667% * 57.7284% (1.00 2.28 10.23) = 57.728% kept HA ASN 76 - HN SER 41 6.667% * 12.9396% (0.37 1.36 0.02) = 12.940% kept HA ASN 119 - HN SER 41 6.667% * 10.4471% (0.34 1.21 0.02) = 10.447% kept HA GLU- 10 - HN SER 41 6.667% * 8.8778% (0.92 0.38 0.02) = 8.878% kept HA ALA 11 - HN SER 41 6.667% * 5.8437% (0.45 0.51 0.02) = 5.844% kept HA GLU- 12 - HN SER 41 6.667% * 1.3180% (0.65 0.08 0.02) = 1.318% kept HA SER 49 - HN SER 41 6.667% * 0.5057% (1.00 0.02 0.02) = 0.506% HA LYS+ 108 - HN SER 41 6.667% * 0.4679% (0.92 0.02 0.02) = 0.468% HA GLU- 54 - HN SER 41 6.667% * 0.4679% (0.92 0.02 0.02) = 0.468% HA GLU- 109 - HN SER 41 6.667% * 0.4679% (0.92 0.02 0.02) = 0.468% HA PRO 59 - HN SER 41 6.667% * 0.3481% (0.69 0.02 0.02) = 0.348% HB3 SER 49 - HN SER 41 6.667% * 0.2337% (0.46 0.02 0.02) = 0.234% HA GLU- 107 - HN SER 41 6.667% * 0.1729% (0.34 0.02 0.02) = 0.173% HA ASP- 82 - HN SER 41 6.667% * 0.1128% (0.22 0.02 0.02) = 0.113% HA GLU- 75 - HN SER 41 6.667% * 0.0686% (0.14 0.02 0.02) = 0.069% Peak 935 (2.48, 8.16, 114.88 ppm): 6 chemical-shift based assignments, quality = 0.871, support = 3.85, residual support = 23.5: * HB VAL 40 - HN SER 41 16.667% * 95.6569% (0.90 4.01 24.52) = 95.657% kept HG3 GLU- 45 - HN SER 41 16.667% * 3.1822% (0.45 0.27 0.02) = 3.182% kept HG3 MET 118 - HN SER 41 16.667% * 0.4256% (0.80 0.02 0.02) = 0.426% HG3 PRO 35 - HN SER 41 16.667% * 0.4256% (0.80 0.02 0.02) = 0.426% HG2 PRO 112 - HN SER 41 16.667% * 0.2278% (0.43 0.02 0.02) = 0.228% HB3 PRO 59 - HN SER 41 16.667% * 0.0820% (0.15 0.02 0.02) = 0.082% Peak 936 (0.74, 8.16, 114.88 ppm): 8 chemical-shift based assignments, quality = 0.843, support = 3.34, residual support = 22.5: * QG1 VAL 40 - HN SER 41 12.500% * 91.7811% (0.90 3.60 24.52) = 91.781% kept QG2 ILE 101 - HN SER 41 12.500% * 5.4196% (0.39 0.49 0.02) = 5.420% kept HG3 LYS+ 66 - HN SER 41 12.500% * 0.5566% (0.98 0.02 0.02) = 0.557% HG3 LYS+ 44 - HN SER 41 12.500% * 0.5566% (0.98 0.02 0.02) = 0.557% QG2 VAL 65 - HN SER 41 12.500% * 0.5480% (0.96 0.02 0.02) = 0.548% QD1 ILE 68 - HN SER 41 12.500% * 0.5241% (0.92 0.02 0.02) = 0.524% QG2 ILE 48 - HN SER 41 12.500% * 0.3378% (0.59 0.02 0.02) = 0.338% HG LEU 74 - HN SER 41 12.500% * 0.2764% (0.49 0.02 0.02) = 0.276% Peak 937 (1.37, 8.16, 114.88 ppm): 7 chemical-shift based assignments, quality = 0.784, support = 1.81, residual support = 1.4: * QG2 THR 39 - HN SER 41 14.286% * 50.0543% (0.65 3.01 2.74) = 50.054% kept QB ALA 11 - HN SER 41 14.286% * 17.7505% (1.00 0.69 0.02) = 17.751% kept HG2 LYS+ 78 - HN SER 41 14.286% * 17.2893% (0.83 0.80 0.14) = 17.289% kept HB3 LYS+ 20 - HN SER 41 14.286% * 10.0499% (1.00 0.39 0.02) = 10.050% kept HB3 LEU 17 - HN SER 41 14.286% * 4.1787% (0.94 0.17 0.02) = 4.179% kept HG3 LYS+ 81 - HN SER 41 14.286% * 0.4465% (0.87 0.02 0.02) = 0.446% HG13 ILE 68 - HN SER 41 14.286% * 0.2308% (0.45 0.02 0.02) = 0.231% Peak 938 (8.81, 8.82, 115.02 ppm): 1 diagonal assignment: * HN ASN 57 - HN ASN 57 (0.86) kept Peak 940 (4.38, 8.82, 115.02 ppm): 12 chemical-shift based assignments, quality = 0.432, support = 2.98, residual support = 19.0: * O HA ASN 57 - HN ASN 57 8.333% * 98.2527% (0.44 10.0 3.03 19.31) = 98.253% kept HA SER 27 - HN ASN 57 8.333% * 0.2192% (0.98 1.0 0.02 0.02) = 0.219% HA ALA 37 - HN ASN 57 8.333% * 0.2187% (0.98 1.0 0.02 0.02) = 0.219% HA LYS+ 60 - HN ASN 57 8.333% * 0.2115% (0.95 1.0 0.02 0.02) = 0.211% HA TRP 51 - HN ASN 57 8.333% * 0.2073% (0.93 1.0 0.02 0.02) = 0.207% HA ALA 91 - HN ASN 57 8.333% * 0.2023% (0.90 1.0 0.02 0.02) = 0.202% HA SER 88 - HN ASN 57 8.333% * 0.1831% (0.82 1.0 0.02 0.02) = 0.183% HB THR 61 - HN ASN 57 8.333% * 0.1675% (0.75 1.0 0.02 0.02) = 0.167% HA2 GLY 26 - HN ASN 57 8.333% * 0.1418% (0.63 1.0 0.02 0.02) = 0.142% HA THR 95 - HN ASN 57 8.333% * 0.0901% (0.40 1.0 0.02 0.02) = 0.090% HA PRO 104 - HN ASN 57 8.333% * 0.0676% (0.30 1.0 0.02 0.02) = 0.068% HA PRO 112 - HN ASN 57 8.333% * 0.0384% (0.17 1.0 0.02 0.02) = 0.038% Peak 941 (2.11, 8.82, 115.02 ppm): 13 chemical-shift based assignments, quality = 0.919, support = 2.72, residual support = 8.88: * HB2 GLU- 56 - HN ASN 57 7.692% * 79.7594% (0.94 3.32 11.12) = 79.759% kept HB3 GLU- 75 - HN ASN 57 7.692% * 12.2886% (0.95 0.51 0.02) = 12.289% kept HB VAL 87 - HN ASN 57 7.692% * 2.5103% (0.96 0.10 0.02) = 2.510% kept HG2 PRO 112 - HN ASN 57 7.692% * 2.0983% (0.86 0.10 0.02) = 2.098% kept HB VAL 65 - HN ASN 57 7.692% * 1.3488% (0.68 0.08 0.02) = 1.349% kept HB3 LEU 43 - HN ASN 57 7.692% * 0.5033% (0.99 0.02 0.02) = 0.503% HB VAL 105 - HN ASN 57 7.692% * 0.3880% (0.76 0.02 0.02) = 0.388% HG2 GLU- 45 - HN ASN 57 7.692% * 0.2875% (0.56 0.02 0.02) = 0.287% HB2 MET 118 - HN ASN 57 7.692% * 0.2471% (0.48 0.02 0.02) = 0.247% HB VAL 125 - HN ASN 57 7.692% * 0.1732% (0.34 0.02 0.02) = 0.173% HB2 ASP- 28 - HN ASN 57 7.692% * 0.1412% (0.28 0.02 0.02) = 0.141% HB2 LYS+ 110 - HN ASN 57 7.692% * 0.1412% (0.28 0.02 0.02) = 0.141% HD3 LYS+ 110 - HN ASN 57 7.692% * 0.1130% (0.22 0.02 0.02) = 0.113% Peak 942 (2.88, 8.82, 115.02 ppm): 2 chemical-shift based assignments, quality = 0.307, support = 3.83, residual support = 19.3: * O HB3 ASN 57 - HN ASN 57 50.000% * 99.9193% (0.31 10.0 3.84 19.31) = 99.919% kept HE3 LYS+ 81 - HN ASN 57 50.000% * 0.0807% (0.25 1.0 0.02 0.02) = 0.081% Peak 943 (8.23, 8.82, 115.02 ppm): 11 chemical-shift based assignments, quality = 0.886, support = 2.75, residual support = 13.0: * T HN GLY 58 - HN ASN 57 9.091% * 99.3069% (0.89 10.00 2.77 13.11) = 99.307% kept HN SER 49 - HN ASN 57 9.091% * 0.1085% (0.98 1.00 0.02 0.02) = 0.109% HN LYS+ 81 - HN ASN 57 9.091% * 0.0887% (0.80 1.00 0.02 0.02) = 0.089% HN LEU 67 - HN ASN 57 9.091% * 0.0887% (0.80 1.00 0.02 0.02) = 0.089% HN VAL 94 - HN ASN 57 9.091% * 0.0846% (0.76 1.00 0.02 0.02) = 0.085% HN VAL 105 - HN ASN 57 9.091% * 0.0804% (0.72 1.00 0.02 0.02) = 0.080% HN GLU- 12 - HN ASN 57 9.091% * 0.0761% (0.68 1.00 0.02 0.02) = 0.076% HN ALA 11 - HN ASN 57 9.091% * 0.0627% (0.56 1.00 0.02 0.02) = 0.063% HN GLU- 45 - HN ASN 57 9.091% * 0.0539% (0.48 1.00 0.02 0.02) = 0.054% HN THR 106 - HN ASN 57 9.091% * 0.0276% (0.25 1.00 0.02 0.02) = 0.028% HN ASP- 115 - HN ASN 57 9.091% * 0.0219% (0.20 1.00 0.02 0.02) = 0.022% Peak 945 (1.96, 8.82, 115.02 ppm): 15 chemical-shift based assignments, quality = 0.558, support = 2.05, residual support = 5.21: * HB3 GLU- 56 - HN ASN 57 6.667% * 46.3415% (0.45 3.42 11.12) = 46.341% kept HB3 LYS+ 55 - HN ASN 57 6.667% * 30.4993% (0.80 1.26 0.18) = 30.499% kept HB2 GLU- 75 - HN ASN 57 6.667% * 11.0015% (0.60 0.60 0.02) = 11.001% kept HB VAL 73 - HN ASN 57 6.667% * 4.5209% (0.64 0.23 0.02) = 4.521% kept HB2 PRO 86 - HN ASN 57 6.667% * 2.7242% (0.28 0.32 0.02) = 2.724% kept HG2 PRO 112 - HN ASN 57 6.667% * 1.2045% (0.41 0.10 0.02) = 1.205% kept HB VAL 13 - HN ASN 57 6.667% * 0.6048% (1.00 0.02 0.02) = 0.605% HG3 PRO 116 - HN ASN 57 6.667% * 0.6035% (0.99 0.02 0.02) = 0.603% HB2 PRO 35 - HN ASN 57 6.667% * 0.5928% (0.98 0.02 0.02) = 0.593% HB3 GLU- 109 - HN ASN 57 6.667% * 0.5928% (0.98 0.02 0.02) = 0.593% HG3 PRO 31 - HN ASN 57 6.667% * 0.5052% (0.83 0.02 0.02) = 0.505% HG3 PRO 104 - HN ASN 57 6.667% * 0.3424% (0.56 0.02 0.02) = 0.342% HB2 GLU- 10 - HN ASN 57 6.667% * 0.1867% (0.31 0.02 0.02) = 0.187% HB2 PRO 116 - HN ASN 57 6.667% * 0.1867% (0.31 0.02 0.02) = 0.187% HB2 LYS+ 108 - HN ASN 57 6.667% * 0.0933% (0.15 0.02 0.02) = 0.093% Peak 946 (2.32, 8.82, 115.02 ppm): 6 chemical-shift based assignments, quality = 0.384, support = 2.8, residual support = 8.89: * HG3 GLU- 56 - HN ASN 57 16.667% * 79.9031% (0.31 3.46 11.12) = 79.903% kept HG2 GLU- 64 - HN ASN 57 16.667% * 10.3497% (0.56 0.24 0.02) = 10.350% kept HG2 PRO 112 - HN ASN 57 16.667% * 6.3575% (0.88 0.10 0.02) = 6.358% kept HB3 PRO 86 - HN ASN 57 16.667% * 1.4652% (0.98 0.02 0.02) = 1.465% kept HB2 TYR 83 - HN ASN 57 16.667% * 1.1969% (0.80 0.02 0.02) = 1.197% kept HB3 PRO 116 - HN ASN 57 16.667% * 0.7276% (0.48 0.02 0.02) = 0.728% Peak 947 (7.27, 7.30, 114.60 ppm): 1 diagonal assignment: * HN ILE 48 - HN ILE 48 (0.28) kept Peak 948 (0.38, 7.30, 114.60 ppm): 4 chemical-shift based assignments, quality = 0.34, support = 5.55, residual support = 149.6: QD1 ILE 48 - HN ILE 48 25.000% * 50.5589% (0.34 5.62 149.82) = 50.559% kept * HG12 ILE 48 - HN ILE 48 25.000% * 49.3050% (0.34 5.48 149.82) = 49.305% kept HG12 ILE 48 - HZ2 TRP 51 25.000% * 0.1153% (0.04 0.11 0.02) = 0.115% QD1 ILE 48 - HZ2 TRP 51 25.000% * 0.0208% (0.04 0.02 0.02) = 0.021% Peak 949 (1.72, 7.30, 114.60 ppm): 8 chemical-shift based assignments, quality = 0.491, support = 5.88, residual support = 143.0: * O HB ILE 48 - HN ILE 48 12.500% * 95.4554% (0.49 10.0 6.14 149.82) = 95.455% kept HB3 LEU 23 - HN ILE 48 12.500% * 2.4836% (0.34 1.0 0.74 0.33) = 2.484% kept HB2 GLN 16 - HN ILE 48 12.500% * 1.9537% (0.92 1.0 0.22 0.02) = 1.954% kept HB2 LYS+ 117 - HN ILE 48 12.500% * 0.0605% (0.31 1.0 0.02 0.02) = 0.061% HB2 GLN 16 - HZ2 TRP 51 12.500% * 0.0209% (0.11 1.0 0.02 0.30) = 0.021% HB ILE 48 - HZ2 TRP 51 12.500% * 0.0110% (0.06 1.0 0.02 0.02) = 0.011% HB3 LEU 23 - HZ2 TRP 51 12.500% * 0.0077% (0.04 1.0 0.02 17.32) = 0.008% HB2 LYS+ 117 - HZ2 TRP 51 12.500% * 0.0070% (0.04 1.0 0.02 0.80) = 0.007% Peak 950 (1.46, 7.30, 114.60 ppm): 26 chemical-shift based assignments, quality = 0.897, support = 5.83, residual support = 136.2: * HG13 ILE 48 - HN ILE 48 3.846% * 90.5753% (0.96 6.32 149.82) = 90.575% kept HB3 LYS+ 44 - HN ILE 48 3.846% * 3.4929% (0.22 1.06 0.51) = 3.493% kept HG3 PRO 52 - HZ2 TRP 51 3.846% * 2.9557% (0.09 2.15 16.86) = 2.956% kept HG2 PRO 59 - HN ILE 48 3.846% * 1.3098% (1.00 0.09 0.02) = 1.310% kept HG3 LYS+ 60 - HN ILE 48 3.846% * 0.2962% (1.00 0.02 1.89) = 0.296% HG3 PRO 52 - HN ILE 48 3.846% * 0.2377% (0.80 0.02 0.02) = 0.238% HB3 LEU 67 - HN ILE 48 3.846% * 0.2156% (0.73 0.02 0.17) = 0.216% HG13 ILE 48 - HZ2 TRP 51 3.846% * 0.1836% (0.11 0.11 0.02) = 0.184% HG LEU 90 - HN ILE 48 3.846% * 0.1562% (0.53 0.02 0.02) = 0.156% HG3 LYS+ 113 - HN ILE 48 3.846% * 0.0916% (0.31 0.02 0.02) = 0.092% HG3 ARG+ 22 - HN ILE 48 3.846% * 0.0740% (0.25 0.02 0.71) = 0.074% HG3 LYS+ 55 - HN ILE 48 3.846% * 0.0740% (0.25 0.02 0.02) = 0.074% HD3 LYS+ 113 - HN ILE 48 3.846% * 0.0661% (0.22 0.02 0.02) = 0.066% QB ALA 70 - HN ILE 48 3.846% * 0.0588% (0.20 0.02 0.02) = 0.059% QG2 THR 38 - HN ILE 48 3.846% * 0.0458% (0.15 0.02 0.02) = 0.046% HG3 LYS+ 60 - HZ2 TRP 51 3.846% * 0.0343% (0.12 0.02 0.02) = 0.034% HG2 PRO 59 - HZ2 TRP 51 3.846% * 0.0343% (0.12 0.02 1.63) = 0.034% HB3 LEU 67 - HZ2 TRP 51 3.846% * 0.0249% (0.08 0.02 0.02) = 0.025% HG LEU 90 - HZ2 TRP 51 3.846% * 0.0181% (0.06 0.02 0.02) = 0.018% HG3 LYS+ 113 - HZ2 TRP 51 3.846% * 0.0106% (0.04 0.02 0.14) = 0.011% HG3 ARG+ 22 - HZ2 TRP 51 3.846% * 0.0086% (0.03 0.02 0.02) = 0.009% HG3 LYS+ 55 - HZ2 TRP 51 3.846% * 0.0086% (0.03 0.02 0.24) = 0.009% HD3 LYS+ 113 - HZ2 TRP 51 3.846% * 0.0076% (0.03 0.02 0.14) = 0.008% HB3 LYS+ 44 - HZ2 TRP 51 3.846% * 0.0076% (0.03 0.02 0.10) = 0.008% QB ALA 70 - HZ2 TRP 51 3.846% * 0.0068% (0.02 0.02 0.02) = 0.007% QG2 THR 38 - HZ2 TRP 51 3.846% * 0.0053% (0.02 0.02 0.02) = 0.005% Peak 951 (8.23, 7.30, 114.60 ppm): 22 chemical-shift based assignments, quality = 0.839, support = 3.41, residual support = 18.2: * HN SER 49 - HN ILE 48 4.545% * 58.8696% (0.94 5.09 28.98) = 58.870% kept HN GLY 58 - HN ILE 48 4.545% * 12.5342% (0.83 1.23 1.16) = 12.534% kept HN GLU- 45 - HN ILE 48 4.545% * 9.9259% (0.57 1.43 9.33) = 9.926% kept HN LEU 67 - HN ILE 48 4.545% * 7.8405% (0.73 0.88 0.17) = 7.841% kept HN VAL 105 - HN ILE 48 4.545% * 3.4988% (0.80 0.36 0.02) = 3.499% kept HN VAL 94 - HN ILE 48 4.545% * 2.4135% (0.83 0.24 0.02) = 2.414% kept HN ASP- 115 - HN ILE 48 4.545% * 2.2415% (0.15 1.19 0.62) = 2.241% kept HN LYS+ 81 - HN ILE 48 4.545% * 1.8574% (0.73 0.21 0.25) = 1.857% kept HN THR 106 - HN ILE 48 4.545% * 0.3127% (0.20 0.13 0.02) = 0.313% HN ALA 11 - HN ILE 48 4.545% * 0.1582% (0.65 0.02 0.02) = 0.158% HN GLU- 12 - HN ILE 48 4.545% * 0.1483% (0.61 0.02 0.02) = 0.148% HN SER 49 - HZ2 TRP 51 4.545% * 0.0268% (0.11 0.02 0.02) = 0.027% HN GLY 58 - HZ2 TRP 51 4.545% * 0.0236% (0.10 0.02 5.39) = 0.024% HN VAL 94 - HZ2 TRP 51 4.545% * 0.0236% (0.10 0.02 0.02) = 0.024% HN VAL 105 - HZ2 TRP 51 4.545% * 0.0227% (0.09 0.02 0.02) = 0.023% HN LYS+ 81 - HZ2 TRP 51 4.545% * 0.0206% (0.08 0.02 0.02) = 0.021% HN LEU 67 - HZ2 TRP 51 4.545% * 0.0206% (0.08 0.02 0.02) = 0.021% HN ALA 11 - HZ2 TRP 51 4.545% * 0.0183% (0.07 0.02 0.02) = 0.018% HN GLU- 12 - HZ2 TRP 51 4.545% * 0.0172% (0.07 0.02 0.02) = 0.017% HN GLU- 45 - HZ2 TRP 51 4.545% * 0.0160% (0.07 0.02 0.02) = 0.016% HN THR 106 - HZ2 TRP 51 4.545% * 0.0056% (0.02 0.02 0.02) = 0.006% HN ASP- 115 - HZ2 TRP 51 4.545% * 0.0044% (0.02 0.02 0.02) = 0.004% Peak 952 (0.71, 7.30, 114.60 ppm): 28 chemical-shift based assignments, quality = 0.761, support = 5.15, residual support = 110.5: * QG2 ILE 48 - HN ILE 48 3.571% * 73.6638% (0.83 6.70 149.82) = 73.664% kept QG1 VAL 65 - HN ILE 48 3.571% * 9.1625% (0.61 1.14 1.26) = 9.162% kept QG2 THR 96 - HN ILE 48 3.571% * 6.1013% (0.80 0.57 0.02) = 6.101% kept HG3 LYS+ 44 - HN ILE 48 3.571% * 4.9742% (0.28 1.35 0.51) = 4.974% kept HG LEU 74 - HN ILE 48 3.571% * 2.4415% (0.98 0.19 0.02) = 2.442% kept QG2 ILE 101 - HN ILE 48 3.571% * 1.1980% (0.86 0.10 0.14) = 1.198% kept QD1 ILE 68 - HN ILE 48 3.571% * 0.8402% (0.61 0.10 0.02) = 0.840% QG2 VAL 65 - HN ILE 48 3.571% * 0.6163% (0.53 0.09 1.26) = 0.616% QD1 ILE 19 - HZ2 TRP 51 3.571% * 0.2594% (0.02 0.85 0.48) = 0.259% QG1 VAL 40 - HN ILE 48 3.571% * 0.1719% (0.65 0.02 0.02) = 0.172% QG2 ILE 48 - HZ2 TRP 51 3.571% * 0.1409% (0.10 0.11 0.02) = 0.141% HG3 LYS+ 66 - HN ILE 48 3.571% * 0.0739% (0.28 0.02 0.02) = 0.074% QD1 ILE 19 - HN ILE 48 3.571% * 0.0526% (0.20 0.02 0.02) = 0.053% QG2 VAL 94 - HN ILE 48 3.571% * 0.0410% (0.15 0.02 0.02) = 0.041% QG2 ILE 68 - HN ILE 48 3.571% * 0.0410% (0.15 0.02 0.02) = 0.041% HG12 ILE 19 - HN ILE 48 3.571% * 0.0360% (0.14 0.02 0.02) = 0.036% HG LEU 74 - HZ2 TRP 51 3.571% * 0.0301% (0.11 0.02 0.23) = 0.030% QG2 ILE 101 - HZ2 TRP 51 3.571% * 0.0265% (0.10 0.02 3.22) = 0.026% QG2 THR 96 - HZ2 TRP 51 3.571% * 0.0246% (0.09 0.02 0.02) = 0.025% QG1 VAL 40 - HZ2 TRP 51 3.571% * 0.0199% (0.07 0.02 0.02) = 0.020% QG1 VAL 65 - HZ2 TRP 51 3.571% * 0.0187% (0.07 0.02 0.02) = 0.019% QD1 ILE 68 - HZ2 TRP 51 3.571% * 0.0187% (0.07 0.02 0.02) = 0.019% QG2 VAL 65 - HZ2 TRP 51 3.571% * 0.0162% (0.06 0.02 0.02) = 0.016% HG3 LYS+ 44 - HZ2 TRP 51 3.571% * 0.0086% (0.03 0.02 0.10) = 0.009% HG3 LYS+ 66 - HZ2 TRP 51 3.571% * 0.0086% (0.03 0.02 0.02) = 0.009% QG2 ILE 68 - HZ2 TRP 51 3.571% * 0.0047% (0.02 0.02 0.02) = 0.005% QG2 VAL 94 - HZ2 TRP 51 3.571% * 0.0047% (0.02 0.02 0.02) = 0.005% HG12 ILE 19 - HZ2 TRP 51 3.571% * 0.0042% (0.02 0.02 0.48) = 0.004% Peak 953 (3.41, 7.30, 114.60 ppm): 4 chemical-shift based assignments, quality = 0.48, support = 6.22, residual support = 147.0: * O HA ILE 48 - HN ILE 48 25.000% * 97.9978% (0.49 10.0 6.32 149.82) = 97.998% kept HA VAL 62 - HN ILE 48 25.000% * 1.9863% (0.20 1.0 1.00 9.55) = 1.986% kept HA ILE 48 - HZ2 TRP 51 25.000% * 0.0113% (0.06 1.0 0.02 0.02) = 0.011% HA VAL 62 - HZ2 TRP 51 25.000% * 0.0046% (0.02 1.0 0.02 0.02) = 0.005% Peak 954 (2.13, 7.30, 114.60 ppm): 22 chemical-shift based assignments, quality = 0.681, support = 3.65, residual support = 19.8: * HB VAL 47 - HN ILE 48 4.545% * 47.9888% (0.49 5.80 34.45) = 47.989% kept HG2 GLU- 45 - HN ILE 48 4.545% * 35.3670% (0.92 2.25 9.33) = 35.367% kept HB3 GLU- 75 - HN ILE 48 4.545% * 8.6318% (0.79 0.64 0.02) = 8.632% kept HB2 ASP- 28 - HN ILE 48 4.545% * 5.3829% (0.99 0.32 0.02) = 5.383% kept HG2 PRO 112 - HZ2 TRP 51 4.545% * 0.6949% (0.11 0.39 0.43) = 0.695% HB VAL 47 - HZ2 TRP 51 4.545% * 0.4419% (0.06 0.46 3.62) = 0.442% HG2 PRO 112 - HN ILE 48 4.545% * 0.3092% (0.91 0.02 0.02) = 0.309% HB VAL 105 - HN ILE 48 4.545% * 0.2600% (0.76 0.02 0.02) = 0.260% HB3 LYS+ 78 - HN ILE 48 4.545% * 0.2201% (0.65 0.02 0.02) = 0.220% HB2 GLU- 56 - HN ILE 48 4.545% * 0.1790% (0.53 0.02 0.02) = 0.179% HB VAL 87 - HN ILE 48 4.545% * 0.1656% (0.49 0.02 0.02) = 0.166% HB3 LEU 43 - HN ILE 48 4.545% * 0.0946% (0.28 0.02 1.60) = 0.095% HG2 PRO 104 - HN ILE 48 4.545% * 0.0460% (0.14 0.02 0.02) = 0.046% HB2 ASP- 28 - HZ2 TRP 51 4.545% * 0.0390% (0.11 0.02 0.02) = 0.039% HG2 GLU- 45 - HZ2 TRP 51 4.545% * 0.0363% (0.11 0.02 0.02) = 0.036% HB3 GLU- 75 - HZ2 TRP 51 4.545% * 0.0313% (0.09 0.02 0.12) = 0.031% HB VAL 105 - HZ2 TRP 51 4.545% * 0.0301% (0.09 0.02 0.02) = 0.030% HB3 LYS+ 78 - HZ2 TRP 51 4.545% * 0.0255% (0.07 0.02 0.02) = 0.025% HB2 GLU- 56 - HZ2 TRP 51 4.545% * 0.0207% (0.06 0.02 0.20) = 0.021% HB VAL 87 - HZ2 TRP 51 4.545% * 0.0192% (0.06 0.02 0.02) = 0.019% HB3 LEU 43 - HZ2 TRP 51 4.545% * 0.0109% (0.03 0.02 0.18) = 0.011% HG2 PRO 104 - HZ2 TRP 51 4.545% * 0.0053% (0.02 0.02 0.02) = 0.005% Peak 955 (3.84, 7.30, 114.60 ppm): 20 chemical-shift based assignments, quality = 0.405, support = 1.58, residual support = 3.48: * HA GLU- 45 - HN ILE 48 5.000% * 30.5981% (0.25 3.09 9.33) = 30.598% kept HB2 SER 85 - HN ILE 48 5.000% * 28.8434% (0.53 1.38 1.67) = 28.843% kept HA2 GLY 114 - HN ILE 48 5.000% * 15.4181% (0.49 0.80 0.80) = 15.418% kept HB3 SER 88 - HN ILE 48 5.000% * 8.0765% (0.57 0.36 0.02) = 8.077% kept HB3 SER 27 - HN ILE 48 5.000% * 7.7725% (0.28 0.70 0.26) = 7.773% kept HB3 SER 77 - HN ILE 48 5.000% * 7.2592% (0.49 0.38 0.02) = 7.259% kept HA LYS+ 117 - HN ILE 48 5.000% * 0.7782% (0.98 0.02 0.02) = 0.778% HA2 GLY 92 - HN ILE 48 5.000% * 0.3865% (0.49 0.02 0.02) = 0.386% HD3 PRO 116 - HN ILE 48 5.000% * 0.2451% (0.31 0.02 0.02) = 0.245% HD3 PRO 86 - HN ILE 48 5.000% * 0.1980% (0.25 0.02 0.49) = 0.198% HA LYS+ 117 - HZ2 TRP 51 5.000% * 0.0901% (0.11 0.02 0.80) = 0.090% HB3 SER 88 - HZ2 TRP 51 5.000% * 0.0520% (0.07 0.02 0.02) = 0.052% HB2 SER 85 - HZ2 TRP 51 5.000% * 0.0483% (0.06 0.02 0.02) = 0.048% HA2 GLY 92 - HZ2 TRP 51 5.000% * 0.0447% (0.06 0.02 0.02) = 0.045% HA2 GLY 114 - HZ2 TRP 51 5.000% * 0.0447% (0.06 0.02 0.02) = 0.045% HB3 SER 77 - HZ2 TRP 51 5.000% * 0.0447% (0.06 0.02 0.02) = 0.045% HD3 PRO 116 - HZ2 TRP 51 5.000% * 0.0284% (0.04 0.02 0.02) = 0.028% HB3 SER 27 - HZ2 TRP 51 5.000% * 0.0255% (0.03 0.02 0.10) = 0.026% HD3 PRO 86 - HZ2 TRP 51 5.000% * 0.0229% (0.03 0.02 0.02) = 0.023% HA GLU- 45 - HZ2 TRP 51 5.000% * 0.0229% (0.03 0.02 0.02) = 0.023% Peak 956 (0.87, 7.30, 114.60 ppm): 16 chemical-shift based assignments, quality = 0.248, support = 4.65, residual support = 26.4: * QG1 VAL 47 - HN ILE 48 6.250% * 76.5495% (0.20 5.97 34.45) = 76.550% kept QG1 VAL 80 - HN ILE 48 6.250% * 10.0850% (0.57 0.28 0.02) = 10.085% kept QD1 LEU 67 - HN ILE 48 6.250% * 4.7556% (0.15 0.48 0.17) = 4.756% kept QG1 VAL 47 - HZ2 TRP 51 6.250% * 1.5881% (0.02 1.07 3.62) = 1.588% kept QG2 VAL 40 - HZ2 TRP 51 6.250% * 1.4492% (0.03 0.78 0.02) = 1.449% kept QG2 VAL 87 - HN ILE 48 6.250% * 1.4435% (0.25 0.09 0.02) = 1.444% kept QG2 VAL 125 - HN ILE 48 6.250% * 1.1617% (0.90 0.02 0.17) = 1.162% kept QG2 ILE 100 - HN ILE 48 6.250% * 1.0820% (0.83 0.02 0.35) = 1.082% kept QD1 LEU 90 - HN ILE 48 6.250% * 1.0372% (0.80 0.02 0.02) = 1.037% kept QG2 VAL 40 - HN ILE 48 6.250% * 0.3230% (0.25 0.02 0.02) = 0.323% QG2 VAL 125 - HZ2 TRP 51 6.250% * 0.1344% (0.10 0.02 0.02) = 0.134% QG2 ILE 100 - HZ2 TRP 51 6.250% * 0.1252% (0.10 0.02 1.40) = 0.125% QD1 LEU 90 - HZ2 TRP 51 6.250% * 0.1200% (0.09 0.02 0.02) = 0.120% QG1 VAL 80 - HZ2 TRP 51 6.250% * 0.0849% (0.07 0.02 0.02) = 0.085% QG2 VAL 87 - HZ2 TRP 51 6.250% * 0.0374% (0.03 0.02 0.02) = 0.037% QD1 LEU 67 - HZ2 TRP 51 6.250% * 0.0231% (0.02 0.02 0.02) = 0.023% Peak 957 (8.11, 8.11, 114.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 958 (4.36, 8.11, 114.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 959 (2.42, 8.11, 114.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 960 (2.89, 7.63, 113.99 ppm): 5 chemical-shift based assignments, quality = 0.753, support = 1.86, residual support = 19.3: * O HB3 ASN 57 - HD21 ASN 57 20.000% * 99.7865% (0.75 10.0 1.87 19.31) = 99.786% kept HE3 LYS+ 81 - HD21 ASN 57 20.000% * 0.0979% (0.69 1.0 0.02 0.02) = 0.098% HB2 HIS+ 98 - HD21 ASN 57 20.000% * 0.0674% (0.48 1.0 0.02 0.02) = 0.067% HB2 CYS 121 - HD21 ASN 57 20.000% * 0.0285% (0.20 1.0 0.02 0.02) = 0.029% HE3 LYS+ 60 - HD21 ASN 57 20.000% * 0.0198% (0.14 1.0 0.02 0.02) = 0.020% Peak 961 (6.96, 7.62, 113.99 ppm): 1 chemical-shift based assignment, quality = 0.991, support = 1.0, residual support = 19.3: * O T HD22 ASN 57 - HD21 ASN 57 100.000% *100.0000% (0.99 10.0 10.00 1.00 19.31) = 100.000% kept Peak 962 (7.62, 7.62, 113.99 ppm): 1 diagonal assignment: * HD21 ASN 57 - HD21 ASN 57 (1.00) kept Peak 964 (2.90, 6.97, 113.99 ppm): 5 chemical-shift based assignments, quality = 0.912, support = 1.86, residual support = 19.3: * O HB3 ASN 57 - HD22 ASN 57 20.000% * 99.7244% (0.91 10.0 1.87 19.31) = 99.724% kept HE3 LYS+ 81 - HD22 ASN 57 20.000% * 0.1041% (0.89 1.0 0.02 0.02) = 0.104% HB2 HIS+ 98 - HD22 ASN 57 20.000% * 0.0864% (0.74 1.0 0.02 0.02) = 0.086% HB2 CYS 121 - HD22 ASN 57 20.000% * 0.0484% (0.41 1.0 0.02 0.02) = 0.048% HE3 LYS+ 60 - HD22 ASN 57 20.000% * 0.0368% (0.31 1.0 0.02 0.02) = 0.037% Peak 965 (7.62, 6.97, 113.99 ppm): 3 chemical-shift based assignments, quality = 0.995, support = 0.999, residual support = 19.3: * O T HD21 ASN 57 - HD22 ASN 57 33.333% * 99.8786% (1.00 10.0 10.00 1.00 19.31) = 99.879% kept HN ASP- 25 - HD22 ASN 57 33.333% * 0.0727% (0.73 1.0 1.00 0.02 0.02) = 0.073% HD21 ASN 89 - HD22 ASN 57 33.333% * 0.0487% (0.49 1.0 1.00 0.02 0.02) = 0.049% Peak 966 (6.97, 6.97, 113.99 ppm): 1 diagonal assignment: * HD22 ASN 57 - HD22 ASN 57 (1.00) kept Peak 972 (8.27, 8.28, 112.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 973 (4.32, 8.28, 112.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 974 (7.61, 8.28, 112.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 975 (3.65, 8.28, 112.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 976 (7.58, 7.59, 112.73 ppm): 1 diagonal assignment: * HD21 ASN 15 - HD21 ASN 15 (0.90) kept Peak 977 (4.78, 7.59, 112.73 ppm): 2 chemical-shift based assignments, quality = 0.911, support = 1.23, residual support = 4.7: * HA ASN 15 - HD21 ASN 15 50.000% * 90.7573% (0.98 1.31 5.17) = 90.757% kept HA LEU 23 - HD21 ASN 15 50.000% * 9.2427% (0.27 0.48 0.02) = 9.243% kept Peak 978 (6.89, 7.59, 112.73 ppm): 3 chemical-shift based assignments, quality = 0.941, support = 0.997, residual support = 5.15: * O HD22 ASN 15 - HD21 ASN 15 33.333% * 99.6648% (0.94 10.0 1.00 5.17) = 99.665% kept QD PHE 21 - HD21 ASN 15 33.333% * 0.1852% (0.88 1.0 0.02 0.02) = 0.185% HD21 ASN 119 - HD21 ASN 15 33.333% * 0.1500% (0.71 1.0 0.02 0.95) = 0.150% Peak 979 (2.75, 7.59, 112.73 ppm): 2 chemical-shift based assignments, quality = 0.587, support = 0.398, residual support = 1.95: HB3 ASP- 115 - HD21 ASN 15 50.000% * 97.3213% (0.59 0.41 2.00) = 97.321% kept HB3 PHE 21 - HD21 ASN 15 50.000% * 2.6787% (0.33 0.02 0.02) = 2.679% kept Reference assignment not found: HB3 ASN 15 - HD21 ASN 15 Peak 980 (6.89, 6.89, 112.68 ppm): 1 diagonal assignment: * HD22 ASN 15 - HD22 ASN 15 (0.87) kept Peak 981 (7.59, 6.89, 112.68 ppm): 5 chemical-shift based assignments, quality = 0.817, support = 0.943, residual support = 4.63: * O T HD21 ASN 15 - HD22 ASN 15 20.000% * 87.4412% (0.88 10.0 10.00 1.00 5.17) = 87.441% kept T HD22 ASN 119 - HD22 ASN 15 20.000% * 11.6975% (0.40 1.0 10.00 0.58 0.95) = 11.697% kept HN ASP- 25 - HD22 ASN 15 20.000% * 0.7323% (0.28 1.0 1.00 0.53 0.32) = 0.732% HN LYS+ 78 - HD22 ASN 15 20.000% * 0.0890% (0.90 1.0 1.00 0.02 0.02) = 0.089% HN VAL 65 - HD22 ASN 15 20.000% * 0.0400% (0.40 1.0 1.00 0.02 0.02) = 0.040% Peak 982 (2.79, 6.89, 112.68 ppm): 5 chemical-shift based assignments, quality = 0.812, support = 0.34, residual support = 0.869: HB2 ASN 119 - HD22 ASN 15 20.000% * 90.7446% (0.85 0.37 0.95) = 90.745% kept HA2 GLY 58 - HD22 ASN 15 20.000% * 3.1233% (0.54 0.02 0.02) = 3.123% kept HE3 LYS+ 32 - HD22 ASN 15 20.000% * 2.9154% (0.51 0.02 0.02) = 2.915% kept HE3 LYS+ 111 - HD22 ASN 15 20.000% * 1.9327% (0.34 0.02 0.02) = 1.933% kept HB3 ASN 89 - HD22 ASN 15 20.000% * 1.2840% (0.22 0.02 0.44) = 1.284% kept Reference assignment not found: HB3 ASN 15 - HD22 ASN 15 Peak 983 (4.77, 6.89, 112.68 ppm): 1 chemical-shift based assignment, quality = 0.805, support = 1.31, residual support = 5.17: * HA ASN 15 - HD22 ASN 15 100.000% *100.0000% (0.81 1.31 5.17) = 100.000% kept Peak 986 (8.23, 8.23, 112.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 987 (4.02, 8.23, 112.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 988 (2.78, 7.64, 112.96 ppm): 4 chemical-shift based assignments, quality = 0.941, support = 0.521, residual support = 1.5: HB2 ASN 119 - HD21 ASN 89 25.000% * 92.8804% (0.99 0.55 1.62) = 92.880% kept HE3 LYS+ 32 - HD21 ASN 89 25.000% * 5.3754% (0.31 0.10 0.02) = 5.375% kept HA2 GLY 58 - HD21 ASN 89 25.000% * 1.1525% (0.34 0.02 0.02) = 1.153% kept HE3 LYS+ 111 - HD21 ASN 89 25.000% * 0.5917% (0.18 0.02 0.02) = 0.592% Peak 989 (6.87, 7.64, 112.96 ppm): 4 chemical-shift based assignments, quality = 0.724, support = 0.579, residual support = 0.933: HD21 ASN 119 - HD21 ASN 89 25.000% * 57.1809% (0.80 0.75 1.62) = 57.181% kept HZ PHE 21 - HD21 ASN 89 25.000% * 21.7098% (0.65 0.35 0.02) = 21.710% kept QD PHE 21 - HD21 ASN 89 25.000% * 20.6854% (0.61 0.36 0.02) = 20.685% kept HD22 ASN 15 - HD21 ASN 89 25.000% * 0.4240% (0.22 0.02 0.44) = 0.424% Peak 990 (7.64, 7.64, 112.96 ppm): 1 diagonal assignment: * HD21 ASN 89 - HD21 ASN 89 (1.00) kept Peak 992 (2.79, 7.57, 112.23 ppm): 5 chemical-shift based assignments, quality = 0.919, support = 1.22, residual support = 4.42: O HB2 ASN 119 - HD22 ASN 119 20.000% * 99.6574% (0.92 10.0 1.22 4.43) = 99.657% kept HA2 GLY 58 - HD22 ASN 119 20.000% * 0.1141% (0.65 1.0 0.02 0.02) = 0.114% HE3 LYS+ 32 - HD22 ASN 119 20.000% * 0.1070% (0.61 1.0 0.02 0.02) = 0.107% HE3 LYS+ 111 - HD22 ASN 119 20.000% * 0.0725% (0.41 1.0 0.02 0.02) = 0.072% HB3 ASN 89 - HD22 ASN 119 20.000% * 0.0490% (0.28 1.0 0.02 1.62) = 0.049% Reference assignment not found: HB3 ASN 119 - HD22 ASN 119 Peak 993 (6.88, 7.57, 112.23 ppm): 4 chemical-shift based assignments, quality = 0.989, support = 2.16, residual support = 4.37: * O HD21 ASN 119 - HD22 ASN 119 25.000% * 98.1358% (1.00 10.0 2.20 4.43) = 98.136% kept HD22 ASN 15 - HD22 ASN 119 25.000% * 1.7448% (0.61 1.0 0.58 0.95) = 1.745% kept QD PHE 21 - HD22 ASN 119 25.000% * 0.0949% (0.96 1.0 0.02 0.10) = 0.095% HZ PHE 21 - HD22 ASN 119 25.000% * 0.0245% (0.25 1.0 0.02 0.10) = 0.025% Peak 994 (7.57, 7.57, 112.23 ppm): 1 diagonal assignment: * HD22 ASN 119 - HD22 ASN 119 (1.00) kept Peak 995 (4.68, 7.57, 112.23 ppm): 8 chemical-shift based assignments, quality = 0.463, support = 0.385, residual support = 1.14: HA GLN 16 - HD22 ASN 119 12.500% * 56.1480% (0.53 0.43 1.76) = 56.148% kept * HA LYS+ 120 - HD22 ASN 119 12.500% * 29.0437% (0.25 0.47 0.25) = 29.044% kept HA ASN 89 - HD22 ASN 119 12.500% * 4.6457% (0.94 0.02 1.62) = 4.646% kept HA TYR 83 - HD22 ASN 119 12.500% * 3.7532% (0.76 0.02 0.02) = 3.753% kept HA PRO 35 - HD22 ASN 119 12.500% * 2.5838% (0.53 0.02 0.02) = 2.584% kept HA VAL 99 - HD22 ASN 119 12.500% * 1.8432% (0.37 0.02 0.02) = 1.843% kept HA THR 61 - HD22 ASN 119 12.500% * 1.2246% (0.25 0.02 0.02) = 1.225% kept HA THR 39 - HD22 ASN 119 12.500% * 0.7578% (0.15 0.02 0.02) = 0.758% Peak 996 (7.59, 8.15, 110.39 ppm): 5 chemical-shift based assignments, quality = 0.948, support = 3.94, residual support = 13.9: * T HN LYS+ 78 - HN SER 77 20.000% * 98.2202% (0.96 10.00 4.01 14.12) = 98.220% kept HN ASP- 25 - HN SER 77 20.000% * 1.1525% (0.41 1.00 0.55 0.02) = 1.153% kept HD22 ASN 119 - HN SER 77 20.000% * 0.4908% (0.34 1.00 0.28 0.02) = 0.491% HD21 ASN 15 - HN SER 77 20.000% * 0.1018% (1.00 1.00 0.02 0.02) = 0.102% HN VAL 65 - HN SER 77 20.000% * 0.0347% (0.34 1.00 0.02 0.02) = 0.035% Peak 997 (8.15, 8.15, 110.39 ppm): 1 diagonal assignment: * HN SER 77 - HN SER 77 (0.96) kept Peak 998 (4.49, 8.15, 110.39 ppm): 9 chemical-shift based assignments, quality = 0.93, support = 2.61, residual support = 4.14: * O HA SER 77 - HN SER 77 11.111% * 97.1255% (0.94 10.0 2.67 4.27) = 97.126% kept HB THR 79 - HN SER 77 11.111% * 2.4634% (0.64 1.0 0.74 0.02) = 2.463% kept HA CYS 123 - HN SER 77 11.111% * 0.0971% (0.94 1.0 0.02 0.02) = 0.097% HA LYS+ 32 - HN SER 77 11.111% * 0.0891% (0.86 1.0 0.02 0.02) = 0.089% HA MET 126 - HN SER 77 11.111% * 0.0705% (0.68 1.0 0.02 0.02) = 0.071% HA GLN 102 - HN SER 77 11.111% * 0.0500% (0.48 1.0 0.02 0.02) = 0.050% HA ILE 100 - HN SER 77 11.111% * 0.0500% (0.48 1.0 0.02 0.02) = 0.050% HA LYS+ 55 - HN SER 77 11.111% * 0.0385% (0.37 1.0 0.02 0.02) = 0.039% HB THR 46 - HN SER 77 11.111% * 0.0158% (0.15 1.0 0.02 0.02) = 0.016% Peak 999 (2.83, 8.15, 110.39 ppm): 6 chemical-shift based assignments, quality = 0.785, support = 1.57, residual support = 1.29: * HB3 ASN 76 - HN SER 77 16.667% * 97.0365% (0.80 1.62 1.33) = 97.037% kept HB3 ASN 119 - HN SER 77 16.667% * 1.3401% (0.89 0.02 0.02) = 1.340% kept HB3 ASN 89 - HN SER 77 16.667% * 0.6699% (0.45 0.02 0.02) = 0.670% HE3 LYS+ 111 - HN SER 77 16.667% * 0.4612% (0.31 0.02 0.02) = 0.461% HE3 LYS+ 32 - HN SER 77 16.667% * 0.2617% (0.17 0.02 0.02) = 0.262% HA2 GLY 58 - HN SER 77 16.667% * 0.2306% (0.15 0.02 0.02) = 0.231% Peak 1000 (3.86, 8.15, 110.39 ppm): 10 chemical-shift based assignments, quality = 0.985, support = 1.69, residual support = 4.23: * O HB3 SER 77 - HN SER 77 10.000% * 99.2258% (0.99 10.0 1.71 4.27) = 99.226% kept HA2 GLY 114 - HN SER 77 10.000% * 0.1163% (0.99 1.0 0.02 0.32) = 0.116% HB2 SER 85 - HN SER 77 10.000% * 0.1155% (0.99 1.0 0.02 0.02) = 0.116% HB3 SER 88 - HN SER 77 10.000% * 0.1142% (0.98 1.0 0.02 0.02) = 0.114% HB3 SER 27 - HN SER 77 10.000% * 0.1102% (0.94 1.0 0.02 0.02) = 0.110% HA GLU- 45 - HN SER 77 10.000% * 0.1076% (0.92 1.0 0.02 0.02) = 0.108% HD3 PRO 35 - HN SER 77 10.000% * 0.0660% (0.56 1.0 0.02 0.02) = 0.066% HD2 PRO 116 - HN SER 77 10.000% * 0.0567% (0.48 1.0 0.02 0.02) = 0.057% HD2 PRO 86 - HN SER 77 10.000% * 0.0479% (0.41 1.0 0.02 0.02) = 0.048% HA LYS+ 117 - HN SER 77 10.000% * 0.0398% (0.34 1.0 0.02 0.02) = 0.040% Peak 1001 (4.10, 8.15, 110.39 ppm): 5 chemical-shift based assignments, quality = 0.945, support = 0.486, residual support = 0.27: HA THR 24 - HN SER 77 20.000% * 89.0564% (0.96 0.54 0.29) = 89.056% kept HA LYS+ 63 - HN SER 77 20.000% * 3.2161% (0.94 0.02 0.02) = 3.216% kept HA ALA 70 - HN SER 77 20.000% * 3.1384% (0.92 0.02 0.02) = 3.138% kept HB3 SER 49 - HN SER 77 20.000% * 2.5269% (0.74 0.02 0.31) = 2.527% kept HA THR 46 - HN SER 77 20.000% * 2.0621% (0.60 0.02 0.02) = 2.062% kept Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 1002 (2.38, 8.15, 110.39 ppm): 6 chemical-shift based assignments, quality = 0.906, support = 2.75, residual support = 11.6: * HB2 LYS+ 78 - HN SER 77 16.667% * 82.2000% (0.94 3.26 14.12) = 82.200% kept HG2 PRO 112 - HN SER 77 16.667% * 11.0170% (0.73 0.57 0.02) = 11.017% kept HB3 GLU- 50 - HN SER 77 16.667% * 3.3380% (0.98 0.13 0.02) = 3.338% kept HB3 ASP- 28 - HN SER 77 16.667% * 1.7540% (0.76 0.09 0.02) = 1.754% kept HG3 GLU- 50 - HN SER 77 16.667% * 1.5268% (0.45 0.13 0.02) = 1.527% kept HB2 GLU- 64 - HN SER 77 16.667% * 0.1643% (0.31 0.02 0.02) = 0.164% Peak 1003 (2.17, 8.15, 110.39 ppm): 10 chemical-shift based assignments, quality = 0.64, support = 1.66, residual support = 8.03: * HB3 LYS+ 78 - HN SER 77 10.000% * 56.8194% (0.48 2.61 14.12) = 56.819% kept HG2 PRO 112 - HN SER 77 10.000% * 24.3924% (0.96 0.57 0.02) = 24.392% kept HG2 PRO 104 - HN SER 77 10.000% * 11.2349% (0.99 0.25 0.02) = 11.235% kept HB3 GLU- 75 - HN SER 77 10.000% * 4.4805% (0.46 0.21 0.02) = 4.481% kept HG2 GLN 102 - HN SER 77 10.000% * 0.7154% (0.80 0.02 0.02) = 0.715% HB2 ASP- 82 - HN SER 77 10.000% * 0.6828% (0.76 0.02 0.02) = 0.683% HB VAL 47 - HN SER 77 10.000% * 0.5779% (0.64 0.02 0.02) = 0.578% HB3 PRO 104 - HN SER 77 10.000% * 0.5058% (0.56 0.02 0.02) = 0.506% HB VAL 99 - HN SER 77 10.000% * 0.4700% (0.52 0.02 0.02) = 0.470% HG2 MET 126 - HN SER 77 10.000% * 0.1209% (0.13 0.02 0.02) = 0.121% Peak 1004 (6.64, 7.37, 110.39 ppm): 1 chemical-shift based assignment, quality = 0.434, support = 1.46, residual support = 27.6: O T HE21 GLN 102 - HE22 GLN 102 100.000% *100.0000% (0.43 10.0 10.00 1.46 27.62) = 100.000% kept Peak 1007 (7.36, 7.37, 110.39 ppm): 1 diagonal assignment: HE22 GLN 102 - HE22 GLN 102 (0.45) kept Peak 1009 (8.32, 8.32, 110.11 ppm): 1 diagonal assignment: * HN GLY 114 - HN GLY 114 (0.96) kept Peak 1010 (4.25, 8.32, 110.11 ppm): 21 chemical-shift based assignments, quality = 0.776, support = 0.818, residual support = 0.876: HA PRO 59 - HN GLY 114 4.762% * 49.1630% (0.87 1.21 0.99) = 49.163% kept HA ALA 11 - HN GLY 114 4.762% * 29.8927% (0.99 0.65 1.16) = 29.893% kept HA SER 49 - HN GLY 114 4.762% * 4.6919% (0.34 0.29 0.52) = 4.692% kept HA GLU- 56 - HN GLY 114 4.762% * 4.3081% (0.65 0.14 0.02) = 4.308% kept HB3 SER 49 - HN GLY 114 4.762% * 3.4708% (0.30 0.25 0.52) = 3.471% kept HA ASN 76 - HN GLY 114 4.762% * 0.9346% (1.00 0.02 0.02) = 0.935% HA GLU- 107 - HN GLY 114 4.762% * 0.9325% (1.00 0.02 0.02) = 0.933% HA ASN 119 - HN GLY 114 4.762% * 0.9325% (1.00 0.02 0.02) = 0.933% HA GLU- 75 - HN GLY 114 4.762% * 0.7806% (0.83 0.02 0.02) = 0.781% HA GLU- 64 - HN GLY 114 4.762% * 0.7483% (0.80 0.02 0.02) = 0.748% HA GLU- 10 - HN GLY 114 4.762% * 0.5668% (0.61 0.02 0.02) = 0.567% HA LYS+ 108 - HN GLY 114 4.762% * 0.5668% (0.61 0.02 0.02) = 0.567% HA GLU- 54 - HN GLY 114 4.762% * 0.5668% (0.61 0.02 0.02) = 0.567% HA SER 85 - HN GLY 114 4.762% * 0.3842% (0.41 0.02 0.02) = 0.384% HA PRO 52 - HN GLY 114 4.762% * 0.3842% (0.41 0.02 0.02) = 0.384% HA ARG+ 84 - HN GLY 114 4.762% * 0.3842% (0.41 0.02 0.02) = 0.384% HA ALA 42 - HN GLY 114 4.762% * 0.3842% (0.41 0.02 0.02) = 0.384% HA VAL 94 - HN GLY 114 4.762% * 0.3508% (0.37 0.02 0.02) = 0.351% HA VAL 122 - HN GLY 114 4.762% * 0.2081% (0.22 0.02 0.02) = 0.208% HA GLU- 109 - HN GLY 114 4.762% * 0.1850% (0.20 0.02 0.02) = 0.185% HA LEU 90 - HN GLY 114 4.762% * 0.1637% (0.17 0.02 0.02) = 0.164% Peak 1011 (4.78, 8.32, 110.11 ppm): 2 chemical-shift based assignments, quality = 0.907, support = 0.811, residual support = 0.656: HA ASN 15 - HN GLY 114 50.000% * 86.6490% (1.00 0.87 0.75) = 86.649% kept HA LEU 23 - HN GLY 114 50.000% * 13.3510% (0.31 0.43 0.02) = 13.351% kept Peak 1012 (3.89, 8.32, 110.11 ppm): 9 chemical-shift based assignments, quality = 0.398, support = 0.825, residual support = 0.539: O HA2 GLY 114 - HN GLY 114 11.111% * 56.5174% (0.15 10.0 1.00 0.70) = 56.517% kept HD2 PRO 116 - HN GLY 114 11.111% * 21.7975% (0.80 1.0 0.74 0.48) = 21.797% kept HB2 SER 77 - HN GLY 114 11.111% * 12.0539% (0.53 1.0 0.63 0.32) = 12.054% kept HD2 PRO 86 - HN GLY 114 11.111% * 8.4111% (0.87 1.0 0.26 0.02) = 8.411% kept HD3 PRO 35 - HN GLY 114 11.111% * 0.5320% (0.73 1.0 0.02 0.02) = 0.532% HA GLU- 45 - HN GLY 114 11.111% * 0.2499% (0.34 1.0 0.02 0.02) = 0.250% HB3 SER 27 - HN GLY 114 11.111% * 0.2261% (0.31 1.0 0.02 0.02) = 0.226% HB3 SER 77 - HN GLY 114 11.111% * 0.1130% (0.15 1.0 0.02 0.32) = 0.113% HB2 SER 85 - HN GLY 114 11.111% * 0.0991% (0.14 1.0 0.02 0.02) = 0.099% Peak 1013 (4.89, 8.32, 110.11 ppm): 1 chemical-shift based assignment, quality = 0.686, support = 0.02, residual support = 0.02: HA ILE 19 - HN GLY 114 100.000% *100.0000% (0.69 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 1014 (8.39, 8.40, 109.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1015 (2.66, 8.40, 109.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1016 (8.47, 8.47, 109.53 ppm): 1 diagonal assignment: * HN GLY 92 - HN GLY 92 (0.98) kept Peak 1017 (4.22, 8.47, 109.53 ppm): 10 chemical-shift based assignments, quality = 0.792, support = 0.999, residual support = 0.25: HA GLU- 12 - HN GLY 92 10.000% * 45.3221% (0.99 1.35 0.33) = 45.322% kept HA ASP- 82 - HN GLY 92 10.000% * 23.4709% (0.76 0.91 0.24) = 23.471% kept HB3 SER 49 - HN GLY 92 10.000% * 13.8030% (0.59 0.69 0.19) = 13.803% kept HA SER 49 - HN GLY 92 10.000% * 8.4519% (0.64 0.39 0.19) = 8.452% kept HA GLU- 10 - HN GLY 92 10.000% * 7.3881% (0.37 0.59 0.02) = 7.388% kept HA GLU- 109 - HN GLY 92 10.000% * 0.5614% (0.83 0.02 0.02) = 0.561% HA ALA 42 - HN GLY 92 10.000% * 0.3805% (0.56 0.02 0.02) = 0.380% HA LYS+ 108 - HN GLY 92 10.000% * 0.2522% (0.37 0.02 0.02) = 0.252% HA GLU- 54 - HN GLY 92 10.000% * 0.2522% (0.37 0.02 0.02) = 0.252% HA PRO 59 - HN GLY 92 10.000% * 0.1177% (0.17 0.02 0.02) = 0.118% Reference assignment not found: HA ALA 91 - HN GLY 92 Peak 1018 (3.81, 8.47, 109.53 ppm): 5 chemical-shift based assignments, quality = 0.481, support = 2.19, residual support = 7.62: * O HA2 GLY 92 - HN GLY 92 20.000% * 99.3035% (0.48 10.0 2.20 7.67) = 99.304% kept HB3 SER 41 - HN GLY 92 20.000% * 0.2036% (0.99 1.0 0.02 0.02) = 0.204% HD3 PRO 112 - HN GLY 92 20.000% * 0.1969% (0.96 1.0 0.02 0.02) = 0.197% HD3 PRO 86 - HN GLY 92 20.000% * 0.1559% (0.76 1.0 0.02 0.02) = 0.156% HD3 PRO 116 - HN GLY 92 20.000% * 0.1401% (0.68 1.0 0.02 0.02) = 0.140% Peak 1019 (3.96, 8.47, 109.53 ppm): 3 chemical-shift based assignments, quality = 0.341, support = 1.68, residual support = 7.18: * O HA1 GLY 92 - HN GLY 92 33.333% * 93.3213% (0.34 10.0 1.73 7.67) = 93.321% kept HA LEU 74 - HN GLY 92 33.333% * 6.5247% (0.37 1.0 1.10 0.25) = 6.525% kept HA1 GLY 114 - HN GLY 92 33.333% * 0.1541% (0.48 1.0 0.02 0.02) = 0.154% Peak 1020 (7.80, 8.47, 109.53 ppm): 5 chemical-shift based assignments, quality = 0.991, support = 2.62, residual support = 12.7: * T HN ALA 93 - HN GLY 92 20.000% * 99.7691% (0.99 10.00 2.63 12.76) = 99.769% kept HN LYS+ 55 - HN GLY 92 20.000% * 0.0801% (0.80 1.00 0.02 0.02) = 0.080% HN VAL 87 - HN GLY 92 20.000% * 0.0687% (0.68 1.00 0.02 0.02) = 0.069% HN THR 46 - HN GLY 92 20.000% * 0.0647% (0.64 1.00 0.02 0.02) = 0.065% HN LYS+ 63 - HN GLY 92 20.000% * 0.0175% (0.17 1.00 0.02 0.02) = 0.018% Peak 1021 (1.36, 8.47, 109.53 ppm): 7 chemical-shift based assignments, quality = 0.905, support = 0.468, residual support = 0.263: HG3 LYS+ 81 - HN GLY 92 14.286% * 32.8082% (0.99 0.61 0.22) = 32.808% kept QB ALA 11 - HN GLY 92 14.286% * 26.0881% (0.86 0.55 0.15) = 26.088% kept HB3 LEU 17 - HN GLY 92 14.286% * 17.4758% (0.99 0.32 0.17) = 17.476% kept HB3 LYS+ 20 - HN GLY 92 14.286% * 15.8594% (0.89 0.33 0.74) = 15.859% kept HG2 LYS+ 78 - HN GLY 92 14.286% * 7.1187% (0.56 0.23 0.02) = 7.119% kept QG2 THR 39 - HN GLY 92 14.286% * 0.4079% (0.37 0.02 0.02) = 0.408% HG13 ILE 68 - HN GLY 92 14.286% * 0.2420% (0.22 0.02 0.02) = 0.242% Reference assignment not found: QB ALA 91 - HN GLY 92 Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 1022 (8.29, 8.47, 109.53 ppm): 5 chemical-shift based assignments, quality = 0.896, support = 0.934, residual support = 0.773: * HN ALA 91 - HN GLY 92 20.000% * 70.3127% (0.92 1.18 1.09) = 70.313% kept HN ASP- 28 - HN GLY 92 20.000% * 24.5935% (0.92 0.41 0.02) = 24.594% kept HN ASN 89 - HN GLY 92 20.000% * 4.3622% (0.56 0.12 0.02) = 4.362% kept HN VAL 99 - HN GLY 92 20.000% * 0.5320% (0.41 0.02 0.02) = 0.532% HN ASN 76 - HN GLY 92 20.000% * 0.1997% (0.15 0.02 0.02) = 0.200% Peak 1023 (4.78, 8.47, 109.53 ppm): 2 chemical-shift based assignments, quality = 0.517, support = 0.0957, residual support = 0.02: HA LEU 23 - HN GLY 92 50.000% * 63.6131% (0.25 0.14 0.02) = 63.613% kept HA ASN 15 - HN GLY 92 50.000% * 36.3869% (0.99 0.02 0.02) = 36.387% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 1024 (8.16, 8.17, 109.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1025 (4.69, 8.17, 109.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1026 (7.58, 8.17, 109.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1027 (8.12, 8.12, 108.56 ppm): 1 diagonal assignment: * HN GLY 26 - HN GLY 26 (0.94) kept Peak 1028 (4.35, 8.12, 108.56 ppm): 6 chemical-shift based assignments, quality = 0.774, support = 2.54, residual support = 13.3: * O HA2 GLY 26 - HN GLY 26 16.667% * 95.8309% (0.80 10.0 2.55 13.55) = 95.831% kept HA SER 27 - HN GLY 26 16.667% * 3.9471% (0.28 1.0 2.37 6.98) = 3.947% kept HB THR 61 - HN GLY 26 16.667% * 0.0822% (0.68 1.0 0.02 0.02) = 0.082% HA TRP 51 - HN GLY 26 16.667% * 0.0537% (0.45 1.0 0.02 0.02) = 0.054% HA LYS+ 60 - HN GLY 26 16.667% * 0.0492% (0.41 1.0 0.02 0.02) = 0.049% HA ALA 37 - HN GLY 26 16.667% * 0.0369% (0.31 1.0 0.02 0.02) = 0.037% Peak 1029 (3.52, 8.12, 108.56 ppm): 3 chemical-shift based assignments, quality = 0.759, support = 2.44, residual support = 13.5: * O HA1 GLY 26 - HN GLY 26 33.333% * 99.8651% (0.76 10.0 2.44 13.55) = 99.865% kept HA LYS+ 44 - HN GLY 26 33.333% * 0.1172% (0.89 1.0 0.02 0.02) = 0.117% HA1 GLY 30 - HN GLY 26 33.333% * 0.0177% (0.13 1.0 0.02 0.02) = 0.018% Peak 1030 (7.60, 8.12, 108.56 ppm): 4 chemical-shift based assignments, quality = 0.91, support = 3.67, residual support = 9.85: * T HN ASP- 25 - HN GLY 26 25.000% * 99.0834% (0.92 10.00 3.70 9.94) = 99.083% kept T HN LYS+ 78 - HN GLY 26 25.000% * 0.5225% (0.48 10.00 0.02 0.02) = 0.522% HD21 ASN 57 - HN GLY 26 25.000% * 0.3247% (0.52 1.00 0.11 0.02) = 0.325% HD21 ASN 15 - HN GLY 26 25.000% * 0.0694% (0.64 1.00 0.02 0.02) = 0.069% Peak 1031 (7.99, 8.12, 108.56 ppm): 4 chemical-shift based assignments, quality = 0.557, support = 1.55, residual support = 3.6: * HN SER 27 - HN GLY 26 25.000% * 51.4436% (0.28 2.63 6.98) = 51.444% kept HN LEU 43 - HN GLY 26 25.000% * 30.4895% (0.94 0.46 0.02) = 30.490% kept HN MET 126 - HN GLY 26 25.000% * 17.6751% (0.72 0.35 0.02) = 17.675% kept HN LYS+ 111 - HN GLY 26 25.000% * 0.3918% (0.28 0.02 0.02) = 0.392% Peak 1032 (4.58, 8.12, 108.56 ppm): 3 chemical-shift based assignments, quality = 0.444, support = 2.77, residual support = 9.91: * O HA ASP- 25 - HN GLY 26 33.333% * 99.6000% (0.45 10.0 2.78 9.94) = 99.600% kept HA LYS+ 72 - HN GLY 26 33.333% * 0.2144% (0.96 1.0 0.02 0.02) = 0.214% HA LYS+ 78 - HN GLY 26 33.333% * 0.1856% (0.83 1.0 0.02 0.02) = 0.186% Peak 1033 (1.57, 8.12, 108.56 ppm): 10 chemical-shift based assignments, quality = 0.676, support = 1.38, residual support = 0.769: * QG2 THR 24 - HN GLY 26 10.000% * 45.7563% (0.56 2.21 1.66) = 45.756% kept HG12 ILE 29 - HN GLY 26 10.000% * 30.7441% (0.86 0.97 0.02) = 30.744% kept HG13 ILE 29 - HN GLY 26 10.000% * 10.0660% (0.68 0.40 0.02) = 10.066% kept QB ALA 42 - HN GLY 26 10.000% * 9.7223% (0.86 0.31 0.02) = 9.722% kept HD3 LYS+ 81 - HN GLY 26 10.000% * 0.7286% (0.99 0.02 0.02) = 0.729% HD3 LYS+ 60 - HN GLY 26 10.000% * 0.7286% (0.99 0.02 0.02) = 0.729% HG LEU 17 - HN GLY 26 10.000% * 0.7157% (0.98 0.02 0.02) = 0.716% HB ILE 19 - HN GLY 26 10.000% * 0.7047% (0.96 0.02 0.02) = 0.705% HB3 LEU 90 - HN GLY 26 10.000% * 0.5847% (0.80 0.02 0.02) = 0.585% HB3 LYS+ 32 - HN GLY 26 10.000% * 0.2491% (0.34 0.02 0.02) = 0.249% Peak 1034 (4.08, 8.12, 108.56 ppm): 7 chemical-shift based assignments, quality = 0.574, support = 1.44, residual support = 1.18: * HA THR 24 - HN GLY 26 14.286% * 70.9176% (0.56 1.91 1.66) = 70.918% kept HA VAL 125 - HN GLY 26 14.286% * 13.7337% (0.60 0.35 0.02) = 13.734% kept HB2 SER 49 - HN GLY 26 14.286% * 13.3985% (0.68 0.30 0.02) = 13.399% kept HB3 SER 49 - HN GLY 26 14.286% * 0.7428% (0.56 0.02 0.02) = 0.743% HB THR 38 - HN GLY 26 14.286% * 0.5882% (0.45 0.02 0.02) = 0.588% HA LYS+ 63 - HN GLY 26 14.286% * 0.3271% (0.25 0.02 0.02) = 0.327% HA ALA 70 - HN GLY 26 14.286% * 0.2921% (0.22 0.02 0.02) = 0.292% Peak 1035 (7.43, 7.43, 108.50 ppm): 1 diagonal assignment: * HN THR 61 - HN THR 61 (0.96) kept Peak 1036 (8.82, 7.43, 108.50 ppm): 3 chemical-shift based assignments, quality = 0.844, support = 4.0, residual support = 14.0: * T HN LYS+ 60 - HN THR 61 33.333% * 92.6502% (0.83 10.00 4.21 15.13) = 92.650% kept HN LYS+ 32 - HN THR 61 33.333% * 7.2389% (0.98 1.00 1.33 0.40) = 7.239% kept HN ASN 57 - HN THR 61 33.333% * 0.1109% (1.00 1.00 0.02 0.02) = 0.111% Peak 1037 (1.84, 7.43, 108.50 ppm): 12 chemical-shift based assignments, quality = 0.726, support = 3.03, residual support = 8.78: * HB3 LYS+ 60 - HN THR 61 8.333% * 55.6771% (0.73 4.21 15.13) = 55.677% kept HB2 PRO 59 - HN THR 61 8.333% * 30.2329% (0.92 1.80 0.89) = 30.233% kept HD2 PRO 59 - HN THR 61 8.333% * 9.2789% (0.37 1.36 0.89) = 9.279% kept HG2 PRO 112 - HN THR 61 8.333% * 2.0732% (0.16 0.72 0.11) = 2.073% kept HB VAL 94 - HN THR 61 8.333% * 1.3598% (0.41 0.18 0.02) = 1.360% kept HB2 LYS+ 66 - HN THR 61 8.333% * 0.3574% (0.98 0.02 0.02) = 0.357% HB3 LYS+ 72 - HN THR 61 8.333% * 0.2504% (0.69 0.02 0.02) = 0.250% HB2 PRO 104 - HN THR 61 8.333% * 0.2358% (0.65 0.02 0.02) = 0.236% HD3 LYS+ 117 - HN THR 61 8.333% * 0.1775% (0.49 0.02 0.02) = 0.177% HG3 LYS+ 108 - HN THR 61 8.333% * 0.1635% (0.45 0.02 0.02) = 0.163% HD3 LYS+ 72 - HN THR 61 8.333% * 0.1125% (0.31 0.02 0.02) = 0.113% HB2 GLU- 109 - HN THR 61 8.333% * 0.0812% (0.22 0.02 0.02) = 0.081% Peak 1038 (1.10, 7.43, 108.50 ppm): 5 chemical-shift based assignments, quality = 0.732, support = 1.93, residual support = 10.5: * QG2 THR 61 - HN THR 61 20.000% * 58.1065% (0.61 2.65 17.56) = 58.107% kept QG2 THR 79 - HN THR 61 20.000% * 37.0982% (0.99 1.03 0.80) = 37.098% kept QG2 THR 95 - HN THR 61 20.000% * 2.7263% (0.31 0.24 0.02) = 2.726% kept HD3 LYS+ 111 - HN THR 61 20.000% * 1.9572% (0.22 0.24 0.02) = 1.957% kept HG3 LYS+ 32 - HN THR 61 20.000% * 0.1117% (0.15 0.02 0.40) = 0.112% Peak 1039 (2.02, 7.43, 108.50 ppm): 15 chemical-shift based assignments, quality = 0.817, support = 1.02, residual support = 0.923: HB3 GLU- 64 - HN THR 61 6.667% * 33.0800% (0.94 1.55 1.68) = 33.080% kept * HG3 GLU- 64 - HN THR 61 6.667% * 17.4699% (0.83 0.93 1.68) = 17.470% kept HB3 PRO 31 - HN THR 61 6.667% * 16.7982% (0.98 0.76 0.30) = 16.798% kept HG3 PRO 112 - HN THR 61 6.667% * 13.8952% (0.80 0.77 0.11) = 13.895% kept HG2 PRO 112 - HN THR 61 6.667% * 9.7854% (0.60 0.72 0.11) = 9.785% kept HB3 GLU- 75 - HN THR 61 6.667% * 5.8994% (0.42 0.63 0.02) = 5.899% kept HB3 GLU- 107 - HN THR 61 6.667% * 0.4480% (0.99 0.02 0.02) = 0.448% HG2 PRO 116 - HN THR 61 6.667% * 0.4430% (0.98 0.02 0.02) = 0.443% HB3 GLU- 10 - HN THR 61 6.667% * 0.4276% (0.94 0.02 0.02) = 0.428% HB3 GLU- 54 - HN THR 61 6.667% * 0.3921% (0.87 0.02 0.02) = 0.392% HB2 GLU- 18 - HN THR 61 6.667% * 0.3775% (0.83 0.02 0.02) = 0.378% HB2 HIS+ 14 - HN THR 61 6.667% * 0.3282% (0.73 0.02 0.02) = 0.328% HB3 MET 118 - HN THR 61 6.667% * 0.3282% (0.73 0.02 0.02) = 0.328% HB3 LYS+ 110 - HN THR 61 6.667% * 0.2378% (0.53 0.02 0.02) = 0.238% HG3 PRO 86 - HN THR 61 6.667% * 0.0894% (0.20 0.02 0.02) = 0.089% Peak 1040 (4.33, 7.43, 108.50 ppm): 2 chemical-shift based assignments, quality = 0.603, support = 0.02, residual support = 0.0931: HA ALA 93 - HN THR 61 50.000% * 58.5270% (0.69 0.02 0.02) = 58.527% kept HA ILE 29 - HN THR 61 50.000% * 41.4730% (0.49 0.02 0.20) = 41.473% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 1041 (4.68, 7.43, 108.50 ppm): 8 chemical-shift based assignments, quality = 0.246, support = 3.29, residual support = 17.3: * O HA THR 61 - HN THR 61 12.500% * 98.5997% (0.25 10.0 3.34 17.56) = 98.600% kept HA ASN 89 - HN THR 61 12.500% * 0.3741% (0.94 1.0 0.02 0.02) = 0.374% HA TYR 83 - HN THR 61 12.500% * 0.3022% (0.76 1.0 0.02 0.02) = 0.302% HA PRO 35 - HN THR 61 12.500% * 0.2080% (0.53 1.0 0.02 0.02) = 0.208% HA GLN 16 - HN THR 61 12.500% * 0.2080% (0.53 1.0 0.02 0.02) = 0.208% HA VAL 99 - HN THR 61 12.500% * 0.1484% (0.37 1.0 0.02 0.02) = 0.148% HA LYS+ 120 - HN THR 61 12.500% * 0.0986% (0.25 1.0 0.02 0.02) = 0.099% HA THR 39 - HN THR 61 12.500% * 0.0610% (0.15 1.0 0.02 0.02) = 0.061% Peak 1042 (2.29, 7.43, 108.50 ppm): 9 chemical-shift based assignments, quality = 0.854, support = 0.763, residual support = 0.87: * HG2 GLU- 64 - HN THR 61 11.111% * 49.0732% (0.87 0.89 1.68) = 49.073% kept HG2 PRO 112 - HN THR 61 11.111% * 43.0877% (0.93 0.72 0.11) = 43.088% kept HB VAL 80 - HN THR 61 11.111% * 4.2464% (0.20 0.34 0.02) = 4.246% kept HB3 PRO 116 - HN THR 61 11.111% * 1.1761% (0.92 0.02 0.02) = 1.176% kept HB2 LYS+ 44 - HN THR 61 11.111% * 1.0202% (0.80 0.02 0.02) = 1.020% kept HB3 PRO 112 - HN THR 61 11.111% * 0.5089% (0.40 0.02 0.11) = 0.509% HG3 GLU- 75 - HN THR 61 11.111% * 0.3177% (0.25 0.02 0.02) = 0.318% HB3 LYS+ 117 - HN THR 61 11.111% * 0.3177% (0.25 0.02 0.02) = 0.318% HB3 PRO 86 - HN THR 61 11.111% * 0.2521% (0.20 0.02 0.02) = 0.252% Peak 1043 (1.45, 7.43, 108.50 ppm): 13 chemical-shift based assignments, quality = 0.968, support = 2.47, residual support = 9.21: * HG3 LYS+ 60 - HN THR 61 7.692% * 56.3152% (1.00 3.28 15.13) = 56.315% kept HG2 PRO 59 - HN THR 61 7.692% * 30.9553% (1.00 1.80 0.89) = 30.955% kept HG13 ILE 48 - HN THR 61 7.692% * 9.6873% (0.94 0.60 4.28) = 9.687% kept HG3 LYS+ 113 - HN THR 61 7.692% * 1.4223% (0.34 0.24 0.02) = 1.422% kept HG3 LYS+ 55 - HN THR 61 7.692% * 0.5577% (0.28 0.12 0.02) = 0.558% HG3 PRO 52 - HN THR 61 7.692% * 0.2625% (0.76 0.02 0.02) = 0.262% HB3 LEU 67 - HN THR 61 7.692% * 0.2359% (0.69 0.02 0.02) = 0.236% HG LEU 90 - HN THR 61 7.692% * 0.1944% (0.57 0.02 0.02) = 0.194% HG3 ARG+ 22 - HN THR 61 7.692% * 0.0955% (0.28 0.02 0.02) = 0.095% HD3 LYS+ 113 - HN THR 61 7.692% * 0.0856% (0.25 0.02 0.02) = 0.086% HB3 LYS+ 44 - HN THR 61 7.692% * 0.0680% (0.20 0.02 0.02) = 0.068% QB ALA 70 - HN THR 61 7.692% * 0.0601% (0.17 0.02 0.02) = 0.060% QG2 THR 38 - HN THR 61 7.692% * 0.0601% (0.17 0.02 0.02) = 0.060% Peak 1044 (0.37, 7.43, 108.50 ppm): 2 chemical-shift based assignments, quality = 0.249, support = 1.6, residual support = 4.28: * QD1 ILE 48 - HN THR 61 50.000% * 58.8192% (0.25 1.82 4.28) = 58.819% kept HG12 ILE 48 - HN THR 61 50.000% * 41.1808% (0.25 1.28 4.28) = 41.181% kept Peak 1045 (8.25, 8.25, 108.31 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1046 (4.27, 8.25, 108.31 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1047 (4.82, 8.25, 108.31 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1048 (3.90, 8.25, 108.31 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1049 (6.81, 8.25, 108.31 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1050 (9.03, 9.03, 108.30 ppm): 1 diagonal assignment: * HN THR 79 - HN THR 79 (0.92) kept Peak 1051 (4.55, 9.03, 108.30 ppm): 4 chemical-shift based assignments, quality = 0.363, support = 4.18, residual support = 20.7: * O HA LYS+ 78 - HN THR 79 25.000% * 91.4322% (0.31 10.0 4.53 22.64) = 91.432% kept HA LEU 17 - HN THR 79 25.000% * 8.1490% (1.00 1.0 0.55 0.02) = 8.149% kept HA ALA 103 - HN THR 79 25.000% * 0.2151% (0.73 1.0 0.02 0.02) = 0.215% HB THR 46 - HN THR 79 25.000% * 0.2036% (0.14 1.0 0.10 0.02) = 0.204% Peak 1052 (2.14, 9.03, 108.30 ppm): 10 chemical-shift based assignments, quality = 0.874, support = 4.09, residual support = 19.9: * HB3 LYS+ 78 - HN THR 79 10.000% * 87.9218% (0.90 4.61 22.64) = 87.922% kept HB VAL 47 - HN THR 79 10.000% * 6.8706% (0.76 0.42 0.02) = 6.871% kept HB2 ASP- 28 - HN THR 79 10.000% * 3.6528% (0.94 0.18 0.02) = 3.653% kept HG2 PRO 112 - HN THR 79 10.000% * 0.3920% (0.92 0.02 0.02) = 0.392% HB3 GLU- 75 - HN THR 79 10.000% * 0.3086% (0.73 0.02 0.02) = 0.309% HG2 GLU- 45 - HN THR 79 10.000% * 0.2920% (0.69 0.02 0.02) = 0.292% HB VAL 105 - HN THR 79 10.000% * 0.2069% (0.49 0.02 0.02) = 0.207% HG2 PRO 104 - HN THR 79 10.000% * 0.1312% (0.31 0.02 0.02) = 0.131% HB2 GLU- 56 - HN THR 79 10.000% * 0.1182% (0.28 0.02 0.02) = 0.118% HB VAL 87 - HN THR 79 10.000% * 0.1060% (0.25 0.02 0.02) = 0.106% Peak 1053 (2.36, 9.03, 108.30 ppm): 6 chemical-shift based assignments, quality = 0.427, support = 3.73, residual support = 16.6: * HB2 LYS+ 78 - HN THR 79 16.667% * 73.2137% (0.25 5.01 22.64) = 73.214% kept HG3 GLU- 50 - HN THR 79 16.667% * 17.9077% (1.00 0.31 0.02) = 17.908% kept HB2 GLU- 64 - HN THR 79 16.667% * 6.7231% (0.98 0.12 0.02) = 6.723% kept HG2 PRO 112 - HN THR 79 16.667% * 0.9218% (0.79 0.02 0.02) = 0.922% HB3 GLU- 50 - HN THR 79 16.667% * 0.6168% (0.53 0.02 0.02) = 0.617% HG3 GLU- 56 - HN THR 79 16.667% * 0.6168% (0.53 0.02 0.02) = 0.617% Peak 1054 (1.62, 9.03, 108.30 ppm): 11 chemical-shift based assignments, quality = 0.956, support = 4.08, residual support = 20.2: * HG3 LYS+ 78 - HN THR 79 9.091% * 89.0369% (0.99 4.55 22.64) = 89.037% kept HB ILE 68 - HN THR 79 9.091% * 4.9658% (0.83 0.30 0.02) = 4.966% kept HG LEU 43 - HN THR 79 9.091% * 4.0322% (0.83 0.24 0.02) = 4.032% kept HG2 LYS+ 110 - HN THR 79 9.091% * 0.3539% (0.90 0.02 0.02) = 0.354% HB VAL 122 - HN THR 79 9.091% * 0.3296% (0.83 0.02 0.02) = 0.330% HG12 ILE 101 - HN THR 79 9.091% * 0.3160% (0.80 0.02 0.02) = 0.316% HB3 PRO 52 - HN THR 79 9.091% * 0.3016% (0.76 0.02 0.02) = 0.302% HG LEU 23 - HN THR 79 9.091% * 0.2865% (0.73 0.02 0.02) = 0.287% HD3 LYS+ 32 - HN THR 79 9.091% * 0.2393% (0.61 0.02 0.02) = 0.239% HG2 ARG+ 22 - HN THR 79 9.091% * 0.0691% (0.17 0.02 0.02) = 0.069% HB3 LYS+ 32 - HN THR 79 9.091% * 0.0691% (0.17 0.02 0.02) = 0.069% Peak 1055 (7.53, 9.03, 108.30 ppm): 1 chemical-shift based assignment, quality = 0.964, support = 2.54, residual support = 10.5: * T HN ASP- 82 - HN THR 79 100.000% *100.0000% (0.96 10.00 2.54 10.55) = 100.000% kept Peak 1056 (1.10, 9.03, 108.30 ppm): 3 chemical-shift based assignments, quality = 0.972, support = 4.01, residual support = 26.9: * QG2 THR 79 - HN THR 79 33.333% * 96.8653% (0.99 4.13 27.82) = 96.865% kept QG2 THR 95 - HN THR 79 33.333% * 2.9224% (0.45 0.28 0.02) = 2.922% kept QG2 THR 61 - HN THR 79 33.333% * 0.2124% (0.45 0.02 0.80) = 0.212% Peak 1057 (1.36, 9.03, 108.30 ppm): 7 chemical-shift based assignments, quality = 0.731, support = 3.22, residual support = 15.2: * HG2 LYS+ 78 - HN THR 79 14.286% * 51.1597% (0.73 4.81 22.64) = 51.160% kept QG2 THR 39 - HN THR 79 14.286% * 20.8840% (0.53 2.71 16.04) = 20.884% kept HG3 LYS+ 81 - HN THR 79 14.286% * 13.1389% (0.94 0.95 1.01) = 13.139% kept HB3 LYS+ 20 - HN THR 79 14.286% * 7.8303% (0.98 0.55 1.30) = 7.830% kept HB3 LEU 17 - HN THR 79 14.286% * 4.0585% (0.99 0.28 0.02) = 4.059% kept HG13 ILE 68 - HN THR 79 14.286% * 2.6459% (0.34 0.53 0.02) = 2.646% kept QB ALA 11 - HN THR 79 14.286% * 0.2827% (0.96 0.02 0.02) = 0.283% Peak 1058 (8.32, 8.33, 108.04 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1059 (3.92, 8.33, 108.04 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1060 (8.23, 8.24, 106.55 ppm): 1 diagonal assignment: * HN GLY 58 - HN GLY 58 (0.95) kept Peak 1061 (2.21, 8.24, 106.55 ppm): 14 chemical-shift based assignments, quality = 0.884, support = 3.28, residual support = 17.6: * O HA1 GLY 58 - HN GLY 58 7.143% * 96.5178% (0.89 10.0 3.38 18.23) = 96.518% kept HG2 PRO 112 - HN GLY 58 7.143% * 2.7966% (0.99 1.0 0.52 0.02) = 2.797% kept HG3 MET 126 - HN GLY 58 7.143% * 0.1039% (0.95 1.0 0.02 0.02) = 0.104% HG3 MET 97 - HN GLY 58 7.143% * 0.0965% (0.89 1.0 0.02 0.02) = 0.097% HB2 GLU- 50 - HN GLY 58 7.143% * 0.0862% (0.79 1.0 0.02 0.02) = 0.086% HG3 GLU- 18 - HN GLY 58 7.143% * 0.0781% (0.72 1.0 0.02 0.02) = 0.078% HG2 MET 126 - HN GLY 58 7.143% * 0.0739% (0.68 1.0 0.02 0.02) = 0.074% HG3 GLN 102 - HN GLY 58 7.143% * 0.0653% (0.60 1.0 0.02 0.02) = 0.065% HG3 GLU- 109 - HN GLY 58 7.143% * 0.0524% (0.48 1.0 0.02 0.02) = 0.052% HB2 PRO 52 - HN GLY 58 7.143% * 0.0524% (0.48 1.0 0.02 0.02) = 0.052% HB VAL 99 - HN GLY 58 7.143% * 0.0240% (0.22 1.0 0.02 0.02) = 0.024% HB3 PRO 104 - HN GLY 58 7.143% * 0.0213% (0.20 1.0 0.02 0.02) = 0.021% HB3 GLU- 45 - HN GLY 58 7.143% * 0.0166% (0.15 1.0 0.02 0.02) = 0.017% HB3 GLU- 75 - HN GLY 58 7.143% * 0.0151% (0.14 1.0 0.02 0.02) = 0.015% Peak 1062 (2.80, 8.24, 106.55 ppm): 6 chemical-shift based assignments, quality = 0.933, support = 2.96, residual support = 17.7: * O HA2 GLY 58 - HN GLY 58 16.667% * 96.8577% (0.94 10.0 3.04 18.23) = 96.858% kept HE3 LYS+ 32 - HN GLY 58 16.667% * 2.9196% (0.91 1.0 0.62 0.02) = 2.920% kept HE3 LYS+ 111 - HN GLY 58 16.667% * 0.0783% (0.76 1.0 0.02 0.02) = 0.078% HB3 ASN 89 - HN GLY 58 16.667% * 0.0621% (0.60 1.0 0.02 0.02) = 0.062% HB2 ASN 119 - HN GLY 58 16.667% * 0.0621% (0.60 1.0 0.02 0.02) = 0.062% HB3 ASN 119 - HN GLY 58 16.667% * 0.0203% (0.20 1.0 0.02 0.02) = 0.020% Peak 1063 (4.38, 8.24, 106.55 ppm): 13 chemical-shift based assignments, quality = 0.498, support = 2.61, residual support = 12.4: * O HA ASN 57 - HN GLY 58 7.692% * 93.7481% (0.48 10.0 2.77 13.11) = 93.748% kept HA LYS+ 60 - HN GLY 58 7.692% * 3.5961% (0.94 1.0 0.39 0.13) = 3.596% kept HA TRP 51 - HN GLY 58 7.692% * 1.4469% (0.91 1.0 0.16 5.39) = 1.447% kept HA SER 27 - HN GLY 58 7.692% * 0.1922% (0.99 1.0 0.02 0.02) = 0.192% HA ALA 37 - HN GLY 58 7.692% * 0.1909% (0.98 1.0 0.02 0.02) = 0.191% HA ALA 91 - HN GLY 58 7.692% * 0.1822% (0.94 1.0 0.02 0.02) = 0.182% HA SER 88 - HN GLY 58 7.692% * 0.1671% (0.86 1.0 0.02 0.02) = 0.167% HB THR 61 - HN GLY 58 7.692% * 0.1399% (0.72 1.0 0.02 0.02) = 0.140% HA2 GLY 26 - HN GLY 58 7.692% * 0.1168% (0.60 1.0 0.02 0.02) = 0.117% HA THR 95 - HN GLY 58 7.692% * 0.0863% (0.44 1.0 0.02 0.02) = 0.086% HA PRO 104 - HN GLY 58 7.692% * 0.0657% (0.34 1.0 0.02 0.02) = 0.066% HA PRO 112 - HN GLY 58 7.692% * 0.0381% (0.20 1.0 0.02 0.02) = 0.038% HA PRO 116 - HN GLY 58 7.692% * 0.0297% (0.15 1.0 0.02 0.02) = 0.030% Peak 1064 (8.81, 8.24, 106.55 ppm): 4 chemical-shift based assignments, quality = 0.898, support = 2.66, residual support = 12.3: * T HN ASN 57 - HN GLY 58 25.000% * 94.0535% (0.91 10.00 2.77 13.11) = 94.054% kept HN LYS+ 60 - HN GLY 58 25.000% * 3.5151% (0.60 1.00 1.14 0.13) = 3.515% kept HN LYS+ 32 - HN GLY 58 25.000% * 2.2226% (0.83 1.00 0.52 0.02) = 2.223% kept HN SER 69 - HN GLY 58 25.000% * 0.2088% (0.25 1.00 0.16 0.02) = 0.209% Peak 1065 (1.73, 8.24, 106.55 ppm): 6 chemical-shift based assignments, quality = 0.553, support = 1.66, residual support = 7.19: HB ILE 48 - HN GLY 58 16.667% * 53.5931% (0.79 1.15 1.16) = 53.593% kept HD3 PRO 59 - HN GLY 58 16.667% * 36.6893% (0.22 2.82 17.89) = 36.689% kept HB2 GLN 16 - HN GLY 58 16.667% * 6.6456% (0.64 0.18 0.02) = 6.646% kept HB2 LEU 17 - HN GLY 58 16.667% * 1.6067% (0.34 0.08 0.02) = 1.607% kept HB3 LEU 23 - HN GLY 58 16.667% * 0.7562% (0.64 0.02 0.02) = 0.756% HB2 LYS+ 117 - HN GLY 58 16.667% * 0.7090% (0.60 0.02 0.02) = 0.709% Peak 1066 (9.49, 8.24, 106.55 ppm): 3 chemical-shift based assignments, quality = 0.864, support = 1.64, residual support = 3.77: * HE1 TRP 51 - HN GLY 58 33.333% * 52.1996% (0.76 1.92 5.39) = 52.200% kept HN ALA 70 - HN GLY 58 33.333% * 47.6227% (0.99 1.34 2.01) = 47.623% kept HN HIS+ 98 - HN GLY 58 33.333% * 0.1777% (0.25 0.02 0.02) = 0.178% Peak 1067 (2.90, 8.24, 106.55 ppm): 5 chemical-shift based assignments, quality = 0.849, support = 3.41, residual support = 12.3: * HB3 ASN 57 - HN GLY 58 20.000% * 93.4627% (0.86 3.64 13.11) = 93.463% kept HE3 LYS+ 81 - HN GLY 58 20.000% * 5.9503% (0.79 0.25 0.02) = 5.950% kept HB2 HIS+ 98 - HN GLY 58 20.000% * 0.3355% (0.56 0.02 0.02) = 0.335% HB2 CYS 121 - HN GLY 58 20.000% * 0.1478% (0.25 0.02 0.02) = 0.148% HE3 LYS+ 60 - HN GLY 58 20.000% * 0.1038% (0.17 0.02 0.13) = 0.104% Peak 1068 (-0.95, 8.24, 103.33 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1069 (6.70, 8.24, 103.33 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1070 (3.15, 8.24, 103.33 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1071 (3.45, 8.37, 103.40 ppm): 6 chemical-shift based assignments, quality = 0.467, support = 2.77, residual support = 13.0: * O HA1 GLY 71 - HN GLY 71 16.667% * 84.4072% (0.41 10.0 3.11 15.29) = 84.407% kept HA VAL 62 - HN GLY 71 16.667% * 8.0914% (0.94 1.0 0.83 0.24) = 8.091% kept HA ILE 48 - HN GLY 71 16.667% * 7.0229% (0.64 1.0 1.06 0.78) = 7.023% kept HA VAL 40 - HN GLY 71 16.667% * 0.1841% (0.89 1.0 0.02 0.02) = 0.184% HA VAL 80 - HN GLY 71 16.667% * 0.1781% (0.86 1.0 0.02 0.02) = 0.178% HD3 PRO 31 - HN GLY 71 16.667% * 0.1162% (0.56 1.0 0.02 0.02) = 0.116% Peak 1072 (8.36, 8.37, 103.40 ppm): 1 diagonal assignment: * HN GLY 71 - HN GLY 71 (0.92) kept Peak 1073 (4.10, 8.37, 103.40 ppm): 6 chemical-shift based assignments, quality = 0.984, support = 2.69, residual support = 13.9: * O HA ALA 70 - HN GLY 71 16.667% * 99.1508% (0.99 10.0 2.72 14.06) = 99.151% kept HA THR 46 - HN GLY 71 16.667% * 0.5704% (0.86 1.0 0.13 0.02) = 0.570% HA LYS+ 63 - HN GLY 71 16.667% * 0.0985% (0.99 1.0 0.02 0.02) = 0.098% HB3 SER 49 - HN GLY 71 16.667% * 0.0796% (0.80 1.0 0.02 0.02) = 0.080% HA THR 24 - HN GLY 71 16.667% * 0.0759% (0.76 1.0 0.02 0.02) = 0.076% HA ARG+ 53 - HN GLY 71 16.667% * 0.0248% (0.25 1.0 0.02 0.02) = 0.025% Peak 1074 (0.66, 8.37, 103.40 ppm): 7 chemical-shift based assignments, quality = 0.608, support = 1.36, residual support = 0.988: QG2 ILE 48 - HN GLY 71 14.286% * 40.2470% (0.91 1.51 0.78) = 40.247% kept QG1 VAL 62 - HN GLY 71 14.286% * 17.3474% (0.76 0.78 0.24) = 17.347% kept * QG2 ILE 68 - HN GLY 71 14.286% * 12.3766% (0.25 1.70 2.95) = 12.377% kept HG12 ILE 19 - HN GLY 71 14.286% * 12.2679% (0.28 1.51 0.51) = 12.268% kept QG2 ILE 101 - HN GLY 71 14.286% * 11.7488% (0.29 1.38 1.48) = 11.749% kept QD1 ILE 19 - HN GLY 71 14.286% * 5.8669% (0.20 1.02 0.51) = 5.867% kept QG2 VAL 94 - HN GLY 71 14.286% * 0.1454% (0.25 0.02 0.02) = 0.145% Peak 1075 (1.47, 8.37, 103.40 ppm): 7 chemical-shift based assignments, quality = 0.684, support = 2.8, residual support = 10.7: * QB ALA 70 - HN GLY 71 14.286% * 75.3736% (0.64 3.57 14.06) = 75.374% kept HG13 ILE 48 - HN GLY 71 14.286% * 16.4192% (0.83 0.60 0.78) = 16.419% kept HB3 LEU 67 - HN GLY 71 14.286% * 6.2720% (0.99 0.19 0.02) = 6.272% kept HG3 PRO 52 - HN GLY 71 14.286% * 0.6406% (0.98 0.02 0.02) = 0.641% HB3 LYS+ 44 - HN GLY 71 14.286% * 0.4489% (0.68 0.02 0.02) = 0.449% HG2 PRO 59 - HN GLY 71 14.286% * 0.4228% (0.64 0.02 0.02) = 0.423% HG3 LYS+ 60 - HN GLY 71 14.286% * 0.4228% (0.64 0.02 0.02) = 0.423% Peak 1076 (7.96, 8.37, 103.40 ppm): 2 chemical-shift based assignments, quality = 0.937, support = 3.82, residual support = 12.4: * HN LYS+ 72 - HN GLY 71 50.000% * 96.7410% (0.96 3.93 12.79) = 96.741% kept HN LEU 43 - HN GLY 71 50.000% * 3.2590% (0.25 0.51 0.14) = 3.259% kept Peak 1077 (9.50, 8.37, 103.40 ppm): 2 chemical-shift based assignments, quality = 0.934, support = 2.7, residual support = 14.0: * HN ALA 70 - HN GLY 71 50.000% * 99.2690% (0.94 2.72 14.06) = 99.269% kept HE1 TRP 51 - HN GLY 71 50.000% * 0.7310% (0.94 0.02 0.02) = 0.731% Peak 1078 (4.90, 8.37, 103.40 ppm): 1 chemical-shift based assignment, quality = 0.446, support = 0.288, residual support = 0.511: HA ILE 19 - HN GLY 71 100.000% *100.0000% (0.45 0.29 0.51) = 100.000% kept Reference assignment not found: HA SER 69 - HN GLY 71 Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 1079 (-0.95, 12.93, 103.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1080 (10.50, 12.93, 103.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1081 (9.88, 12.93, 103.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1082 (5.92, 12.93, 103.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1083 (0.57, 12.93, 103.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1084 (-0.39, 12.93, 103.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1085 (1.38, 12.93, 103.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1086 (4.85, 12.93, 103.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1087 (0.84, 8.42, 122.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1088 (1.98, 8.42, 122.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1089 (4.77, 8.42, 122.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1090 (9.35, 9.36, 115.05 ppm): 1 diagonal assignment: * HN THR 24 - HN THR 24 (0.88) kept Peak 1091 (4.78, 9.36, 115.05 ppm): 2 chemical-shift based assignments, quality = 0.475, support = 4.84, residual support = 11.4: * O HA LEU 23 - HN THR 24 50.000% * 87.0994% (0.40 10.0 5.37 13.02) = 87.099% kept HA ASN 15 - HN THR 24 50.000% * 12.9006% (0.96 1.0 1.24 0.23) = 12.901% kept Peak 1092 (1.54, 9.36, 115.05 ppm): 9 chemical-shift based assignments, quality = 0.739, support = 3.19, residual support = 18.3: * QG2 THR 24 - HN THR 24 11.111% * 65.5991% (0.82 4.27 27.69) = 65.599% kept HG13 ILE 29 - HN THR 24 11.111% * 16.4385% (0.71 1.23 0.62) = 16.439% kept HG12 ILE 29 - HN THR 24 11.111% * 12.6326% (0.52 1.31 0.62) = 12.633% kept HB3 LEU 90 - HN THR 24 11.111% * 2.7910% (0.59 0.25 0.02) = 2.791% kept HG LEU 17 - HN THR 24 11.111% * 2.1042% (0.17 0.65 0.02) = 2.104% kept QB ALA 42 - HN THR 24 11.111% * 0.1936% (0.52 0.02 0.02) = 0.194% HD3 LYS+ 81 - HN THR 24 11.111% * 0.1023% (0.27 0.02 0.02) = 0.102% HD3 LYS+ 60 - HN THR 24 11.111% * 0.0819% (0.22 0.02 0.02) = 0.082% HB ILE 19 - HN THR 24 11.111% * 0.0568% (0.15 0.02 0.02) = 0.057% Peak 1093 (1.72, 9.36, 115.05 ppm): 4 chemical-shift based assignments, quality = 0.621, support = 2.4, residual support = 5.76: HB2 GLN 16 - HN THR 24 25.000% * 56.3812% (0.98 1.03 1.16) = 56.381% kept * HB3 LEU 23 - HN THR 24 25.000% * 39.1579% (0.15 4.61 13.02) = 39.158% kept HB ILE 48 - HN THR 24 25.000% * 4.2159% (0.24 0.31 0.02) = 4.216% kept HG2 PRO 52 - HN THR 24 25.000% * 0.2449% (0.22 0.02 0.02) = 0.245% Peak 1094 (4.09, 9.36, 115.05 ppm): 8 chemical-shift based assignments, quality = 0.876, support = 3.74, residual support = 27.6: * O HA THR 24 - HN THR 24 12.500% * 99.6936% (0.88 10.0 3.75 27.69) = 99.694% kept HB3 SER 49 - HN THR 24 12.500% * 0.0719% (0.63 1.0 0.02 0.02) = 0.072% HA LYS+ 63 - HN THR 24 12.500% * 0.0629% (0.55 1.0 0.02 0.02) = 0.063% HA ALA 70 - HN THR 24 12.500% * 0.0585% (0.52 1.0 0.02 0.02) = 0.058% HB2 SER 49 - HN THR 24 12.500% * 0.0379% (0.33 1.0 0.02 0.02) = 0.038% HA VAL 125 - HN THR 24 12.500% * 0.0309% (0.27 1.0 0.02 0.02) = 0.031% HA THR 46 - HN THR 24 12.500% * 0.0247% (0.22 1.0 0.02 0.02) = 0.025% HB THR 38 - HN THR 24 12.500% * 0.0195% (0.17 1.0 0.02 0.02) = 0.019% Peak 1095 (1.91, 9.36, 115.05 ppm): 13 chemical-shift based assignments, quality = 0.866, support = 3.85, residual support = 9.67: * HB2 LEU 23 - HN THR 24 7.692% * 73.1426% (0.93 4.88 13.02) = 73.143% kept HB ILE 29 - HN THR 24 7.692% * 17.5522% (0.78 1.38 0.62) = 17.552% kept HB2 PRO 112 - HN THR 24 7.692% * 4.7504% (0.88 0.34 0.02) = 4.750% kept HB3 GLN 16 - HN THR 24 7.692% * 3.0657% (0.27 0.70 1.16) = 3.066% kept HD3 LYS+ 63 - HN THR 24 7.692% * 0.3140% (0.97 0.02 0.02) = 0.314% HB3 GLN 102 - HN THR 24 7.692% * 0.2841% (0.88 0.02 0.02) = 0.284% HB3 ARG+ 53 - HN THR 24 7.692% * 0.2049% (0.63 0.02 0.02) = 0.205% HB3 CYS 123 - HN THR 24 7.692% * 0.1542% (0.48 0.02 0.02) = 0.154% HB2 PRO 116 - HN THR 24 7.692% * 0.1420% (0.44 0.02 0.02) = 0.142% HB2 GLU- 10 - HN THR 24 7.692% * 0.1420% (0.44 0.02 0.02) = 0.142% HG2 PRO 112 - HN THR 24 7.692% * 0.0971% (0.30 0.02 0.02) = 0.097% HG2 GLU- 18 - HN THR 24 7.692% * 0.0881% (0.27 0.02 0.02) = 0.088% HB2 GLU- 75 - HN THR 24 7.692% * 0.0627% (0.19 0.02 0.02) = 0.063% Peak 1096 (4.42, 9.36, 115.05 ppm): 11 chemical-shift based assignments, quality = 0.809, support = 3.06, residual support = 27.2: * O HB THR 24 - HN THR 24 9.091% * 98.0471% (0.82 10.0 3.11 27.69) = 98.047% kept HA PRO 112 - HN THR 24 9.091% * 1.4177% (0.44 1.0 0.54 0.02) = 1.418% kept HA LYS+ 66 - HN THR 24 9.091% * 0.1110% (0.93 1.0 0.02 0.02) = 0.111% HA LYS+ 111 - HN THR 24 9.091% * 0.1018% (0.85 1.0 0.02 0.02) = 0.102% HA HIS+ 14 - HN THR 24 9.091% * 0.0897% (0.75 1.0 0.02 0.02) = 0.090% HA PRO 86 - HN THR 24 9.091% * 0.0712% (0.59 1.0 0.02 0.02) = 0.071% HA PRO 116 - HN THR 24 9.091% * 0.0618% (0.52 1.0 0.02 0.02) = 0.062% HA PRO 104 - HN THR 24 9.091% * 0.0326% (0.27 1.0 0.02 0.02) = 0.033% HA MET 118 - HN THR 24 9.091% * 0.0232% (0.19 1.0 0.02 0.02) = 0.023% HA THR 95 - HN THR 24 9.091% * 0.0232% (0.19 1.0 0.02 0.02) = 0.023% HA ASN 57 - HN THR 24 9.091% * 0.0206% (0.17 1.0 0.02 0.02) = 0.021% Peak 1098 (4.27, 8.43, 123.78 ppm): 38 chemical-shift based assignments, quality = 0.95, support = 2.63, residual support = 15.6: * O HA PRO 52 - HN ARG+ 53 2.632% * 65.3026% (0.99 10.0 3.53 23.27) = 65.303% kept O HA VAL 122 - HN CYS 123 2.632% * 30.3572% (0.92 10.0 1.00 1.21) = 30.357% kept HA LEU 90 - HN ARG+ 53 2.632% * 1.7680% (0.86 1.0 0.62 0.23) = 1.768% kept HA VAL 122 - HN ARG+ 53 2.632% * 1.1940% (0.91 1.0 0.40 0.02) = 1.194% kept HA PRO 52 - HN CYS 123 2.632% * 0.0658% (1.00 1.0 0.02 0.02) = 0.066% HA ARG+ 84 - HN CYS 123 2.632% * 0.0658% (1.00 1.0 0.02 0.02) = 0.066% HA SER 85 - HN CYS 123 2.632% * 0.0658% (1.00 1.0 0.02 0.02) = 0.066% HA VAL 94 - HN CYS 123 2.632% * 0.0656% (0.99 1.0 0.02 0.02) = 0.066% HA ARG+ 84 - HN ARG+ 53 2.632% * 0.0653% (0.99 1.0 0.02 0.02) = 0.065% HA SER 85 - HN ARG+ 53 2.632% * 0.0653% (0.99 1.0 0.02 0.02) = 0.065% HA VAL 94 - HN ARG+ 53 2.632% * 0.0652% (0.99 1.0 0.02 0.02) = 0.065% HA GLU- 56 - HN CYS 123 2.632% * 0.0607% (0.92 1.0 0.02 0.02) = 0.061% HA GLU- 56 - HN ARG+ 53 2.632% * 0.0603% (0.91 1.0 0.02 0.02) = 0.060% HA LEU 90 - HN CYS 123 2.632% * 0.0571% (0.86 1.0 0.02 0.02) = 0.057% HA GLU- 64 - HN CYS 123 2.632% * 0.0527% (0.80 1.0 0.02 0.02) = 0.053% HA GLU- 64 - HN ARG+ 53 2.632% * 0.0523% (0.79 1.0 0.02 0.02) = 0.052% HA GLU- 75 - HN CYS 123 2.632% * 0.0503% (0.76 1.0 0.02 0.02) = 0.050% HA GLU- 75 - HN ARG+ 53 2.632% * 0.0499% (0.76 1.0 0.02 0.02) = 0.050% HB3 CYS 121 - HN CYS 123 2.632% * 0.0452% (0.68 1.0 0.02 0.02) = 0.045% HB3 CYS 121 - HN ARG+ 53 2.632% * 0.0449% (0.68 1.0 0.02 0.02) = 0.045% HA THR 106 - HN CYS 123 2.632% * 0.0372% (0.56 1.0 0.02 0.02) = 0.037% HA THR 106 - HN ARG+ 53 2.632% * 0.0370% (0.56 1.0 0.02 0.02) = 0.037% HA CYS 121 - HN CYS 123 2.632% * 0.0346% (0.52 1.0 0.02 0.02) = 0.035% HA CYS 121 - HN ARG+ 53 2.632% * 0.0344% (0.52 1.0 0.02 0.02) = 0.034% HA GLU- 107 - HN CYS 123 2.632% * 0.0295% (0.45 1.0 0.02 0.02) = 0.029% HA ASN 119 - HN CYS 123 2.632% * 0.0295% (0.45 1.0 0.02 0.02) = 0.029% HA GLU- 107 - HN ARG+ 53 2.632% * 0.0293% (0.44 1.0 0.02 0.02) = 0.029% HA ASN 119 - HN ARG+ 53 2.632% * 0.0293% (0.44 1.0 0.02 0.02) = 0.029% HA ASN 76 - HN CYS 123 2.632% * 0.0270% (0.41 1.0 0.02 0.02) = 0.027% HA ASN 76 - HN ARG+ 53 2.632% * 0.0268% (0.41 1.0 0.02 0.02) = 0.027% HA ALA 11 - HN CYS 123 2.632% * 0.0224% (0.34 1.0 0.02 0.02) = 0.022% HA ALA 11 - HN ARG+ 53 2.632% * 0.0223% (0.34 1.0 0.02 0.02) = 0.022% HA ASP- 36 - HN CYS 123 2.632% * 0.0203% (0.31 1.0 0.02 0.02) = 0.020% HA ASP- 36 - HN ARG+ 53 2.632% * 0.0202% (0.30 1.0 0.02 0.02) = 0.020% HB3 SER 49 - HN CYS 123 2.632% * 0.0118% (0.18 1.0 0.02 0.02) = 0.012% HB3 SER 49 - HN ARG+ 53 2.632% * 0.0118% (0.18 1.0 0.02 0.02) = 0.012% HA PRO 59 - HN CYS 123 2.632% * 0.0115% (0.17 1.0 0.02 0.02) = 0.012% HA PRO 59 - HN ARG+ 53 2.632% * 0.0114% (0.17 1.0 0.02 0.02) = 0.011% Peak 1099 (1.90, 8.43, 123.78 ppm): 26 chemical-shift based assignments, quality = 0.921, support = 3.69, residual support = 24.6: * O HB3 ARG+ 53 - HN ARG+ 53 3.846% * 59.3796% (0.95 10.0 5.24 38.79) = 59.380% kept O HB3 CYS 123 - HN CYS 123 3.846% * 31.3299% (1.00 10.0 1.01 1.81) = 31.330% kept HD3 PRO 52 - HN ARG+ 53 3.846% * 4.4118% (0.27 1.0 5.16 23.27) = 4.412% kept HB3 ARG+ 53 - HN CYS 123 3.846% * 3.2281% (0.96 1.0 1.08 0.11) = 3.228% kept HD3 LYS+ 63 - HN ARG+ 53 3.846% * 0.5880% (0.56 1.0 0.34 0.02) = 0.588% HG2 PRO 112 - HN ARG+ 53 3.846% * 0.3488% (0.26 1.0 0.43 0.02) = 0.349% HB3 CYS 123 - HN ARG+ 53 3.846% * 0.0615% (0.99 1.0 0.02 0.11) = 0.062% HB3 GLN 16 - HN CYS 123 3.846% * 0.0572% (0.92 1.0 0.02 0.02) = 0.057% HG2 GLU- 18 - HN CYS 123 3.846% * 0.0572% (0.92 1.0 0.02 0.02) = 0.057% HB3 GLN 16 - HN ARG+ 53 3.846% * 0.0568% (0.91 1.0 0.02 0.02) = 0.057% HG2 GLU- 18 - HN ARG+ 53 3.846% * 0.0568% (0.91 1.0 0.02 0.02) = 0.057% HB2 PRO 112 - HN CYS 123 3.846% * 0.0554% (0.89 1.0 0.02 0.02) = 0.055% HB2 PRO 112 - HN ARG+ 53 3.846% * 0.0550% (0.88 1.0 0.02 0.02) = 0.055% HB3 GLN 102 - HN CYS 123 3.846% * 0.0474% (0.76 1.0 0.02 0.02) = 0.047% HB3 GLN 102 - HN ARG+ 53 3.846% * 0.0470% (0.76 1.0 0.02 0.02) = 0.047% HD3 LYS+ 63 - HN CYS 123 3.846% * 0.0351% (0.56 1.0 0.02 0.02) = 0.035% HG3 LYS+ 120 - HN CYS 123 3.846% * 0.0302% (0.48 1.0 0.02 0.02) = 0.030% HG3 LYS+ 120 - HN ARG+ 53 3.846% * 0.0299% (0.48 1.0 0.02 0.02) = 0.030% HB2 LEU 23 - HN CYS 123 3.846% * 0.0191% (0.31 1.0 0.02 0.02) = 0.019% HB2 LEU 23 - HN ARG+ 53 3.846% * 0.0190% (0.30 1.0 0.02 0.20) = 0.019% HD3 PRO 52 - HN CYS 123 3.846% * 0.0172% (0.28 1.0 0.02 0.02) = 0.017% HG2 PRO 112 - HN CYS 123 3.846% * 0.0165% (0.26 1.0 0.02 0.02) = 0.016% HB3 ARG+ 84 - HN CYS 123 3.846% * 0.0155% (0.25 1.0 0.02 0.02) = 0.015% HB3 ARG+ 84 - HN ARG+ 53 3.846% * 0.0153% (0.25 1.0 0.02 0.02) = 0.015% HB ILE 29 - HN CYS 123 3.846% * 0.0109% (0.17 1.0 0.02 0.02) = 0.011% HB ILE 29 - HN ARG+ 53 3.846% * 0.0108% (0.17 1.0 0.02 0.02) = 0.011% Peak 1100 (4.12, 8.43, 123.78 ppm): 18 chemical-shift based assignments, quality = 0.946, support = 4.58, residual support = 36.5: * O HA ARG+ 53 - HN ARG+ 53 5.556% * 94.1566% (0.95 10.0 4.81 38.79) = 94.157% kept HA ARG+ 53 - HN CYS 123 5.556% * 4.9956% (0.96 1.0 1.05 0.11) = 4.996% kept HB3 SER 49 - HN CYS 123 5.556% * 0.0922% (0.93 1.0 0.02 0.02) = 0.092% HB3 SER 49 - HN ARG+ 53 5.556% * 0.0916% (0.93 1.0 0.02 0.02) = 0.092% HA LYS+ 110 - HN CYS 123 5.556% * 0.0751% (0.76 1.0 0.02 0.02) = 0.075% HA LYS+ 110 - HN ARG+ 53 5.556% * 0.0746% (0.76 1.0 0.02 0.02) = 0.075% HA2 GLY 71 - HN CYS 123 5.556% * 0.0675% (0.68 1.0 0.02 0.02) = 0.067% HA THR 46 - HN CYS 123 5.556% * 0.0675% (0.68 1.0 0.02 0.02) = 0.067% HA2 GLY 71 - HN ARG+ 53 5.556% * 0.0670% (0.68 1.0 0.02 0.02) = 0.067% HA THR 46 - HN ARG+ 53 5.556% * 0.0670% (0.68 1.0 0.02 0.02) = 0.067% HB2 SER 88 - HN CYS 123 5.556% * 0.0441% (0.45 1.0 0.02 0.02) = 0.044% HB2 SER 88 - HN ARG+ 53 5.556% * 0.0437% (0.44 1.0 0.02 0.02) = 0.044% HA ALA 70 - HN CYS 123 5.556% * 0.0335% (0.34 1.0 0.02 0.02) = 0.034% HA ALA 70 - HN ARG+ 53 5.556% * 0.0333% (0.34 1.0 0.02 0.02) = 0.033% HA LYS+ 63 - HN CYS 123 5.556% * 0.0303% (0.31 1.0 0.02 0.02) = 0.030% HA LYS+ 63 - HN ARG+ 53 5.556% * 0.0301% (0.30 1.0 0.02 0.02) = 0.030% HA VAL 87 - HN CYS 123 5.556% * 0.0152% (0.15 1.0 0.02 0.02) = 0.015% HA VAL 87 - HN ARG+ 53 5.556% * 0.0151% (0.15 1.0 0.02 0.02) = 0.015% Peak 1101 (4.50, 8.43, 123.78 ppm): 14 chemical-shift based assignments, quality = 0.76, support = 1.51, residual support = 1.73: * O HA CYS 123 - HN CYS 123 7.143% * 95.0807% (0.76 10.0 1.57 1.81) = 95.081% kept HA LYS+ 55 - HN ARG+ 53 7.143% * 2.8471% (0.93 1.0 0.38 0.34) = 2.847% kept HA LYS+ 55 - HN CYS 123 7.143% * 1.0471% (0.94 1.0 0.14 0.02) = 1.047% kept HB THR 79 - HN CYS 123 7.143% * 0.1566% (0.99 1.0 0.02 0.02) = 0.157% HB THR 79 - HN ARG+ 53 7.143% * 0.1555% (0.98 1.0 0.02 0.02) = 0.155% HA SER 77 - HN CYS 123 7.143% * 0.1208% (0.76 1.0 0.02 0.02) = 0.121% HA CYS 123 - HN ARG+ 53 7.143% * 0.1199% (0.76 1.0 0.02 0.11) = 0.120% HA SER 77 - HN ARG+ 53 7.143% * 0.1199% (0.76 1.0 0.02 0.02) = 0.120% HB THR 46 - HN CYS 123 7.143% * 0.1085% (0.68 1.0 0.02 0.02) = 0.109% HB THR 46 - HN ARG+ 53 7.143% * 0.1078% (0.68 1.0 0.02 0.02) = 0.108% HA LYS+ 32 - HN CYS 123 7.143% * 0.0439% (0.28 1.0 0.02 0.02) = 0.044% HA LYS+ 32 - HN ARG+ 53 7.143% * 0.0436% (0.27 1.0 0.02 0.02) = 0.044% HA MET 126 - HN CYS 123 7.143% * 0.0244% (0.15 1.0 0.02 0.02) = 0.024% HA MET 126 - HN ARG+ 53 7.143% * 0.0242% (0.15 1.0 0.02 0.02) = 0.024% Peak 1102 (3.47, 8.82, 121.40 ppm): 5 chemical-shift based assignments, quality = 0.61, support = 3.13, residual support = 4.46: * HD3 PRO 31 - HN LYS+ 32 20.000% * 53.6725% (0.80 2.49 3.55) = 53.672% kept HA1 GLY 30 - HN LYS+ 32 20.000% * 44.6347% (0.41 4.03 5.73) = 44.635% kept HA VAL 40 - HN LYS+ 32 20.000% * 0.9327% (0.45 0.08 0.02) = 0.933% HA1 GLY 71 - HN LYS+ 32 20.000% * 0.4977% (0.92 0.02 0.02) = 0.498% HA VAL 80 - HN LYS+ 32 20.000% * 0.2624% (0.48 0.02 0.02) = 0.262% Peak 1103 (1.48, 9.49, 134.56 ppm): 10 chemical-shift based assignments, quality = 0.994, support = 2.88, residual support = 13.8: * O QB ALA 70 - HN ALA 70 10.000% * 99.6336% (1.00 10.0 2.89 13.82) = 99.634% kept HB3 LYS+ 44 - HN ALA 70 10.000% * 0.0990% (0.99 1.0 0.02 0.02) = 0.099% HB3 LEU 67 - HN ALA 70 10.000% * 0.0565% (0.57 1.0 0.02 0.02) = 0.057% HG3 PRO 52 - HN ALA 70 10.000% * 0.0486% (0.49 1.0 0.02 0.02) = 0.049% HD3 LYS+ 108 - HN ALA 70 10.000% * 0.0448% (0.45 1.0 0.02 0.02) = 0.045% HB2 LYS+ 72 - HN ALA 70 10.000% * 0.0341% (0.34 1.0 0.02 2.40) = 0.034% HG13 ILE 48 - HN ALA 70 10.000% * 0.0278% (0.28 1.0 0.02 0.02) = 0.028% HG3 LYS+ 72 - HN ALA 70 10.000% * 0.0249% (0.25 1.0 0.02 2.40) = 0.025% HG2 PRO 59 - HN ALA 70 10.000% * 0.0154% (0.15 1.0 0.02 0.02) = 0.015% HG3 LYS+ 60 - HN ALA 70 10.000% * 0.0154% (0.15 1.0 0.02 0.02) = 0.015% Peak 1104 (7.97, 7.97, 120.59 ppm): 1 diagonal assignment: * HN LEU 43 - HN LEU 43 (0.71) kept Peak 1106 (3.93, 8.45, 129.16 ppm): 4 chemical-shift based assignments, quality = 0.533, support = 5.9, residual support = 156.2: * O HA LEU 74 - HN LEU 74 25.000% * 98.2132% (0.53 10.0 6.01 159.05) = 98.213% kept HB THR 96 - HN LEU 74 25.000% * 1.6192% (0.99 1.0 0.18 0.02) = 1.619% kept HB2 SER 77 - HN LEU 74 25.000% * 0.0909% (0.49 1.0 0.02 0.02) = 0.091% HA1 GLY 114 - HN LEU 74 25.000% * 0.0767% (0.41 1.0 0.02 0.02) = 0.077% Peak 1107 (1.17, 8.45, 129.16 ppm): 5 chemical-shift based assignments, quality = 0.945, support = 5.57, residual support = 156.4: * O HB2 LEU 74 - HN LEU 74 20.000% * 98.3178% (0.95 10.0 5.66 159.05) = 98.318% kept QG2 THR 106 - HN LEU 74 20.000% * 1.4902% (0.98 1.0 0.29 0.02) = 1.490% kept HB2 LEU 43 - HN LEU 74 20.000% * 0.0959% (0.92 1.0 0.02 1.31) = 0.096% HG3 PRO 59 - HN LEU 74 20.000% * 0.0755% (0.73 1.0 0.02 1.54) = 0.075% QB ALA 33 - HN LEU 74 20.000% * 0.0206% (0.20 1.0 0.02 0.02) = 0.021% Peak 1108 (1.26, 8.45, 129.16 ppm): 5 chemical-shift based assignments, quality = 0.79, support = 5.14, residual support = 153.6: * O HB3 LEU 74 - HN LEU 74 20.000% * 96.5825% (0.80 10.0 5.29 159.05) = 96.583% kept HG13 ILE 101 - HN LEU 74 20.000% * 3.2116% (0.53 1.0 1.01 0.02) = 3.212% kept HG2 LYS+ 32 - HN LEU 74 20.000% * 0.1141% (0.95 1.0 0.02 0.57) = 0.114% HG2 LYS+ 81 - HN LEU 74 20.000% * 0.0732% (0.61 1.0 0.02 0.30) = 0.073% HB2 LYS+ 55 - HN LEU 74 20.000% * 0.0186% (0.15 1.0 0.02 0.02) = 0.019% Peak 1109 (-0.06, 8.45, 129.16 ppm): 1 chemical-shift based assignment, quality = 0.198, support = 6.48, residual support = 159.0: * QD1 LEU 74 - HN LEU 74 100.000% *100.0000% (0.20 6.48 159.05) = 100.000% kept Peak 1110 (2.52, 8.26, 122.13 ppm): 4 chemical-shift based assignments, quality = 0.593, support = 2.24, residual support = 18.6: * O HB2 ASP- 115 - HN ASP- 115 25.000% * 99.6788% (0.59 10.0 2.24 18.67) = 99.679% kept HB2 ASP- 36 - HN ASP- 115 25.000% * 0.1629% (0.97 1.0 0.02 0.02) = 0.163% HB3 PRO 59 - HN ASP- 115 25.000% * 0.1063% (0.63 1.0 0.02 0.02) = 0.106% HG2 PRO 112 - HN ASP- 115 25.000% * 0.0520% (0.31 1.0 0.02 0.02) = 0.052% Peak 1111 (9.50, 9.50, 128.89 ppm): 1 diagonal assignment: * HE1 TRP 51 - HE1 TRP 51 (1.00) kept Peak 1112 (7.31, 9.50, 128.89 ppm): 7 chemical-shift based assignments, quality = 0.456, support = 0.963, residual support = 41.8: * O HZ2 TRP 51 - HE1 TRP 51 14.286% * 96.0023% (0.45 10.0 1.00 43.48) = 96.002% kept HN ARG+ 84 - HE1 TRP 51 14.286% * 2.6160% (0.97 1.0 0.13 1.04) = 2.616% kept HN VAL 47 - HE1 TRP 51 14.286% * 0.4051% (0.95 1.0 0.02 3.62) = 0.405% QD PHE 34 - HE1 TRP 51 14.286% * 0.3841% (0.90 1.0 0.02 0.02) = 0.384% HN ILE 48 - HE1 TRP 51 14.286% * 0.2085% (0.49 1.0 0.02 0.02) = 0.208% HZ PHE 34 - HE1 TRP 51 14.286% * 0.1920% (0.45 1.0 0.02 0.02) = 0.192% QE PHE 34 - HE1 TRP 51 14.286% * 0.1920% (0.45 1.0 0.02 0.02) = 0.192% Peak 1113 (7.14, 9.50, 128.89 ppm): 1 chemical-shift based assignment, quality = 0.566, support = 1.0, residual support = 43.5: * O HD1 TRP 51 - HE1 TRP 51 100.000% *100.0000% (0.57 10.0 1.00 43.48) = 100.000% kept Peak 1114 (2.80, 9.50, 128.89 ppm): 6 chemical-shift based assignments, quality = 0.894, support = 1.7, residual support = 4.39: * HA2 GLY 58 - HE1 TRP 51 16.667% * 77.8288% (0.92 2.10 5.39) = 77.829% kept HE3 LYS+ 32 - HE1 TRP 51 16.667% * 13.2980% (0.90 0.37 1.46) = 13.298% kept HE3 LYS+ 111 - HE1 TRP 51 16.667% * 7.7568% (0.73 0.27 0.02) = 7.757% kept HB2 ASN 119 - HE1 TRP 51 16.667% * 0.5202% (0.65 0.02 0.02) = 0.520% HB3 ASN 89 - HE1 TRP 51 16.667% * 0.4553% (0.57 0.02 0.02) = 0.455% HB3 ASN 119 - HE1 TRP 51 16.667% * 0.1408% (0.18 0.02 0.02) = 0.141% Peak 1115 (2.22, 9.50, 128.89 ppm): 14 chemical-shift based assignments, quality = 0.914, support = 1.86, residual support = 10.1: HB2 PRO 52 - HE1 TRP 51 7.143% * 38.4011% (0.99 2.36 16.86) = 38.401% kept * HA1 GLY 58 - HE1 TRP 51 7.143% * 31.4068% (0.84 2.29 5.39) = 31.407% kept HB2 GLU- 50 - HE1 TRP 51 7.143% * 14.1944% (0.92 0.94 13.47) = 14.194% kept HG2 PRO 112 - HE1 TRP 51 7.143% * 12.8397% (1.00 0.78 0.43) = 12.840% kept HG3 GLU- 18 - HE1 TRP 51 7.143% * 1.1929% (0.97 0.08 0.02) = 1.193% kept HG3 GLN 102 - HE1 TRP 51 7.143% * 0.3281% (1.00 0.02 0.02) = 0.328% HG3 GLU- 109 - HE1 TRP 51 7.143% * 0.3260% (0.99 0.02 0.02) = 0.326% HG3 MET 97 - HE1 TRP 51 7.143% * 0.2747% (0.84 0.02 0.02) = 0.275% HG3 MET 126 - HE1 TRP 51 7.143% * 0.2388% (0.73 0.02 0.02) = 0.239% HB3 GLU- 45 - HE1 TRP 51 7.143% * 0.2259% (0.69 0.02 0.02) = 0.226% HG3 GLN 16 - HE1 TRP 51 7.143% * 0.1995% (0.61 0.02 0.30) = 0.199% HG3 GLU- 10 - HE1 TRP 51 7.143% * 0.1862% (0.57 0.02 0.02) = 0.186% HB3 ASN 15 - HE1 TRP 51 7.143% * 0.1352% (0.41 0.02 0.02) = 0.135% HG2 MET 126 - HE1 TRP 51 7.143% * 0.0507% (0.15 0.02 0.02) = 0.051% Peak 1116 (1.91, 9.50, 128.89 ppm): 13 chemical-shift based assignments, quality = 0.684, support = 0.557, residual support = 3.82: HB2 PRO 112 - HE1 TRP 51 7.692% * 28.8765% (0.89 0.61 0.43) = 28.876% kept HB2 LEU 23 - HE1 TRP 51 7.692% * 21.0086% (0.95 0.42 17.32) = 21.009% kept HB2 PRO 116 - HE1 TRP 51 7.692% * 17.1117% (0.45 0.72 0.02) = 17.112% kept HB3 ARG+ 53 - HE1 TRP 51 7.692% * 15.6302% (0.65 0.45 0.02) = 15.630% kept HG2 PRO 112 - HE1 TRP 51 7.692% * 12.7214% (0.31 0.78 0.43) = 12.721% kept HD3 LYS+ 63 - HE1 TRP 51 7.692% * 1.0532% (0.99 0.02 0.02) = 1.053% kept HB3 GLN 102 - HE1 TRP 51 7.692% * 0.9529% (0.90 0.02 0.02) = 0.953% HB ILE 29 - HE1 TRP 51 7.692% * 0.8508% (0.80 0.02 7.56) = 0.851% HB3 CYS 123 - HE1 TRP 51 7.692% * 0.5172% (0.49 0.02 0.02) = 0.517% HB2 GLU- 10 - HE1 TRP 51 7.692% * 0.4764% (0.45 0.02 0.02) = 0.476% HB3 GLN 16 - HE1 TRP 51 7.692% * 0.2954% (0.28 0.02 0.30) = 0.295% HG2 GLU- 18 - HE1 TRP 51 7.692% * 0.2954% (0.28 0.02 0.02) = 0.295% HB2 GLU- 75 - HE1 TRP 51 7.692% * 0.2103% (0.20 0.02 0.12) = 0.210% Reference assignment not found: HB3 PRO 59 - HE1 TRP 51 Peak 1117 (1.75, 9.50, 128.89 ppm): 9 chemical-shift based assignments, quality = 0.909, support = 1.94, residual support = 4.39: HD3 PRO 59 - HE1 TRP 51 11.111% * 62.8919% (0.98 2.71 1.63) = 62.892% kept HB3 LEU 23 - HE1 TRP 51 11.111% * 18.9840% (0.84 0.96 17.32) = 18.984% kept HB ILE 48 - HE1 TRP 51 11.111% * 5.4813% (0.69 0.34 0.02) = 5.481% kept HB2 LEU 17 - HE1 TRP 51 11.111% * 4.5739% (1.00 0.19 0.16) = 4.574% kept HB2 LYS+ 117 - HE1 TRP 51 11.111% * 4.4928% (0.87 0.22 0.80) = 4.493% kept HG2 ARG+ 84 - HE1 TRP 51 11.111% * 3.1264% (0.38 0.35 1.04) = 3.126% kept HB3 GLU- 18 - HE1 TRP 51 11.111% * 0.1946% (0.41 0.02 0.02) = 0.195% HB2 ARG+ 84 - HE1 TRP 51 11.111% * 0.1614% (0.34 0.02 1.04) = 0.161% HG3 ARG+ 53 - HE1 TRP 51 11.111% * 0.0937% (0.20 0.02 0.02) = 0.094% Reference assignment not found: HB2 PRO 59 - HE1 TRP 51 Peak 1118 (1.43, 9.50, 128.89 ppm): 15 chemical-shift based assignments, quality = 0.738, support = 0.689, residual support = 0.469: HG3 LYS+ 113 - HE1 TRP 51 6.667% * 34.6314% (0.99 0.62 0.14) = 34.631% kept * HG2 PRO 59 - HE1 TRP 51 6.667% * 24.1537% (0.28 1.54 1.63) = 24.154% kept HD3 LYS+ 113 - HE1 TRP 51 6.667% * 14.9047% (1.00 0.27 0.14) = 14.905% kept HG3 ARG+ 22 - HE1 TRP 51 6.667% * 12.7847% (1.00 0.23 0.02) = 12.785% kept HG3 LYS+ 60 - HE1 TRP 51 6.667% * 6.9459% (0.28 0.44 0.02) = 6.946% kept HG3 LYS+ 55 - HE1 TRP 51 6.667% * 1.1246% (1.00 0.02 0.24) = 1.125% kept QG2 THR 38 - HE1 TRP 51 6.667% * 1.0853% (0.97 0.02 0.02) = 1.085% kept QB ALA 91 - HE1 TRP 51 6.667% * 1.0381% (0.92 0.02 0.02) = 1.038% kept HG LEU 90 - HE1 TRP 51 6.667% * 0.9755% (0.87 0.02 0.02) = 0.975% HD3 LYS+ 44 - HE1 TRP 51 6.667% * 0.9393% (0.84 0.02 0.10) = 0.939% QB ALA 37 - HE1 TRP 51 6.667% * 0.4623% (0.41 0.02 0.02) = 0.462% HG LEU 67 - HE1 TRP 51 6.667% * 0.2804% (0.25 0.02 0.02) = 0.280% HG13 ILE 100 - HE1 TRP 51 6.667% * 0.2504% (0.22 0.02 1.40) = 0.250% QB ALA 93 - HE1 TRP 51 6.667% * 0.2504% (0.22 0.02 0.02) = 0.250% HG13 ILE 48 - HE1 TRP 51 6.667% * 0.1735% (0.15 0.02 0.02) = 0.174% Peak 1119 (9.29, 9.30, 121.49 ppm): 1 diagonal assignment: * HN ILE 29 - HN ILE 29 (0.80) kept Peak 1120 (4.31, 9.30, 121.49 ppm): 7 chemical-shift based assignments, quality = 0.99, support = 5.03, residual support = 61.2: * O HA ILE 29 - HN ILE 29 14.286% * 99.7171% (0.99 10.0 5.05 61.33) = 99.717% kept HA ALA 93 - HN ILE 29 14.286% * 0.0964% (0.96 1.0 0.02 0.02) = 0.096% HA ASP- 36 - HN ILE 29 14.286% * 0.0647% (0.64 1.0 0.02 0.02) = 0.065% HA CYS 121 - HN ILE 29 14.286% * 0.0411% (0.41 1.0 0.02 0.02) = 0.041% HA THR 106 - HN ILE 29 14.286% * 0.0375% (0.37 1.0 0.02 0.02) = 0.038% HB3 CYS 121 - HN ILE 29 14.286% * 0.0278% (0.28 1.0 0.02 0.02) = 0.028% HA LEU 90 - HN ILE 29 14.286% * 0.0154% (0.15 1.0 0.02 0.02) = 0.015% Peak 1121 (5.96, 9.30, 121.49 ppm): 1 chemical-shift based assignment, quality = 0.277, support = 5.02, residual support = 26.7: * O HA ASP- 28 - HN ILE 29 100.000% *100.0000% (0.28 10.0 5.02 26.71) = 100.000% kept Peak 1124 (0.83, 9.30, 121.49 ppm): 8 chemical-shift based assignments, quality = 0.925, support = 3.82, residual support = 51.1: * QD1 ILE 29 - HN ILE 29 12.500% * 81.1180% (0.98 4.60 61.33) = 81.118% kept QD2 LEU 17 - HN ILE 29 12.500% * 7.6443% (0.57 0.75 17.13) = 7.644% kept QG2 VAL 13 - HN ILE 29 12.500% * 6.2719% (0.80 0.44 0.02) = 6.272% kept QG1 VAL 13 - HN ILE 29 12.500% * 3.8204% (0.98 0.22 0.02) = 3.820% kept HG2 LYS+ 117 - HN ILE 29 12.500% * 0.3529% (0.98 0.02 0.02) = 0.353% QD2 LEU 67 - HN ILE 29 12.500% * 0.3427% (0.22 0.09 0.02) = 0.343% QG1 VAL 94 - HN ILE 29 12.500% * 0.2883% (0.80 0.02 0.02) = 0.288% QD2 LEU 90 - HN ILE 29 12.500% * 0.1614% (0.45 0.02 0.02) = 0.161% Peak 1125 (1.93, 9.30, 121.49 ppm): 14 chemical-shift based assignments, quality = 0.964, support = 4.9, residual support = 54.7: * O HB ILE 29 - HN ILE 29 7.143% * 86.3671% (0.99 10.0 5.25 61.33) = 86.367% kept HB2 LEU 23 - HN ILE 29 7.143% * 11.5311% (0.90 1.0 2.95 14.54) = 11.531% kept HG2 PRO 112 - HN ILE 29 7.143% * 1.6313% (0.34 1.0 1.12 0.85) = 1.631% kept HB2 GLU- 10 - HN ILE 29 7.143% * 0.0781% (0.90 1.0 0.02 0.02) = 0.078% HB2 PRO 116 - HN ILE 29 7.143% * 0.0781% (0.90 1.0 0.02 0.02) = 0.078% HD3 LYS+ 63 - HN ILE 29 7.143% * 0.0564% (0.65 1.0 0.02 0.02) = 0.056% HB2 GLU- 75 - HN ILE 29 7.143% * 0.0529% (0.61 1.0 0.02 0.02) = 0.053% HB2 PRO 112 - HN ILE 29 7.143% * 0.0473% (0.54 1.0 0.02 0.85) = 0.047% HB3 GLN 102 - HN ILE 29 7.143% * 0.0391% (0.45 1.0 0.02 0.02) = 0.039% HB3 LYS+ 55 - HN ILE 29 7.143% * 0.0358% (0.41 1.0 0.02 0.02) = 0.036% HG3 PRO 31 - HN ILE 29 7.143% * 0.0327% (0.37 1.0 0.02 0.02) = 0.033% HB3 ARG+ 53 - HN ILE 29 7.143% * 0.0194% (0.22 1.0 0.02 0.02) = 0.019% HB2 PRO 35 - HN ILE 29 7.143% * 0.0172% (0.20 1.0 0.02 0.02) = 0.017% HG3 PRO 116 - HN ILE 29 7.143% * 0.0134% (0.15 1.0 0.02 0.02) = 0.013% Peak 1127 (6.64, 6.64, 110.39 ppm): 1 diagonal assignment: HE21 GLN 102 - HE21 GLN 102 (0.44) kept Peak 1129 (8.28, 8.28, 120.11 ppm): 1 diagonal assignment: * HN ASN 89 - HN ASN 89 (0.91) kept Peak 1130 (4.68, 8.28, 120.11 ppm): 16 chemical-shift based assignments, quality = 0.943, support = 1.66, residual support = 3.96: * O HA ASN 89 - HN ASN 89 6.250% * 99.5793% (0.95 10.0 1.67 3.97) = 99.579% kept HA TYR 83 - HN ASN 89 6.250% * 0.0991% (0.79 1.0 0.02 0.02) = 0.099% HA PRO 35 - HN ASN 89 6.250% * 0.0700% (0.56 1.0 0.02 0.02) = 0.070% HA GLN 16 - HN ASN 89 6.250% * 0.0602% (0.48 1.0 0.02 0.02) = 0.060% HA VAL 99 - HN ASN 89 6.250% * 0.0422% (0.33 1.0 0.02 0.02) = 0.042% HA LYS+ 120 - HN ASN 89 6.250% * 0.0344% (0.27 1.0 0.02 0.02) = 0.034% HA THR 61 - HN ASN 89 6.250% * 0.0275% (0.22 1.0 0.02 0.02) = 0.028% HA ASN 89 - HN GLU- 12 6.250% * 0.0179% (0.14 1.0 0.02 0.02) = 0.018% HA THR 39 - HN ASN 89 6.250% * 0.0167% (0.13 1.0 0.02 0.02) = 0.017% HA TYR 83 - HN GLU- 12 6.250% * 0.0149% (0.12 1.0 0.02 0.02) = 0.015% HA PRO 35 - HN GLU- 12 6.250% * 0.0105% (0.08 1.0 0.02 0.02) = 0.011% HA GLN 16 - HN GLU- 12 6.250% * 0.0090% (0.07 1.0 0.02 0.02) = 0.009% HA VAL 99 - HN GLU- 12 6.250% * 0.0063% (0.05 1.0 0.02 0.02) = 0.006% HA LYS+ 120 - HN GLU- 12 6.250% * 0.0052% (0.04 1.0 0.02 0.02) = 0.005% HA THR 61 - HN GLU- 12 6.250% * 0.0041% (0.03 1.0 0.02 0.02) = 0.004% HA THR 39 - HN GLU- 12 6.250% * 0.0025% (0.02 1.0 0.02 0.02) = 0.003% Peak 1131 (7.31, 7.31, 111.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1132 (6.82, 7.31, 111.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1133 (6.82, 6.81, 111.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1134 (7.31, 6.81, 111.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1135 (4.26, 8.82, 115.02 ppm): 21 chemical-shift based assignments, quality = 0.814, support = 3.18, residual support = 10.1: * O HA GLU- 56 - HN ASN 57 4.762% * 90.7476% (0.82 10.0 3.44 11.12) = 90.748% kept HA GLU- 75 - HN ASN 57 4.762% * 4.7216% (0.95 1.0 0.90 0.02) = 4.722% kept HA GLU- 64 - HN ASN 57 4.762% * 1.4501% (0.93 1.0 0.28 0.02) = 1.450% kept HA PRO 59 - HN ASN 57 4.762% * 1.1568% (0.67 1.0 0.31 0.02) = 1.157% kept HA VAL 94 - HN ASN 57 4.762% * 1.0117% (0.55 1.0 0.33 0.02) = 1.012% kept HA ASN 119 - HN ASN 57 4.762% * 0.1048% (0.95 1.0 0.02 0.02) = 0.105% HA GLU- 107 - HN ASN 57 4.762% * 0.1048% (0.95 1.0 0.02 0.02) = 0.105% HA ASN 76 - HN ASN 57 4.762% * 0.1028% (0.93 1.0 0.02 0.02) = 0.103% HA ALA 11 - HN ASN 57 4.762% * 0.0974% (0.88 1.0 0.02 0.02) = 0.097% HA ARG+ 84 - HN ASN 57 4.762% * 0.0659% (0.59 1.0 0.02 0.02) = 0.066% HA SER 85 - HN ASN 57 4.762% * 0.0659% (0.59 1.0 0.02 0.02) = 0.066% HA PRO 52 - HN ASN 57 4.762% * 0.0659% (0.59 1.0 0.02 0.02) = 0.066% HA LYS+ 108 - HN ASN 57 4.762% * 0.0447% (0.40 1.0 0.02 0.02) = 0.045% HA GLU- 54 - HN ASN 57 4.762% * 0.0447% (0.40 1.0 0.02 0.02) = 0.045% HA GLU- 10 - HN ASN 57 4.762% * 0.0447% (0.40 1.0 0.02 0.02) = 0.045% HA VAL 122 - HN ASN 57 4.762% * 0.0408% (0.37 1.0 0.02 0.02) = 0.041% HA LEU 90 - HN ASN 57 4.762% * 0.0335% (0.30 1.0 0.02 0.02) = 0.034% HB3 SER 49 - HN ASN 57 4.762% * 0.0288% (0.26 1.0 0.02 0.02) = 0.029% HA ALA 42 - HN ASN 57 4.762% * 0.0271% (0.24 1.0 0.02 0.02) = 0.027% HA SER 49 - HN ASN 57 4.762% * 0.0215% (0.19 1.0 0.02 0.02) = 0.022% HB3 CYS 121 - HN ASN 57 4.762% * 0.0190% (0.17 1.0 0.02 0.02) = 0.019% Peak 1138 (7.63, 7.63, 110.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1140 (2.83, 7.63, 110.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1141 (2.83, 7.05, 110.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1142 (8.95, 8.94, 125.29 ppm): 1 diagonal assignment: * HN ARG+ 22 - HN ARG+ 22 (0.98) kept Peak 1143 (2.93, 8.94, 123.00 ppm): 5 chemical-shift based assignments, quality = 0.554, support = 1.34, residual support = 0.735: HB2 HIS+ 98 - HN PHE 21 20.000% * 65.6733% (0.41 1.83 1.11) = 65.673% kept HE3 LYS+ 60 - HN PHE 21 20.000% * 31.2350% (0.87 0.41 0.02) = 31.235% kept HE3 LYS+ 81 - HN PHE 21 20.000% * 1.4561% (0.22 0.08 0.02) = 1.456% kept HB2 CYS 121 - HN PHE 21 20.000% * 1.3307% (0.76 0.02 0.02) = 1.331% kept HB3 ASN 57 - HN PHE 21 20.000% * 0.3049% (0.17 0.02 0.02) = 0.305% Reference assignment not found: HB2 PHE 21 - HN PHE 21 Peak 1144 (1.91, 8.94, 123.00 ppm): 12 chemical-shift based assignments, quality = 0.721, support = 2.64, residual support = 16.6: * HB ILE 29 - HN PHE 21 8.333% * 56.9929% (0.69 3.47 27.92) = 56.993% kept HB2 LEU 23 - HN PHE 21 8.333% * 36.6042% (0.87 1.76 1.89) = 36.604% kept HB2 PRO 116 - HN PHE 21 8.333% * 3.6847% (0.34 0.45 0.02) = 3.685% kept HD3 LYS+ 63 - HN PHE 21 8.333% * 0.4778% (1.00 0.02 0.02) = 0.478% HB3 GLN 102 - HN PHE 21 8.333% * 0.4622% (0.96 0.02 0.02) = 0.462% HB2 PRO 112 - HN PHE 21 8.333% * 0.4556% (0.95 0.02 0.02) = 0.456% HB3 ARG+ 53 - HN PHE 21 8.333% * 0.3660% (0.76 0.02 0.02) = 0.366% HB3 CYS 123 - HN PHE 21 8.333% * 0.2905% (0.61 0.02 0.02) = 0.290% HB3 GLN 16 - HN PHE 21 8.333% * 0.1797% (0.37 0.02 0.02) = 0.180% HG2 GLU- 18 - HN PHE 21 8.333% * 0.1797% (0.37 0.02 0.02) = 0.180% HB2 GLU- 10 - HN PHE 21 8.333% * 0.1633% (0.34 0.02 0.02) = 0.163% HG2 PRO 112 - HN PHE 21 8.333% * 0.1434% (0.30 0.02 0.02) = 0.143% Peak 1146 (5.35, 8.71, 122.58 ppm): 1 chemical-shift based assignment, quality = 0.56, support = 3.16, residual support = 8.54: HA THR 79 - HN VAL 40 100.000% *100.0000% (0.56 3.16 8.54) = 100.000% kept Peak 1150 (3.84, 8.21, 118.40 ppm): 9 chemical-shift based assignments, quality = 0.495, support = 0.325, residual support = 0.0787: HD3 PRO 86 - HN GLU- 45 11.111% * 32.1665% (0.56 0.29 0.02) = 32.166% kept HB3 SER 88 - HN GLU- 45 11.111% * 31.1851% (0.25 0.64 0.21) = 31.185% kept HA LYS+ 117 - HN GLU- 45 11.111% * 18.8280% (0.91 0.10 0.02) = 18.828% kept HB2 SER 85 - HN GLU- 45 11.111% * 5.3859% (0.22 0.12 0.02) = 5.386% kept HB3 SER 41 - HN GLU- 45 11.111% * 5.0595% (0.22 0.12 0.02) = 5.060% kept HA2 GLY 92 - HN GLU- 45 11.111% * 3.2802% (0.83 0.02 0.02) = 3.280% kept HD3 PRO 116 - HN GLU- 45 11.111% * 2.5405% (0.64 0.02 0.02) = 2.540% kept HB3 SER 77 - HN GLU- 45 11.111% * 0.7772% (0.20 0.02 0.02) = 0.777% HA2 GLY 114 - HN GLU- 45 11.111% * 0.7772% (0.20 0.02 0.02) = 0.777% Reference assignment not found: HA GLU- 45 - HN GLU- 45 Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 1151 (0.09, 7.30, 114.60 ppm): 2 chemical-shift based assignments, quality = 0.153, support = 6.26, residual support = 34.1: * QG2 VAL 47 - HN ILE 48 50.000% * 99.1235% (0.15 6.31 34.45) = 99.124% kept QG2 VAL 47 - HZ2 TRP 51 50.000% * 0.8765% (0.02 0.48 3.62) = 0.876% Peak 1152 (8.24, 8.24, 123.72 ppm): 1 diagonal assignment: * HN LEU 67 - HN LEU 67 (0.99) kept Peak 1153 (5.56, 9.25, 131.84 ppm): 1 chemical-shift based assignment, quality = 0.523, support = 2.32, residual support = 8.65: * HA LEU 67 - HN ILE 100 100.000% *100.0000% (0.52 2.32 8.65) = 100.000% kept Peak 1154 (4.06, 7.40, 116.14 ppm): 5 chemical-shift based assignments, quality = 0.706, support = 0.854, residual support = 0.766: HB2 SER 49 - HN GLU- 64 20.000% * 54.6004% (0.92 0.69 0.80) = 54.600% kept HB3 SER 49 - HN GLU- 64 20.000% * 40.8225% (0.40 1.17 0.80) = 40.823% kept HB THR 38 - HN GLU- 64 20.000% * 1.7259% (1.00 0.02 0.02) = 1.726% kept HA VAL 125 - HN GLU- 64 20.000% * 1.6656% (0.96 0.02 0.02) = 1.666% kept HB3 SER 85 - HN GLU- 64 20.000% * 1.1855% (0.68 0.02 0.02) = 1.186% kept Reference assignment not found: HA LYS+ 63 - HN GLU- 64 Peak 1156 (3.43, 7.40, 116.14 ppm): 4 chemical-shift based assignments, quality = 0.818, support = 2.41, residual support = 3.08: HA ILE 48 - HN GLU- 64 25.000% * 59.0007% (0.94 2.40 2.82) = 59.001% kept * HA VAL 62 - HN GLU- 64 25.000% * 40.7812% (0.64 2.43 3.47) = 40.781% kept HA VAL 40 - HN GLU- 64 25.000% * 0.1155% (0.22 0.02 0.02) = 0.115% HA VAL 80 - HN GLU- 64 25.000% * 0.1027% (0.20 0.02 0.02) = 0.103% Peak 1157 (4.96, 8.87, 121.88 ppm): 5 chemical-shift based assignments, quality = 0.64, support = 1.32, residual support = 8.62: HA HIS+ 98 - HN ILE 68 20.000% * 36.7267% (0.92 0.90 15.60) = 36.727% kept HA SER 69 - HN ILE 68 20.000% * 25.4290% (0.20 2.91 10.87) = 25.429% kept HA MET 97 - HN ILE 68 20.000% * 22.7842% (0.69 0.75 0.46) = 22.784% kept HA ILE 101 - HN ILE 68 20.000% * 14.6635% (0.65 0.51 0.10) = 14.664% kept HA ALA 33 - HN ILE 68 20.000% * 0.3966% (0.45 0.02 0.02) = 0.397% Reference assignment not found: HA ILE 68 - HN ILE 68 Peak 1158 (4.92, 8.74, 127.82 ppm): 3 chemical-shift based assignments, quality = 0.41, support = 5.84, residual support = 126.6: * O HA ILE 101 - HN ILE 101 33.333% * 98.1633% (0.41 10.0 5.94 128.96) = 98.163% kept HA ALA 33 - HN ILE 101 33.333% * 1.1931% (0.61 1.0 0.16 0.20) = 1.193% kept HA HIS+ 98 - HN ILE 101 33.333% * 0.6436% (0.17 1.0 0.31 0.11) = 0.644% Peak 1159 (4.73, 8.30, 121.53 ppm): 5 chemical-shift based assignments, quality = 0.239, support = 3.24, residual support = 18.8: * O HA VAL 99 - HN VAL 99 20.000% * 86.9518% (0.18 10.0 3.63 21.50) = 86.952% kept HA LYS+ 20 - HN VAL 99 20.000% * 12.1280% (0.70 1.0 0.72 1.05) = 12.128% kept HA THR 61 - HN VAL 99 20.000% * 0.5090% (0.27 1.0 0.08 0.02) = 0.509% HA2 GLY 30 - HN VAL 99 20.000% * 0.2211% (0.45 1.0 0.02 0.02) = 0.221% HA THR 39 - HN VAL 99 20.000% * 0.1901% (0.39 1.0 0.02 0.02) = 0.190% Peak 1160 (8.96, 8.60, 125.48 ppm): 6 chemical-shift based assignments, quality = 0.866, support = 4.45, residual support = 11.5: * T HN MET 97 - HN LYS+ 20 16.667% * 61.0004% (0.96 10.00 4.47 7.95) = 61.000% kept HN ILE 19 - HN LYS+ 20 16.667% * 13.6074% (0.65 1.00 6.66 45.32) = 13.607% kept HN LEU 17 - HN LYS+ 20 16.667% * 8.7479% (1.00 1.00 2.77 1.09) = 8.748% kept HN THR 96 - HN LYS+ 20 16.667% * 8.5840% (0.65 1.00 4.20 1.78) = 8.584% kept HN PHE 21 - HN LYS+ 20 16.667% * 5.5438% (0.53 1.00 3.33 4.33) = 5.544% kept HN ARG+ 22 - HN LYS+ 20 16.667% * 2.5164% (0.73 1.00 1.10 0.12) = 2.516% kept Peak 1161 (4.97, 9.47, 124.72 ppm): 6 chemical-shift based assignments, quality = 0.817, support = 2.33, residual support = 11.0: * O HA MET 97 - HN HIS+ 98 16.667% * 62.2902% (0.98 10.0 2.05 3.95) = 62.290% kept O HA HIS+ 98 - HN HIS+ 98 16.667% * 35.9783% (0.56 10.0 2.89 23.79) = 35.978% kept HA SER 69 - HN HIS+ 98 16.667% * 1.3786% (0.52 1.0 0.82 0.02) = 1.379% kept HA ILE 101 - HN HIS+ 98 16.667% * 0.2785% (0.28 1.0 0.32 0.11) = 0.278% HA ALA 33 - HN HIS+ 98 16.667% * 0.0634% (0.15 1.0 0.13 0.02) = 0.063% HA PRO 31 - HN HIS+ 98 16.667% * 0.0111% (0.17 1.0 0.02 0.02) = 0.011% Peak 1162 (3.97, 8.60, 125.48 ppm): 3 chemical-shift based assignments, quality = 0.549, support = 0.757, residual support = 0.706: HA1 GLY 92 - HN LYS+ 20 33.333% * 95.2822% (0.57 0.79 0.74) = 95.282% kept HA LEU 74 - HN LYS+ 20 33.333% * 3.5347% (0.20 0.08 0.02) = 3.535% kept HA1 GLY 114 - HN LYS+ 20 33.333% * 1.1831% (0.28 0.02 0.02) = 1.183% kept Peak 1163 (4.69, 8.60, 125.48 ppm): 8 chemical-shift based assignments, quality = 0.629, support = 0.47, residual support = 0.394: HA GLN 16 - HN LYS+ 20 12.500% * 24.9855% (0.87 0.35 0.02) = 24.985% kept HA THR 61 - HN LYS+ 20 12.500% * 24.3606% (0.57 0.52 0.12) = 24.361% kept HA THR 39 - HN LYS+ 20 12.500% * 23.7349% (0.41 0.70 0.50) = 23.735% kept HA VAL 99 - HN LYS+ 20 12.500% * 23.1052% (0.73 0.39 1.05) = 23.105% kept HA PRO 35 - HN LYS+ 20 12.500% * 1.5021% (0.22 0.08 0.02) = 1.502% kept HA ASN 89 - HN LYS+ 20 12.500% * 1.0689% (0.65 0.02 0.02) = 1.069% kept HA TYR 83 - HN LYS+ 20 12.500% * 0.6793% (0.41 0.02 0.02) = 0.679% HA2 GLY 30 - HN LYS+ 20 12.500% * 0.5636% (0.34 0.02 0.16) = 0.564% Reference assignment not found: HA LYS+ 20 - HN LYS+ 20 Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 1164 (9.46, 9.47, 124.72 ppm): 1 diagonal assignment: * HN HIS+ 98 - HN HIS+ 98 (0.76) kept Peak 1165 (8.76, 8.94, 125.29 ppm): 6 chemical-shift based assignments, quality = 0.747, support = 0.627, residual support = 0.526: T HN PHE 34 - HN ARG+ 22 16.667% * 53.2241% (1.00 10.00 0.49 0.19) = 53.224% kept T HN THR 95 - HN ARG+ 22 16.667% * 37.4934% (0.41 10.00 0.83 0.84) = 37.493% kept HN VAL 62 - HN ARG+ 22 16.667% * 5.5774% (0.97 1.00 0.53 0.02) = 5.577% kept HN ILE 101 - HN ARG+ 22 16.667% * 2.8795% (0.28 1.00 0.94 3.69) = 2.879% kept HN SER 69 - HN ARG+ 22 16.667% * 0.5238% (0.25 1.00 0.19 0.02) = 0.524% HN GLU- 56 - HN ARG+ 22 16.667% * 0.3019% (0.25 1.00 0.11 0.02) = 0.302% Peak 1166 (8.94, 8.78, 126.61 ppm): 6 chemical-shift based assignments, quality = 0.849, support = 2.84, residual support = 12.5: * T HN THR 96 - HN THR 95 16.667% * 51.5804% (0.98 10.00 4.31 17.55) = 51.580% kept T HN ARG+ 22 - HN THR 95 16.667% * 21.2431% (0.97 10.00 0.83 0.84) = 21.243% kept T HN LEU 17 - HN THR 95 16.667% * 14.9164% (0.67 10.00 0.84 1.09) = 14.916% kept T HN ILE 19 - HN THR 95 16.667% * 9.0333% (0.17 10.00 3.03 34.03) = 9.033% kept HN MET 97 - HN THR 95 16.667% * 2.0294% (0.48 1.00 1.62 0.61) = 2.029% kept HN PHE 21 - HN THR 95 16.667% * 1.1973% (0.96 1.00 0.47 0.02) = 1.197% kept Peak 1167 (7.90, 7.97, 120.59 ppm): 2 chemical-shift based assignments, quality = 0.535, support = 5.21, residual support = 27.8: * T HN LYS+ 44 - HN LEU 43 50.000% * 99.9323% (0.54 10.00 5.22 27.85) = 99.932% kept HN LEU 90 - HN LEU 43 50.000% * 0.0677% (0.36 1.00 0.02 0.02) = 0.068% Peak 1168 (7.32, 7.32, 122.31 ppm): 1 diagonal assignment: * HN VAL 47 - HN VAL 47 (0.99) kept Peak 1169 (8.73, 7.81, 122.18 ppm): 4 chemical-shift based assignments, quality = 0.916, support = 3.99, residual support = 16.0: * T HN GLU- 56 - HN LYS+ 55 25.000% * 95.4551% (0.94 10.00 4.17 16.74) = 95.455% kept T HN VAL 62 - HN LYS+ 55 25.000% * 3.3846% (0.22 10.00 0.30 0.02) = 3.385% kept HN ILE 101 - HN LYS+ 55 25.000% * 1.1292% (0.92 1.00 0.24 0.02) = 1.129% kept HN VAL 40 - HN LYS+ 55 25.000% * 0.0311% (0.31 1.00 0.02 0.02) = 0.031% Peak 1170 (3.50, 7.32, 122.31 ppm): 3 chemical-shift based assignments, quality = 0.252, support = 2.57, residual support = 19.5: * HA LYS+ 44 - HN VAL 47 33.333% * 91.6785% (0.25 2.78 21.28) = 91.679% kept HA1 GLY 26 - HN VAL 47 33.333% * 6.4019% (0.15 0.31 0.02) = 6.402% kept HA1 GLY 30 - HN VAL 47 33.333% * 1.9196% (0.73 0.02 0.02) = 1.920% kept Peak 1171 (3.70, 7.79, 118.77 ppm): 3 chemical-shift based assignments, quality = 0.966, support = 0.524, residual support = 2.11: HA LYS+ 81 - HN THR 46 33.333% * 58.9616% (1.00 0.70 3.57) = 58.962% kept HB3 SER 69 - HN THR 46 33.333% * 23.4253% (0.87 0.32 0.02) = 23.425% kept HB2 TRP 51 - HN THR 46 33.333% * 17.6130% (1.00 0.21 0.02) = 17.613% kept Reference assignment not found: HA LEU 43 - HN THR 46 Peak 1172 (9.28, 8.02, 117.84 ppm): 2 chemical-shift based assignments, quality = 0.688, support = 0.784, residual support = 0.382: HN LEU 23 - HN SER 27 50.000% * 54.3046% (0.87 0.63 0.37) = 54.305% kept HN ILE 29 - HN SER 27 50.000% * 45.6954% (0.47 0.97 0.39) = 45.695% kept Peak 1173 (5.97, 9.28, 130.07 ppm): 1 chemical-shift based assignment, quality = 0.422, support = 3.65, residual support = 6.17: * HA ASP- 28 - HN LEU 23 100.000% *100.0000% (0.42 3.65 6.17) = 100.000% kept Peak 1174 (5.18, 9.30, 121.49 ppm): 1 chemical-shift based assignment, quality = 0.723, support = 5.27, residual support = 20.8: HA ARG+ 22 - HN ILE 29 100.000% *100.0000% (0.72 5.27 20.80) = 100.000% kept Peak 1175 (4.72, 8.03, 123.92 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1176 (3.88, 8.03, 123.92 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1178 (7.40, 8.74, 120.07 ppm): 2 chemical-shift based assignments, quality = 0.632, support = 3.21, residual support = 6.58: * HN GLU- 64 - HN VAL 62 50.000% * 78.7098% (0.77 2.89 3.47) = 78.710% kept HN THR 61 - HN VAL 62 50.000% * 21.2902% (0.14 4.38 18.10) = 21.290% kept Peak 1179 (8.24, 8.24, 118.99 ppm): 2 diagonal assignments: * HN LYS+ 81 - HN LYS+ 81 (0.87) kept HN THR 106 - HN THR 106 (0.56) kept Peak 1180 (3.43, 8.24, 118.99 ppm): 8 chemical-shift based assignments, quality = 0.312, support = 2.84, residual support = 7.29: * O HA VAL 80 - HN LYS+ 81 12.500% * 72.5121% (0.17 10.0 3.58 9.98) = 72.512% kept HA ILE 48 - HN LYS+ 81 12.500% * 17.1803% (0.84 1.0 0.99 0.25) = 17.180% kept HA VAL 80 - HN THR 106 12.500% * 4.3194% (0.15 1.0 1.37 0.30) = 4.319% kept HA VAL 62 - HN LYS+ 81 12.500% * 3.6769% (0.57 1.0 0.31 0.12) = 3.677% kept HA ILE 48 - HN THR 106 12.500% * 1.9520% (0.73 1.0 0.13 0.02) = 1.952% kept HA VAL 62 - HN THR 106 12.500% * 0.2066% (0.50 1.0 0.02 0.02) = 0.207% HA VAL 40 - HN LYS+ 81 12.500% * 0.0816% (0.20 1.0 0.02 0.02) = 0.082% HA VAL 40 - HN THR 106 12.500% * 0.0711% (0.17 1.0 0.02 0.02) = 0.071% Peak 1181 (2.66, 8.24, 118.99 ppm): 6 chemical-shift based assignments, quality = 0.705, support = 2.79, residual support = 13.5: HB3 ASP- 82 - HN LYS+ 81 16.667% * 77.7772% (0.74 3.33 17.12) = 77.777% kept HB3 ASP- 82 - HN THR 106 16.667% * 20.3804% (0.64 1.00 0.69) = 20.380% kept HB3 ASP- 36 - HN LYS+ 81 16.667% * 0.5168% (0.82 0.02 0.02) = 0.517% HE2 LYS+ 120 - HN LYS+ 81 16.667% * 0.4676% (0.74 0.02 0.02) = 0.468% HB3 ASP- 36 - HN THR 106 16.667% * 0.4504% (0.71 0.02 0.02) = 0.450% HE2 LYS+ 120 - HN THR 106 16.667% * 0.4076% (0.64 0.02 0.02) = 0.408% Peak 1182 (1.35, 8.24, 118.79 ppm): 21 chemical-shift based assignments, quality = 0.736, support = 3.23, residual support = 37.8: * HG3 LYS+ 81 - HN LYS+ 81 4.762% * 72.3239% (0.84 4.09 51.84) = 72.324% kept HG3 LYS+ 81 - HN THR 106 4.762% * 15.8898% (0.53 1.41 2.05) = 15.890% kept HB3 LEU 17 - HN LYS+ 81 4.762% * 4.5892% (0.77 0.28 0.02) = 4.589% kept HB2 ARG+ 22 - HN LYS+ 81 4.762% * 2.6658% (0.17 0.72 0.02) = 2.666% kept QG2 THR 39 - HN LYS+ 81 4.762% * 1.9512% (0.17 0.53 0.02) = 1.951% kept HG2 LYS+ 78 - HN LYS+ 81 4.762% * 1.2843% (0.30 0.20 0.02) = 1.284% kept HB3 LYS+ 20 - HN LYS+ 81 4.762% * 0.2568% (0.61 0.02 0.02) = 0.257% QB ALA 11 - HN LYS+ 81 4.762% * 0.2418% (0.57 0.02 0.02) = 0.242% HB3 LEU 17 - HN THR 106 4.762% * 0.2069% (0.49 0.02 0.02) = 0.207% HB3 LYS+ 20 - HN THR 106 4.762% * 0.1639% (0.39 0.02 0.02) = 0.164% QB ALA 11 - HN THR 106 4.762% * 0.1543% (0.36 0.02 0.02) = 0.154% HG2 LYS+ 78 - HN THR 106 4.762% * 0.0814% (0.19 0.02 0.02) = 0.081% QG2 THR 39 - HN THR 106 4.762% * 0.0472% (0.11 0.02 0.02) = 0.047% HB2 ARG+ 22 - HN THR 106 4.762% * 0.0472% (0.11 0.02 0.02) = 0.047% HG3 LYS+ 81 - HN GLU- 45 4.762% * 0.0234% (0.06 0.02 0.23) = 0.023% HB3 LEU 17 - HN GLU- 45 4.762% * 0.0215% (0.05 0.02 0.02) = 0.022% HB3 LYS+ 20 - HN GLU- 45 4.762% * 0.0170% (0.04 0.02 0.02) = 0.017% QB ALA 11 - HN GLU- 45 4.762% * 0.0160% (0.04 0.02 0.88) = 0.016% HG2 LYS+ 78 - HN GLU- 45 4.762% * 0.0085% (0.02 0.02 0.02) = 0.008% QG2 THR 39 - HN GLU- 45 4.762% * 0.0049% (0.01 0.02 0.02) = 0.005% HB2 ARG+ 22 - HN GLU- 45 4.762% * 0.0049% (0.01 0.02 0.02) = 0.005% Peak 1183 (1.28, 8.24, 118.79 ppm): 18 chemical-shift based assignments, quality = 0.782, support = 3.44, residual support = 32.4: * HG2 LYS+ 81 - HN LYS+ 81 5.556% * 62.0494% (0.88 4.98 51.84) = 62.049% kept HB3 LEU 74 - HN LYS+ 81 5.556% * 12.4175% (0.79 1.10 0.30) = 12.417% kept HG2 LYS+ 81 - HN THR 106 5.556% * 11.0269% (0.56 1.39 2.05) = 11.027% kept HG2 LYS+ 32 - HN LYS+ 81 5.556% * 5.3077% (0.64 0.58 0.02) = 5.308% kept HB3 LEU 74 - HN THR 106 5.556% * 3.6470% (0.51 0.51 0.02) = 3.647% kept HB2 LYS+ 55 - HN LYS+ 81 5.556% * 2.9816% (0.64 0.33 0.02) = 2.982% kept QB ALA 103 - HN LYS+ 81 5.556% * 1.7727% (0.40 0.31 0.02) = 1.773% kept HG13 ILE 101 - HN LYS+ 81 5.556% * 0.2516% (0.88 0.02 0.02) = 0.252% HG13 ILE 101 - HN THR 106 5.556% * 0.1605% (0.56 0.02 0.02) = 0.161% HG2 LYS+ 32 - HN THR 106 5.556% * 0.1166% (0.41 0.02 0.02) = 0.117% HB2 LYS+ 55 - HN THR 106 5.556% * 0.1166% (0.41 0.02 0.02) = 0.117% QB ALA 103 - HN THR 106 5.556% * 0.0720% (0.25 0.02 0.02) = 0.072% HG13 ILE 101 - HN GLU- 45 5.556% * 0.0167% (0.06 0.02 0.02) = 0.017% HG2 LYS+ 81 - HN GLU- 45 5.556% * 0.0165% (0.06 0.02 0.23) = 0.017% HB3 LEU 74 - HN GLU- 45 5.556% * 0.0150% (0.05 0.02 0.02) = 0.015% HB2 LYS+ 55 - HN GLU- 45 5.556% * 0.0121% (0.04 0.02 0.02) = 0.012% HG2 LYS+ 32 - HN GLU- 45 5.556% * 0.0121% (0.04 0.02 0.02) = 0.012% QB ALA 103 - HN GLU- 45 5.556% * 0.0075% (0.03 0.02 0.02) = 0.007% Peak 1184 (4.37, 8.28, 120.11 ppm): 22 chemical-shift based assignments, quality = 0.659, support = 1.35, residual support = 2.63: * O HA SER 88 - HN ASN 89 4.545% * 97.6998% (0.67 10.0 1.38 2.69) = 97.700% kept HA ALA 91 - HN ASN 89 4.545% * 0.7324% (0.79 1.0 0.09 0.24) = 0.732% HA LYS+ 60 - HN ASN 89 4.545% * 0.2060% (0.98 1.0 0.02 0.02) = 0.206% HA TRP 51 - HN ASN 89 4.545% * 0.2055% (0.98 1.0 0.02 0.02) = 0.205% HA ALA 37 - HN ASN 89 4.545% * 0.2019% (0.96 1.0 0.02 0.02) = 0.202% HA SER 27 - HN ASN 89 4.545% * 0.1988% (0.95 1.0 0.02 0.02) = 0.199% HB THR 61 - HN ASN 89 4.545% * 0.1847% (0.88 1.0 0.02 0.02) = 0.185% HA2 GLY 26 - HN ASN 89 4.545% * 0.1649% (0.79 1.0 0.02 0.02) = 0.165% HA ASN 57 - HN ASN 89 4.545% * 0.0636% (0.30 1.0 0.02 0.02) = 0.064% HA THR 95 - HN ASN 89 4.545% * 0.0573% (0.27 1.0 0.02 0.02) = 0.057% HA PRO 104 - HN ASN 89 4.545% * 0.0408% (0.19 1.0 0.02 0.02) = 0.041% HA LYS+ 60 - HN GLU- 12 4.545% * 0.0309% (0.15 1.0 0.02 0.02) = 0.031% HA TRP 51 - HN GLU- 12 4.545% * 0.0308% (0.15 1.0 0.02 0.02) = 0.031% HA ALA 37 - HN GLU- 12 4.545% * 0.0303% (0.14 1.0 0.02 0.02) = 0.030% HA SER 27 - HN GLU- 12 4.545% * 0.0298% (0.14 1.0 0.02 0.02) = 0.030% HB THR 61 - HN GLU- 12 4.545% * 0.0277% (0.13 1.0 0.02 0.02) = 0.028% HA2 GLY 26 - HN GLU- 12 4.545% * 0.0247% (0.12 1.0 0.02 0.02) = 0.025% HA ALA 91 - HN GLU- 12 4.545% * 0.0247% (0.12 1.0 0.02 0.14) = 0.025% HA SER 88 - HN GLU- 12 4.545% * 0.0212% (0.10 1.0 0.02 0.02) = 0.021% HA ASN 57 - HN GLU- 12 4.545% * 0.0095% (0.05 1.0 0.02 0.02) = 0.010% HA THR 95 - HN GLU- 12 4.545% * 0.0086% (0.04 1.0 0.02 0.02) = 0.009% HA PRO 104 - HN GLU- 12 4.545% * 0.0061% (0.03 1.0 0.02 0.02) = 0.006% Peak 1186 (8.30, 8.29, 124.59 ppm): 1 diagonal assignment: * HN ALA 91 - HN ALA 91 (0.91) kept Peak 1188 (4.91, 8.96, 124.53 ppm): 6 chemical-shift based assignments, quality = 0.0832, support = 4.14, residual support = 62.0: O HA ILE 19 - HN ILE 19 16.667% * 61.3869% (0.06 10.0 5.40 96.68) = 61.387% kept HA ILE 19 - HN LEU 17 16.667% * 14.4213% (0.18 1.0 1.62 13.76) = 14.421% kept HA ALA 33 - HN LEU 17 16.667% * 9.2288% (0.15 1.0 1.18 0.69) = 9.229% kept HA ALA 33 - HN ILE 19 16.667% * 8.3223% (0.05 1.0 3.08 2.73) = 8.322% kept HA ILE 19 - HN THR 96 16.667% * 6.2901% (0.03 1.0 3.62 5.73) = 6.290% kept HA ALA 33 - HN THR 96 16.667% * 0.3506% (0.03 1.0 0.23 0.02) = 0.351% Peak 1189 (4.36, 8.96, 124.53 ppm): 24 chemical-shift based assignments, quality = 0.475, support = 0.587, residual support = 0.26: HA SER 27 - HN LEU 17 4.167% * 25.8010% (0.69 0.56 0.14) = 25.801% kept HB THR 61 - HN ILE 19 4.167% * 21.9382% (0.36 0.93 0.47) = 21.938% kept HA SER 88 - HN LEU 17 4.167% * 17.2004% (0.34 0.76 0.32) = 17.200% kept HA LYS+ 60 - HN ILE 19 4.167% * 12.5031% (0.30 0.63 0.42) = 12.503% kept HA2 GLY 26 - HN LEU 17 4.167% * 7.8404% (1.00 0.12 0.02) = 7.840% kept HA LYS+ 60 - HN THR 96 4.167% * 4.1724% (0.16 0.40 0.02) = 4.172% kept HA TRP 51 - HN ILE 19 4.167% * 1.6543% (0.31 0.08 0.48) = 1.654% kept HB THR 61 - HN LEU 17 4.167% * 1.3178% (0.99 0.02 0.02) = 1.318% kept HB THR 61 - HN THR 96 4.167% * 1.1936% (0.19 0.10 0.02) = 1.194% kept HA TRP 51 - HN LEU 17 4.167% * 1.1533% (0.87 0.02 0.16) = 1.153% kept HA LYS+ 60 - HN LEU 17 4.167% * 1.1106% (0.83 0.02 0.02) = 1.111% kept HA ALA 37 - HN LEU 17 4.167% * 0.9655% (0.72 0.02 0.02) = 0.965% HA ALA 91 - HN LEU 17 4.167% * 0.5961% (0.45 0.02 0.47) = 0.596% HA2 GLY 26 - HN ILE 19 4.167% * 0.4763% (0.36 0.02 0.02) = 0.476% HA ALA 37 - HN ILE 19 4.167% * 0.3466% (0.26 0.02 0.02) = 0.347% HA SER 27 - HN ILE 19 4.167% * 0.3279% (0.25 0.02 0.02) = 0.328% HA2 GLY 26 - HN THR 96 4.167% * 0.2516% (0.19 0.02 0.02) = 0.252% HA TRP 51 - HN THR 96 4.167% * 0.2187% (0.16 0.02 0.02) = 0.219% HA ALA 91 - HN ILE 19 4.167% * 0.2140% (0.16 0.02 0.02) = 0.214% HA ALA 37 - HN THR 96 4.167% * 0.1831% (0.14 0.02 0.02) = 0.183% HA SER 27 - HN THR 96 4.167% * 0.1732% (0.13 0.02 0.02) = 0.173% HA SER 88 - HN ILE 19 4.167% * 0.1628% (0.12 0.02 0.02) = 0.163% HA ALA 91 - HN THR 96 4.167% * 0.1130% (0.08 0.02 0.02) = 0.113% HA SER 88 - HN THR 96 4.167% * 0.0860% (0.06 0.02 0.02) = 0.086% Peak 1190 (8.30, 8.30, 121.53 ppm): 1 diagonal assignment: * HN VAL 99 - HN VAL 99 (0.63) kept Peak 1191 (1.35, 8.30, 121.53 ppm): 6 chemical-shift based assignments, quality = 0.469, support = 1.86, residual support = 2.66: HB3 LYS+ 20 - HN VAL 99 16.667% * 29.4800% (0.43 2.28 1.05) = 29.480% kept HB2 ARG+ 22 - HN VAL 99 16.667% * 23.1290% (0.25 3.05 9.56) = 23.129% kept HB3 LEU 17 - HN VAL 99 16.667% * 23.0456% (0.60 1.29 0.32) = 23.046% kept HG3 LYS+ 81 - HN VAL 99 16.667% * 16.8883% (0.69 0.82 0.36) = 16.888% kept QB ALA 11 - HN VAL 99 16.667% * 7.3478% (0.40 0.61 0.02) = 7.348% kept HG2 LYS+ 78 - HN VAL 99 16.667% * 0.1093% (0.18 0.02 0.02) = 0.109% Peak 1192 (1.21, 8.30, 121.53 ppm): 3 chemical-shift based assignments, quality = 0.709, support = 2.77, residual support = 11.2: HB3 ARG+ 22 - HN VAL 99 33.333% * 54.9035% (0.79 2.76 9.56) = 54.904% kept * HG12 ILE 100 - HN VAL 99 33.333% * 43.3946% (0.60 2.90 13.75) = 43.395% kept HB2 LEU 67 - HN VAL 99 33.333% * 1.7018% (0.82 0.08 0.43) = 1.702% kept Peak 1195 (4.76, 8.25, 118.98 ppm): 2 chemical-shift based assignments, quality = 0.445, support = 0.714, residual support = 1.1: HA ASN 15 - HN THR 106 50.000% * 58.2474% (0.52 0.69 1.30) = 58.247% kept HA ASN 15 - HN LYS+ 81 50.000% * 41.7526% (0.34 0.75 0.82) = 41.753% kept Peak 1196 (1.38, 8.34, 121.70 ppm): 24 chemical-shift based assignments, quality = 0.0898, support = 2.09, residual support = 4.81: HG13 ILE 100 - HN VAL 99 4.167% * 32.3841% (0.05 4.10 13.75) = 32.384% kept HB3 LYS+ 20 - HN VAL 99 4.167% * 23.3486% (0.07 2.28 1.05) = 23.349% kept HB3 LEU 17 - HN VAL 99 4.167% * 8.3856% (0.04 1.29 0.32) = 8.386% kept QB ALA 11 - HN VAL 99 4.167% * 6.7990% (0.07 0.61 0.02) = 6.799% kept HD3 LYS+ 20 - HN VAL 99 4.167% * 6.7114% (0.10 0.44 1.05) = 6.711% kept HG13 ILE 100 - HN GLU- 109 4.167% * 4.1426% (0.21 0.12 0.02) = 4.143% kept HG3 LYS+ 81 - HN VAL 99 4.167% * 3.8536% (0.03 0.82 0.36) = 3.854% kept QB ALA 93 - HN VAL 99 4.167% * 2.2917% (0.05 0.29 0.02) = 2.292% kept HG13 ILE 68 - HN GLU- 109 4.167% * 1.7812% (0.57 0.02 0.02) = 1.781% kept QG2 THR 39 - HN GLU- 109 4.167% * 1.7228% (0.55 0.02 0.02) = 1.723% kept HG2 LYS+ 78 - HN GLU- 109 4.167% * 1.4911% (0.48 0.02 0.02) = 1.491% kept HD3 LYS+ 20 - HN GLU- 109 4.167% * 1.2963% (0.41 0.02 0.02) = 1.296% kept QB ALA 11 - HN GLU- 109 4.167% * 0.9392% (0.30 0.02 0.02) = 0.939% HB3 LYS+ 20 - HN GLU- 109 4.167% * 0.8689% (0.28 0.02 0.02) = 0.869% QB ALA 93 - HN GLU- 109 4.167% * 0.6700% (0.21 0.02 0.02) = 0.670% HG LEU 67 - HN GLU- 109 4.167% * 0.6089% (0.19 0.02 0.02) = 0.609% HB3 LEU 17 - HN GLU- 109 4.167% * 0.5510% (0.18 0.02 0.02) = 0.551% HG13 ILE 68 - HN VAL 99 4.167% * 0.4195% (0.13 0.02 0.02) = 0.420% QG2 THR 39 - HN VAL 99 4.167% * 0.4058% (0.13 0.02 0.02) = 0.406% HG3 LYS+ 81 - HN GLU- 109 4.167% * 0.3974% (0.13 0.02 0.02) = 0.397% QB ALA 37 - HN GLU- 109 4.167% * 0.3533% (0.11 0.02 0.02) = 0.353% HG2 LYS+ 78 - HN VAL 99 4.167% * 0.3512% (0.11 0.02 0.02) = 0.351% HG LEU 67 - HN VAL 99 4.167% * 0.1434% (0.05 0.02 0.43) = 0.143% QB ALA 37 - HN VAL 99 4.167% * 0.0832% (0.03 0.02 0.02) = 0.083% Peak 1197 (4.78, 8.06, 119.92 ppm): 4 chemical-shift based assignments, quality = 0.988, support = 0.98, residual support = 5.04: O HA ASN 15 - HN ASN 15 25.000% * 97.4195% (0.99 10.0 1.00 5.17) = 97.419% kept HA ASN 15 - HN MET 118 25.000% * 2.4348% (0.97 1.0 0.26 0.02) = 2.435% kept HA LEU 23 - HN ASN 15 25.000% * 0.0738% (0.37 1.0 0.02 0.02) = 0.074% HA LEU 23 - HN MET 118 25.000% * 0.0719% (0.37 1.0 0.02 0.02) = 0.072% Reference assignment not found: HA MET 118 - HN MET 118 Peak 1198 (4.42, 8.06, 119.92 ppm): 22 chemical-shift based assignments, quality = 0.663, support = 1.11, residual support = 1.95: O HA HIS+ 14 - HN ASN 15 4.545% * 72.1281% (0.83 10.0 1.00 1.56) = 72.128% kept O HA MET 118 - HN MET 118 4.545% * 21.8605% (0.15 10.0 1.68 3.77) = 21.861% kept HA PRO 116 - HN MET 118 4.545% * 2.8537% (0.59 1.0 0.56 0.02) = 2.854% kept HA HIS+ 14 - HN MET 118 4.545% * 1.4670% (0.81 1.0 0.21 0.02) = 1.467% kept HA LYS+ 66 - HN ASN 15 4.545% * 0.1693% (0.98 1.0 0.02 0.02) = 0.169% HA LYS+ 66 - HN MET 118 4.545% * 0.1650% (0.95 1.0 0.02 0.02) = 0.165% HA LYS+ 111 - HN ASN 15 4.545% * 0.1383% (0.80 1.0 0.02 0.02) = 0.138% HA LYS+ 111 - HN MET 118 4.545% * 0.1348% (0.78 1.0 0.02 0.02) = 0.135% HB THR 24 - HN ASN 15 4.545% * 0.1320% (0.76 1.0 0.02 0.23) = 0.132% HB THR 24 - HN MET 118 4.545% * 0.1287% (0.74 1.0 0.02 0.02) = 0.129% HA PRO 86 - HN ASN 15 4.545% * 0.1186% (0.69 1.0 0.02 0.02) = 0.119% HA PRO 86 - HN MET 118 4.545% * 0.1157% (0.67 1.0 0.02 0.02) = 0.116% HA PRO 116 - HN ASN 15 4.545% * 0.1048% (0.61 1.0 0.02 0.02) = 0.105% HA PRO 112 - HN ASN 15 4.545% * 0.0909% (0.53 1.0 0.02 0.02) = 0.091% HA PRO 112 - HN MET 118 4.545% * 0.0886% (0.51 1.0 0.02 0.02) = 0.089% HA PRO 104 - HN ASN 15 4.545% * 0.0589% (0.34 1.0 0.02 0.02) = 0.059% HA PRO 104 - HN MET 118 4.545% * 0.0574% (0.33 1.0 0.02 0.02) = 0.057% HA THR 95 - HN ASN 15 4.545% * 0.0431% (0.25 1.0 0.02 0.02) = 0.043% HA THR 95 - HN MET 118 4.545% * 0.0420% (0.24 1.0 0.02 0.02) = 0.042% HA ASN 57 - HN ASN 15 4.545% * 0.0385% (0.22 1.0 0.02 0.02) = 0.038% HA ASN 57 - HN MET 118 4.545% * 0.0375% (0.22 1.0 0.02 0.02) = 0.037% HA MET 118 - HN ASN 15 4.545% * 0.0266% (0.15 1.0 0.02 0.02) = 0.027% Peak 1199 (4.20, 8.06, 119.92 ppm): 12 chemical-shift based assignments, quality = 0.548, support = 0.527, residual support = 0.552: HA GLU- 12 - HN MET 118 8.333% * 30.2037% (0.44 0.75 0.65) = 30.204% kept HA GLU- 12 - HN ASN 15 8.333% * 29.1954% (0.45 0.71 1.19) = 29.195% kept HB3 SER 49 - HN MET 118 8.333% * 23.4235% (0.73 0.35 0.02) = 23.423% kept HA ASP- 82 - HN MET 118 8.333% * 10.1421% (0.87 0.13 0.02) = 10.142% kept HA ASP- 82 - HN ASN 15 8.333% * 1.6549% (0.90 0.02 0.02) = 1.655% kept HB3 SER 49 - HN ASN 15 8.333% * 1.3871% (0.75 0.02 0.02) = 1.387% kept HA VAL 65 - HN ASN 15 8.333% * 0.8982% (0.49 0.02 0.02) = 0.898% HA VAL 65 - HN MET 118 8.333% * 0.8757% (0.47 0.02 0.02) = 0.876% HA VAL 73 - HN ASN 15 8.333% * 0.7586% (0.41 0.02 0.02) = 0.759% HA VAL 73 - HN MET 118 8.333% * 0.7396% (0.40 0.02 0.02) = 0.740% HA GLU- 109 - HN ASN 15 8.333% * 0.3652% (0.20 0.02 0.02) = 0.365% HA GLU- 109 - HN MET 118 8.333% * 0.3560% (0.19 0.02 0.02) = 0.356% Reference assignment not found: HA LYS+ 117 - HN MET 118 Peak 1200 (2.00, 8.06, 119.92 ppm): 34 chemical-shift based assignments, quality = 0.764, support = 1.6, residual support = 3.5: * O HB3 MET 118 - HN MET 118 2.941% * 90.1284% (0.78 10.0 1.68 3.77) = 90.128% kept HB2 HIS+ 14 - HN ASN 15 2.941% * 6.5784% (0.80 1.0 1.20 1.56) = 6.578% kept HB2 HIS+ 14 - HN MET 118 2.941% * 1.1173% (0.78 1.0 0.21 0.02) = 1.117% kept HB VAL 73 - HN MET 118 2.941% * 0.4634% (0.22 1.0 0.31 0.02) = 0.463% HB3 MET 118 - HN ASN 15 2.941% * 0.1099% (0.80 1.0 0.02 0.02) = 0.110% HB2 LYS+ 108 - HN ASN 15 2.941% * 0.1049% (0.76 1.0 0.02 0.02) = 0.105% HB2 LYS+ 108 - HN MET 118 2.941% * 0.1022% (0.74 1.0 0.02 0.02) = 0.102% HG3 PRO 112 - HN ASN 15 2.941% * 0.0996% (0.73 1.0 0.02 0.02) = 0.100% HG3 PRO 112 - HN MET 118 2.941% * 0.0971% (0.71 1.0 0.02 0.02) = 0.097% HB2 GLU- 18 - HN ASN 15 2.941% * 0.0942% (0.69 1.0 0.02 0.02) = 0.094% HB2 GLU- 18 - HN MET 118 2.941% * 0.0919% (0.67 1.0 0.02 0.02) = 0.092% HB2 PRO 86 - HN ASN 15 2.941% * 0.0777% (0.57 1.0 0.02 0.02) = 0.078% HB2 PRO 86 - HN MET 118 2.941% * 0.0757% (0.55 1.0 0.02 0.02) = 0.076% HG2 PRO 112 - HN ASN 15 2.941% * 0.0728% (0.53 1.0 0.02 0.02) = 0.073% HG2 PRO 112 - HN MET 118 2.941% * 0.0710% (0.52 1.0 0.02 0.02) = 0.071% HG2 PRO 116 - HN ASN 15 2.941% * 0.0615% (0.45 1.0 0.02 0.02) = 0.062% HG2 PRO 116 - HN MET 118 2.941% * 0.0600% (0.44 1.0 0.02 0.02) = 0.060% HB3 GLU- 107 - HN ASN 15 2.941% * 0.0564% (0.41 1.0 0.02 0.02) = 0.056% HB3 GLU- 107 - HN MET 118 2.941% * 0.0550% (0.40 1.0 0.02 0.02) = 0.055% HB3 GLU- 56 - HN ASN 15 2.941% * 0.0515% (0.37 1.0 0.02 0.02) = 0.051% HB3 GLU- 56 - HN MET 118 2.941% * 0.0502% (0.37 1.0 0.02 0.02) = 0.050% HG3 PRO 104 - HN ASN 15 2.941% * 0.0381% (0.28 1.0 0.02 0.02) = 0.038% HG3 PRO 104 - HN MET 118 2.941% * 0.0372% (0.27 1.0 0.02 0.02) = 0.037% HB3 PRO 31 - HN ASN 15 2.941% * 0.0342% (0.25 1.0 0.02 0.02) = 0.034% HB3 PRO 31 - HN MET 118 2.941% * 0.0334% (0.24 1.0 0.02 0.02) = 0.033% HB3 GLU- 75 - HN ASN 15 2.941% * 0.0321% (0.23 1.0 0.02 0.02) = 0.032% HB3 GLU- 75 - HN MET 118 2.941% * 0.0313% (0.23 1.0 0.02 0.02) = 0.031% HB VAL 73 - HN ASN 15 2.941% * 0.0305% (0.22 1.0 0.02 0.02) = 0.031% HB3 GLU- 10 - HN ASN 15 2.941% * 0.0272% (0.20 1.0 0.02 0.02) = 0.027% HB3 GLU- 64 - HN ASN 15 2.941% * 0.0272% (0.20 1.0 0.02 0.02) = 0.027% HB3 GLU- 10 - HN MET 118 2.941% * 0.0265% (0.19 1.0 0.02 0.02) = 0.026% HB3 GLU- 64 - HN MET 118 2.941% * 0.0265% (0.19 1.0 0.02 0.02) = 0.026% HB3 GLU- 54 - HN ASN 15 2.941% * 0.0186% (0.14 1.0 0.02 0.02) = 0.019% HB3 GLU- 54 - HN MET 118 2.941% * 0.0181% (0.13 1.0 0.02 0.02) = 0.018% Peak 1201 (1.81, 8.06, 119.92 ppm): 20 chemical-shift based assignments, quality = 0.663, support = 0.81, residual support = 0.532: HD3 LYS+ 117 - HN MET 118 5.000% * 63.1043% (0.67 1.22 0.83) = 63.104% kept HB3 LYS+ 63 - HN MET 118 5.000% * 11.6596% (0.74 0.20 0.02) = 11.660% kept HD3 LYS+ 72 - HN MET 118 5.000% * 5.1169% (0.84 0.08 0.02) = 5.117% kept HG3 LYS+ 63 - HN MET 118 5.000% * 3.5640% (0.33 0.14 0.02) = 3.564% kept HG2 PRO 31 - HN MET 118 5.000% * 3.0229% (0.37 0.11 0.02) = 3.023% kept HB2 GLU- 109 - HN ASN 15 5.000% * 1.4582% (0.94 0.02 0.02) = 1.458% kept HB2 GLU- 109 - HN MET 118 5.000% * 1.4217% (0.92 0.02 0.02) = 1.422% kept HD3 LYS+ 72 - HN ASN 15 5.000% * 1.3371% (0.87 0.02 0.02) = 1.337% kept HB3 LYS+ 108 - HN ASN 15 5.000% * 1.1780% (0.76 0.02 0.02) = 1.178% kept HB3 LYS+ 63 - HN ASN 15 5.000% * 1.1780% (0.76 0.02 0.02) = 1.178% kept HB3 LYS+ 108 - HN MET 118 5.000% * 1.1485% (0.74 0.02 0.02) = 1.149% kept HG3 LYS+ 108 - HN ASN 15 5.000% * 1.1194% (0.73 0.02 0.02) = 1.119% kept HG3 LYS+ 108 - HN MET 118 5.000% * 1.0913% (0.71 0.02 0.02) = 1.091% kept HD3 LYS+ 117 - HN ASN 15 5.000% * 1.0589% (0.69 0.02 0.02) = 1.059% kept HG2 PRO 31 - HN ASN 15 5.000% * 0.5785% (0.37 0.02 0.02) = 0.579% HG3 LYS+ 63 - HN ASN 15 5.000% * 0.5258% (0.34 0.02 0.02) = 0.526% HB2 PRO 59 - HN ASN 15 5.000% * 0.3844% (0.25 0.02 0.02) = 0.384% HB2 PRO 59 - HN MET 118 5.000% * 0.3747% (0.24 0.02 0.02) = 0.375% HG3 ARG+ 53 - HN ASN 15 5.000% * 0.3432% (0.22 0.02 0.02) = 0.343% HG3 ARG+ 53 - HN MET 118 5.000% * 0.3346% (0.22 0.02 0.02) = 0.335% Reference assignment not found: HB3 LYS+ 117 - HN MET 118 Peak 1202 (2.10, 8.06, 119.92 ppm): 30 chemical-shift based assignments, quality = 0.931, support = 1.63, residual support = 3.57: * O HB2 MET 118 - HN MET 118 3.333% * 94.3374% (0.97 10.0 1.68 3.77) = 94.337% kept HG2 GLN 16 - HN ASN 15 3.333% * 3.6827% (0.57 1.0 1.12 0.30) = 3.683% kept HB3 GLU- 75 - HN ASN 15 3.333% * 0.1160% (1.00 1.0 0.02 0.02) = 0.116% HB2 MET 118 - HN ASN 15 3.333% * 0.1150% (0.99 1.0 0.02 0.02) = 0.115% HB VAL 65 - HN ASN 15 3.333% * 0.1137% (0.98 1.0 0.02 0.02) = 0.114% HB3 GLU- 75 - HN MET 118 3.333% * 0.1131% (0.97 1.0 0.02 0.02) = 0.113% HB VAL 65 - HN MET 118 3.333% * 0.1109% (0.95 1.0 0.02 0.02) = 0.111% HB VAL 125 - HN ASN 15 3.333% * 0.1071% (0.92 1.0 0.02 0.02) = 0.107% HB VAL 125 - HN MET 118 3.333% * 0.1044% (0.90 1.0 0.02 0.02) = 0.104% HB2 LYS+ 110 - HN ASN 15 3.333% * 0.1006% (0.87 1.0 0.02 0.02) = 0.101% HB2 LYS+ 110 - HN MET 118 3.333% * 0.0981% (0.84 1.0 0.02 0.02) = 0.098% HG2 PRO 112 - HN ASN 15 3.333% * 0.0953% (0.82 1.0 0.02 0.02) = 0.095% HD3 LYS+ 110 - HN ASN 15 3.333% * 0.0929% (0.80 1.0 0.02 0.02) = 0.093% HG2 PRO 112 - HN MET 118 3.333% * 0.0929% (0.80 1.0 0.02 0.02) = 0.093% HD3 LYS+ 110 - HN MET 118 3.333% * 0.0906% (0.78 1.0 0.02 0.02) = 0.091% HB3 LEU 43 - HN ASN 15 3.333% * 0.0751% (0.65 1.0 0.02 0.02) = 0.075% HB3 LEU 43 - HN MET 118 3.333% * 0.0732% (0.63 1.0 0.02 0.02) = 0.073% HG2 GLN 16 - HN MET 118 3.333% * 0.0640% (0.55 1.0 0.02 0.02) = 0.064% HB VAL 87 - HN ASN 15 3.333% * 0.0477% (0.41 1.0 0.02 1.41) = 0.048% HB3 LYS+ 120 - HN ASN 15 3.333% * 0.0477% (0.41 1.0 0.02 0.02) = 0.048% HB VAL 87 - HN MET 118 3.333% * 0.0465% (0.40 1.0 0.02 0.02) = 0.047% HB3 LYS+ 120 - HN MET 118 3.333% * 0.0465% (0.40 1.0 0.02 0.02) = 0.047% HB2 GLU- 56 - HN ASN 15 3.333% * 0.0435% (0.37 1.0 0.02 0.02) = 0.044% HB2 GLU- 56 - HN MET 118 3.333% * 0.0425% (0.37 1.0 0.02 0.02) = 0.042% HB ILE 101 - HN ASN 15 3.333% * 0.0289% (0.25 1.0 0.02 0.02) = 0.029% HB ILE 101 - HN MET 118 3.333% * 0.0282% (0.24 1.0 0.02 0.02) = 0.028% HB VAL 105 - HN ASN 15 3.333% * 0.0230% (0.20 1.0 0.02 0.02) = 0.023% HB VAL 105 - HN MET 118 3.333% * 0.0224% (0.19 1.0 0.02 0.02) = 0.022% HB VAL 62 - HN ASN 15 3.333% * 0.0203% (0.17 1.0 0.02 0.02) = 0.020% HB VAL 62 - HN MET 118 3.333% * 0.0198% (0.17 1.0 0.02 0.02) = 0.020% Peak 1203 (8.26, 8.26, 120.16 ppm): 2 diagonal assignments: HN GLU- 12 - HN GLU- 12 (0.45) kept HN ASN 89 - HN ASN 89 (0.23) kept Peak 1204 (4.78, 8.26, 120.16 ppm): 4 chemical-shift based assignments, quality = 0.573, support = 0.91, residual support = 0.69: HA ASN 15 - HN GLU- 12 25.000% * 44.0458% (0.69 1.00 1.19) = 44.046% kept HA ASN 15 - HN ASN 89 25.000% * 36.7042% (0.59 0.97 0.44) = 36.704% kept HA LEU 23 - HN GLU- 12 25.000% * 12.6028% (0.29 0.68 0.02) = 12.603% kept HA LEU 23 - HN ASN 89 25.000% * 6.6473% (0.25 0.42 0.02) = 6.647% kept Peak 1207 (8.49, 8.49, 124.44 ppm): 3 diagonal assignments: HN GLU- 10 - HN GLU- 10 (0.84) kept * HN GLU- 18 - HN GLU- 18 (0.67) kept HN GLU- 107 - HN GLU- 107 (0.04) kept Peak 1208 (4.82, 8.49, 124.44 ppm): 9 chemical-shift based assignments, quality = 0.787, support = 5.76, residual support = 52.0: * O HA GLU- 18 - HN GLU- 18 11.111% * 96.5459% (0.80 10.0 5.95 53.83) = 96.546% kept HA LEU 23 - HN GLU- 10 11.111% * 2.2784% (0.63 1.0 0.60 0.02) = 2.278% kept HA LEU 23 - HN GLU- 18 11.111% * 0.8099% (0.58 1.0 0.23 0.02) = 0.810% HB THR 39 - HN GLU- 10 11.111% * 0.1051% (0.87 1.0 0.02 0.02) = 0.105% HA GLU- 18 - HN GLU- 10 11.111% * 0.1049% (0.87 1.0 0.02 0.02) = 0.105% HB THR 39 - HN GLU- 18 11.111% * 0.0968% (0.80 1.0 0.02 0.02) = 0.097% HB THR 39 - HN GLU- 107 11.111% * 0.0217% (0.18 1.0 0.02 0.02) = 0.022% HA GLU- 18 - HN GLU- 107 11.111% * 0.0216% (0.18 1.0 0.02 0.02) = 0.022% HA LEU 23 - HN GLU- 107 11.111% * 0.0157% (0.13 1.0 0.02 0.02) = 0.016% Peak 1209 (4.38, 8.93, 124.84 ppm): 24 chemical-shift based assignments, quality = 0.311, support = 3.13, residual support = 15.9: * O HA THR 95 - HN THR 96 4.167% * 90.3757% (0.30 10.0 3.43 17.55) = 90.376% kept HA LYS+ 60 - HN THR 96 4.167% * 4.6766% (0.79 1.0 0.40 0.02) = 4.677% kept HA SER 88 - HN LEU 17 4.167% * 1.1246% (0.10 1.0 0.76 0.32) = 1.125% kept HA SER 27 - HN LEU 17 4.167% * 1.0439% (0.12 1.0 0.56 0.14) = 1.044% kept HB THR 61 - HN THR 96 4.167% * 0.9211% (0.64 1.0 0.10 0.02) = 0.921% HA ALA 37 - HN THR 96 4.167% * 0.2408% (0.80 1.0 0.02 0.02) = 0.241% HA SER 27 - HN THR 96 4.167% * 0.2403% (0.80 1.0 0.02 0.02) = 0.240% HA TRP 51 - HN THR 96 4.167% * 0.2324% (0.77 1.0 0.02 0.02) = 0.232% HA ALA 91 - HN THR 96 4.167% * 0.2160% (0.72 1.0 0.02 0.02) = 0.216% HA SER 88 - HN THR 96 4.167% * 0.1928% (0.64 1.0 0.02 0.02) = 0.193% HA2 GLY 26 - HN THR 96 4.167% * 0.1654% (0.55 1.0 0.02 0.02) = 0.165% HA2 GLY 26 - HN LEU 17 4.167% * 0.1503% (0.08 1.0 0.12 0.02) = 0.150% HA ASN 57 - HN THR 96 4.167% * 0.0990% (0.33 1.0 0.02 0.02) = 0.099% HA PRO 104 - HN THR 96 4.167% * 0.0670% (0.22 1.0 0.02 0.02) = 0.067% HA PRO 112 - HN THR 96 4.167% * 0.0372% (0.12 1.0 0.02 0.02) = 0.037% HA ALA 37 - HN LEU 17 4.167% * 0.0370% (0.12 1.0 0.02 0.02) = 0.037% HA LYS+ 60 - HN LEU 17 4.167% * 0.0363% (0.12 1.0 0.02 0.02) = 0.036% HA TRP 51 - HN LEU 17 4.167% * 0.0357% (0.12 1.0 0.02 0.16) = 0.036% HA ALA 91 - HN LEU 17 4.167% * 0.0332% (0.11 1.0 0.02 0.47) = 0.033% HB THR 61 - HN LEU 17 4.167% * 0.0297% (0.10 1.0 0.02 0.02) = 0.030% HA ASN 57 - HN LEU 17 4.167% * 0.0152% (0.05 1.0 0.02 0.02) = 0.015% HA THR 95 - HN LEU 17 4.167% * 0.0139% (0.05 1.0 0.02 1.09) = 0.014% HA PRO 104 - HN LEU 17 4.167% * 0.0103% (0.03 1.0 0.02 0.02) = 0.010% HA PRO 112 - HN LEU 17 4.167% * 0.0057% (0.02 1.0 0.02 0.02) = 0.006% Peak 1210 (8.76, 8.96, 124.78 ppm): 18 chemical-shift based assignments, quality = 0.526, support = 2.59, residual support = 21.5: * T HN PHE 34 - HN ILE 19 5.556% * 49.8526% (0.75 10.00 2.08 22.00) = 49.853% kept T HN THR 95 - HN ILE 19 5.556% * 20.5406% (0.31 10.00 3.03 34.03) = 20.541% kept T HN THR 95 - HN THR 96 5.556% * 20.0412% (0.30 10.00 4.31 17.55) = 20.041% kept T HN THR 95 - HN LEU 17 5.556% * 5.0174% (0.18 10.00 0.84 1.09) = 5.017% kept HN VAL 62 - HN ILE 19 5.556% * 2.3311% (0.73 1.00 0.97 0.12) = 2.331% kept HN VAL 62 - HN THR 96 5.556% * 0.8523% (0.71 1.00 0.36 0.02) = 0.852% T HN PHE 34 - HN THR 96 5.556% * 0.4864% (0.73 10.00 0.02 0.02) = 0.486% HN SER 69 - HN ILE 19 5.556% * 0.4228% (0.19 1.00 0.68 0.13) = 0.423% T HN PHE 34 - HN LEU 17 5.556% * 0.2893% (0.44 10.00 0.02 0.02) = 0.289% HN ILE 101 - HN THR 96 5.556% * 0.0651% (0.20 1.00 0.10 0.02) = 0.065% HN VAL 62 - HN LEU 17 5.556% * 0.0280% (0.42 1.00 0.02 0.02) = 0.028% HN ILE 101 - HN ILE 19 5.556% * 0.0139% (0.21 1.00 0.02 0.02) = 0.014% HN GLU- 56 - HN ILE 19 5.556% * 0.0125% (0.19 1.00 0.02 0.02) = 0.012% HN SER 69 - HN THR 96 5.556% * 0.0122% (0.18 1.00 0.02 0.02) = 0.012% HN GLU- 56 - HN THR 96 5.556% * 0.0122% (0.18 1.00 0.02 0.02) = 0.012% HN ILE 101 - HN LEU 17 5.556% * 0.0081% (0.12 1.00 0.02 0.02) = 0.008% HN GLU- 56 - HN LEU 17 5.556% * 0.0072% (0.11 1.00 0.02 0.02) = 0.007% HN SER 69 - HN LEU 17 5.556% * 0.0072% (0.11 1.00 0.02 0.02) = 0.007% Peak 1213 (1.70, 8.96, 124.78 ppm): 15 chemical-shift based assignments, quality = 0.424, support = 3.91, residual support = 54.8: * HG13 ILE 19 - HN ILE 19 6.667% * 51.5085% (0.49 5.46 96.68) = 51.509% kept HG13 ILE 19 - HN THR 96 6.667% * 21.2511% (0.48 2.31 5.73) = 21.251% kept HB2 GLN 16 - HN LEU 17 6.667% * 15.1691% (0.23 3.41 18.76) = 15.169% kept HG13 ILE 19 - HN LEU 17 6.667% * 6.5000% (0.28 1.19 13.76) = 6.500% kept HB2 GLN 16 - HN ILE 19 6.667% * 3.2660% (0.40 0.43 1.50) = 3.266% kept HB2 GLN 16 - HN THR 96 6.667% * 1.1690% (0.39 0.16 0.02) = 1.169% kept HG2 PRO 52 - HN ILE 19 6.667% * 0.2335% (0.60 0.02 0.02) = 0.233% HG2 PRO 52 - HN THR 96 6.667% * 0.2278% (0.59 0.02 0.02) = 0.228% HD3 LYS+ 55 - HN ILE 19 6.667% * 0.1534% (0.40 0.02 0.02) = 0.153% HD3 LYS+ 55 - HN THR 96 6.667% * 0.1497% (0.39 0.02 0.02) = 0.150% HG2 PRO 52 - HN LEU 17 6.667% * 0.1355% (0.35 0.02 2.64) = 0.135% HD3 LYS+ 55 - HN LEU 17 6.667% * 0.0890% (0.23 0.02 0.02) = 0.089% HB3 LYS+ 81 - HN ILE 19 6.667% * 0.0577% (0.15 0.02 0.02) = 0.058% HB3 LYS+ 81 - HN THR 96 6.667% * 0.0563% (0.15 0.02 0.02) = 0.056% HB3 LYS+ 81 - HN LEU 17 6.667% * 0.0335% (0.09 0.02 0.02) = 0.033% Peak 1215 (7.37, 6.64, 110.39 ppm): 1 chemical-shift based assignment, quality = 0.447, support = 1.46, residual support = 27.6: O T HE22 GLN 102 - HE21 GLN 102 100.000% *100.0000% (0.45 10.0 10.00 1.46 27.62) = 100.000% kept Peak 1216 (2.16, 6.81, 111.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1217 (2.17, 7.31, 111.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1218 (2.21, 7.37, 110.39 ppm): 14 chemical-shift based assignments, quality = 0.274, support = 1.62, residual support = 25.7: O HG3 GLN 102 - HE22 GLN 102 7.143% * 93.0863% (0.27 10.0 1.72 27.62) = 93.086% kept HG2 PRO 112 - HE22 GLN 102 7.143% * 3.1156% (0.45 1.0 0.35 0.02) = 3.116% kept HG3 GLU- 18 - HE22 GLN 102 7.143% * 1.5348% (0.33 1.0 0.24 0.77) = 1.535% kept HB3 GLU- 75 - HE22 GLN 102 7.143% * 1.2271% (0.06 1.0 0.98 0.55) = 1.227% kept HG3 MET 126 - HE22 GLN 102 7.143% * 0.1726% (0.43 1.0 0.02 0.02) = 0.173% HG3 MET 97 - HE22 GLN 102 7.143% * 0.1604% (0.40 1.0 0.02 0.02) = 0.160% HA1 GLY 58 - HE22 GLN 102 7.143% * 0.1604% (0.40 1.0 0.02 0.02) = 0.160% HB2 GLU- 50 - HE22 GLN 102 7.143% * 0.1432% (0.36 1.0 0.02 0.02) = 0.143% HG2 MET 126 - HE22 GLN 102 7.143% * 0.1228% (0.31 1.0 0.02 0.02) = 0.123% HG3 GLU- 109 - HE22 GLN 102 7.143% * 0.0870% (0.22 1.0 0.02 0.02) = 0.087% HB2 PRO 52 - HE22 GLN 102 7.143% * 0.0870% (0.22 1.0 0.02 0.02) = 0.087% HB VAL 99 - HE22 GLN 102 7.143% * 0.0398% (0.10 1.0 0.02 0.02) = 0.040% HB3 PRO 104 - HE22 GLN 102 7.143% * 0.0354% (0.09 1.0 0.02 0.02) = 0.035% HB3 GLU- 45 - HE22 GLN 102 7.143% * 0.0276% (0.07 1.0 0.02 0.02) = 0.028% Peak 1219 (2.07, 7.37, 110.39 ppm): 13 chemical-shift based assignments, quality = 0.42, support = 2.08, residual support = 14.4: HB ILE 101 - HE22 GLN 102 7.692% * 54.8361% (0.45 3.21 25.73) = 54.836% kept HB3 GLU- 75 - HE22 GLN 102 7.692% * 15.6952% (0.42 0.98 0.55) = 15.695% kept HG2 GLN 16 - HE22 GLN 102 7.692% * 11.5950% (0.40 0.75 1.71) = 11.595% kept HB VAL 62 - HE22 GLN 102 7.692% * 10.3903% (0.43 0.64 0.02) = 10.390% kept HG2 PRO 112 - HE22 GLN 102 7.692% * 4.5639% (0.34 0.35 0.02) = 4.564% kept HD3 LYS+ 110 - HE22 GLN 102 7.692% * 1.0780% (0.31 0.09 0.02) = 1.078% kept HB2 LYS+ 110 - HE22 GLN 102 7.692% * 0.9519% (0.27 0.09 0.02) = 0.952% HB3 LYS+ 120 - HE22 GLN 102 7.692% * 0.3379% (0.44 0.02 0.02) = 0.338% HB VAL 125 - HE22 GLN 102 7.692% * 0.1814% (0.24 0.02 0.02) = 0.181% HB2 MET 118 - HE22 GLN 102 7.692% * 0.1294% (0.17 0.02 0.02) = 0.129% HB2 GLU- 45 - HE22 GLN 102 7.692% * 0.0959% (0.13 0.02 0.02) = 0.096% HB VAL 65 - HE22 GLN 102 7.692% * 0.0768% (0.10 0.02 0.64) = 0.077% HG3 PRO 86 - HE22 GLN 102 7.692% * 0.0682% (0.09 0.02 1.16) = 0.068% Peak 1220 (2.21, 6.64, 110.39 ppm): 14 chemical-shift based assignments, quality = 0.274, support = 1.63, residual support = 25.7: O HG3 GLN 102 - HE21 GLN 102 7.143% * 92.9358% (0.27 10.0 1.73 27.62) = 92.936% kept HG2 PRO 112 - HE21 GLN 102 7.143% * 3.3142% (0.45 1.0 0.37 0.02) = 3.314% kept HG3 GLU- 18 - HE21 GLN 102 7.143% * 1.5231% (0.33 1.0 0.24 0.77) = 1.523% kept HB3 GLU- 75 - HE21 GLN 102 7.143% * 1.1985% (0.06 1.0 0.96 0.55) = 1.199% kept HG3 MET 126 - HE21 GLN 102 7.143% * 0.1713% (0.43 1.0 0.02 0.02) = 0.171% HG3 MET 97 - HE21 GLN 102 7.143% * 0.1591% (0.40 1.0 0.02 0.02) = 0.159% HA1 GLY 58 - HE21 GLN 102 7.143% * 0.1591% (0.40 1.0 0.02 0.02) = 0.159% HB2 GLU- 50 - HE21 GLN 102 7.143% * 0.1421% (0.36 1.0 0.02 0.02) = 0.142% HG2 MET 126 - HE21 GLN 102 7.143% * 0.1219% (0.31 1.0 0.02 0.02) = 0.122% HG3 GLU- 109 - HE21 GLN 102 7.143% * 0.0864% (0.22 1.0 0.02 0.02) = 0.086% HB2 PRO 52 - HE21 GLN 102 7.143% * 0.0864% (0.22 1.0 0.02 0.02) = 0.086% HB VAL 99 - HE21 GLN 102 7.143% * 0.0395% (0.10 1.0 0.02 0.02) = 0.040% HB3 PRO 104 - HE21 GLN 102 7.143% * 0.0351% (0.09 1.0 0.02 0.02) = 0.035% HB3 GLU- 45 - HE21 GLN 102 7.143% * 0.0274% (0.07 1.0 0.02 0.02) = 0.027% Peak 1221 (2.07, 6.64, 110.39 ppm): 13 chemical-shift based assignments, quality = 0.415, support = 2.01, residual support = 14.0: HB ILE 101 - HE21 GLN 102 7.692% * 53.2680% (0.44 3.16 25.73) = 53.268% kept HB3 GLU- 75 - HE21 GLN 102 7.692% * 15.2335% (0.42 0.96 0.55) = 15.233% kept HG2 GLN 16 - HE21 GLN 102 7.692% * 11.4347% (0.40 0.75 1.71) = 11.435% kept HB VAL 62 - HE21 GLN 102 7.692% * 10.8398% (0.42 0.67 0.02) = 10.840% kept HG2 PRO 112 - HE21 GLN 102 7.692% * 4.8245% (0.34 0.37 0.02) = 4.825% kept HD3 LYS+ 110 - HE21 GLN 102 7.692% * 1.2666% (0.31 0.11 0.02) = 1.267% kept HG3 PRO 86 - HE21 GLN 102 7.692% * 1.2045% (0.09 0.36 1.16) = 1.205% kept HB2 LYS+ 110 - HE21 GLN 102 7.692% * 1.1184% (0.27 0.11 0.02) = 1.118% kept HB3 LYS+ 120 - HE21 GLN 102 7.692% * 0.3333% (0.44 0.02 0.02) = 0.333% HB VAL 125 - HE21 GLN 102 7.692% * 0.1789% (0.24 0.02 0.02) = 0.179% HB2 MET 118 - HE21 GLN 102 7.692% * 0.1276% (0.17 0.02 0.02) = 0.128% HB2 GLU- 45 - HE21 GLN 102 7.692% * 0.0945% (0.12 0.02 0.02) = 0.095% HB VAL 65 - HE21 GLN 102 7.692% * 0.0757% (0.10 0.02 0.64) = 0.076% Peak 1222 (1.11, 6.64, 110.39 ppm): 4 chemical-shift based assignments, quality = 0.345, support = 0.694, residual support = 0.718: QG2 THR 61 - HE21 GLN 102 25.000% * 54.8397% (0.43 0.78 0.64) = 54.840% kept HG3 LYS+ 32 - HE21 GLN 102 25.000% * 26.1597% (0.22 0.74 1.39) = 26.160% kept HD3 LYS+ 111 - HE21 GLN 102 25.000% * 17.9993% (0.27 0.41 0.02) = 17.999% kept QG2 THR 79 - HE21 GLN 102 25.000% * 1.0014% (0.31 0.02 0.02) = 1.001% kept Peak 1223 (1.12, 7.37, 110.39 ppm): 5 chemical-shift based assignments, quality = 0.35, support = 1.22, residual support = 0.971: HG3 LYS+ 32 - HE22 GLN 102 20.000% * 41.3398% (0.36 1.68 1.39) = 41.340% kept QG2 THR 61 - HE22 GLN 102 20.000% * 28.7697% (0.43 0.97 0.64) = 28.770% kept HD3 LYS+ 111 - HE22 GLN 102 20.000% * 13.3387% (0.40 0.49 0.02) = 13.339% kept QB ALA 33 - HE22 GLN 102 20.000% * 11.7739% (0.13 1.38 1.77) = 11.774% kept QG2 THR 79 - HE22 GLN 102 20.000% * 4.7779% (0.17 0.42 0.02) = 4.778% kept Peak 1224 (7.05, 7.63, 110.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1225 (7.05, 7.05, 110.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1226 (7.63, 7.06, 110.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1227 (0.92, 7.05, 110.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1228 (0.92, 7.63, 110.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1229 (0.01, 8.96, 124.78 ppm): 3 chemical-shift based assignments, quality = 0.377, support = 5.36, residual support = 49.3: * QG2 ILE 19 - HN ILE 19 33.333% * 47.0692% (0.40 5.86 96.68) = 47.069% kept QG2 ILE 19 - HN THR 96 33.333% * 43.4284% (0.39 5.54 5.73) = 43.428% kept QG2 ILE 19 - HN LEU 17 33.333% * 9.5025% (0.23 2.04 13.76) = 9.502% kept Peak 1231 (7.64, 6.87, 112.96 ppm): 4 chemical-shift based assignments, quality = 0.14, support = 0.158, residual support = 0.341: T HD21 ASN 89 - HD22 ASN 15 25.000% * 59.4764% (0.20 10.00 0.02 0.44) = 59.476% kept HN ASP- 25 - HD22 ASN 15 25.000% * 24.4607% (0.03 1.00 0.53 0.32) = 24.461% kept HD21 ASN 57 - HD22 ASN 15 25.000% * 14.8832% (0.10 1.00 0.10 0.02) = 14.883% kept HN TYR 83 - HD22 ASN 15 25.000% * 1.1796% (0.04 1.00 0.02 0.02) = 1.180% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 1232 (2.77, 6.87, 112.96 ppm): 1 chemical-shift based assignment, quality = 0.135, support = 0.373, residual support = 0.95: HB2 ASN 119 - HD22 ASN 15 100.000% *100.0000% (0.13 0.37 0.95) = 100.000% kept Not enough quality. Peak unassigned. Peak 1233 (0.83, 7.64, 112.96 ppm): 8 chemical-shift based assignments, quality = 0.655, support = 0.409, residual support = 1.79: QG2 VAL 13 - HD21 ASN 89 12.500% * 44.6478% (0.76 0.41 0.10) = 44.648% kept * QD2 LEU 90 - HD21 ASN 89 12.500% * 39.4674% (0.49 0.56 4.40) = 39.467% kept QD2 LEU 67 - HD21 ASN 89 12.500% * 3.2454% (0.25 0.09 0.13) = 3.245% kept QD1 ILE 29 - HD21 ASN 89 12.500% * 2.8542% (0.99 0.02 0.02) = 2.854% kept QG1 VAL 13 - HD21 ASN 89 12.500% * 2.8542% (0.99 0.02 0.10) = 2.854% kept HG2 LYS+ 117 - HD21 ASN 89 12.500% * 2.7791% (0.97 0.02 0.02) = 2.779% kept QG1 VAL 94 - HD21 ASN 89 12.500% * 2.4053% (0.84 0.02 0.02) = 2.405% kept QD2 LEU 17 - HD21 ASN 89 12.500% * 1.7466% (0.61 0.02 0.02) = 1.747% kept Peak 1234 (0.83, 6.87, 112.96 ppm): 8 chemical-shift based assignments, quality = 0.141, support = 0.414, residual support = 0.341: QD1 ILE 29 - HD22 ASN 15 12.500% * 39.0616% (0.18 0.47 0.59) = 39.062% kept QD2 LEU 90 - HD22 ASN 15 12.500% * 24.3639% (0.09 0.60 0.22) = 24.364% kept QG1 VAL 94 - HD22 ASN 15 12.500% * 17.4158% (0.16 0.25 0.02) = 17.416% kept QD2 LEU 67 - HD22 ASN 15 12.500% * 8.3355% (0.05 0.40 0.14) = 8.336% kept QG2 VAL 13 - HD22 ASN 15 12.500% * 6.5379% (0.14 0.10 0.52) = 6.538% kept QG1 VAL 13 - HD22 ASN 15 12.500% * 1.6574% (0.18 0.02 0.52) = 1.657% kept HG2 LYS+ 117 - HD22 ASN 15 12.500% * 1.6137% (0.18 0.02 0.02) = 1.614% kept QD2 LEU 17 - HD22 ASN 15 12.500% * 1.0142% (0.11 0.02 0.02) = 1.014% kept Reference assignment not found: QD2 LEU 90 - HD22 ASN 89 Not enough quality. Peak unassigned. Peak 1235 (1.58, 8.60, 125.48 ppm): 12 chemical-shift based assignments, quality = 0.907, support = 5.36, residual support = 41.4: * HB ILE 19 - HN LYS+ 20 8.333% * 91.1847% (0.92 5.85 45.32) = 91.185% kept HG LEU 17 - HN LYS+ 20 8.333% * 5.9353% (0.90 0.39 1.09) = 5.935% kept HD3 LYS+ 60 - HN LYS+ 20 8.333% * 1.5931% (0.83 0.11 0.15) = 1.593% kept HD3 LYS+ 81 - HN LYS+ 20 8.333% * 0.2581% (0.76 0.02 0.02) = 0.258% HB3 LYS+ 32 - HN LYS+ 20 8.333% * 0.2453% (0.73 0.02 0.16) = 0.245% QB ALA 42 - HN LYS+ 20 8.333% * 0.1644% (0.49 0.02 0.02) = 0.164% HG12 ILE 29 - HN LYS+ 20 8.333% * 0.1644% (0.49 0.02 0.14) = 0.164% HB3 LEU 90 - HN LYS+ 20 8.333% * 0.1389% (0.41 0.02 0.02) = 0.139% HG13 ILE 29 - HN LYS+ 20 8.333% * 0.1042% (0.31 0.02 0.14) = 0.104% HD3 LYS+ 32 - HN LYS+ 20 8.333% * 0.0842% (0.25 0.02 0.16) = 0.084% QG2 THR 24 - HN LYS+ 20 8.333% * 0.0752% (0.22 0.02 0.02) = 0.075% HB3 PRO 52 - HN LYS+ 20 8.333% * 0.0521% (0.15 0.02 0.02) = 0.052% Peak 1236 (7.98, 7.90, 118.11 ppm): 3 chemical-shift based assignments, quality = 0.89, support = 5.18, residual support = 27.7: * T HN LEU 43 - HN LYS+ 44 33.333% * 99.3856% (0.90 10.00 5.22 27.85) = 99.386% kept HN MET 126 - HN LYS+ 44 33.333% * 0.5946% (0.41 1.00 0.26 0.02) = 0.595% HN LYS+ 72 - HN LYS+ 44 33.333% * 0.0198% (0.18 1.00 0.02 0.02) = 0.020% Peak 1237 (4.15, 8.21, 118.42 ppm): 8 chemical-shift based assignments, quality = 0.888, support = 0.931, residual support = 2.32: HB3 SER 49 - HN GLU- 45 12.500% * 39.9335% (0.99 1.33 4.72) = 39.933% kept HA VAL 87 - HN GLU- 45 12.500% * 22.9398% (0.86 0.88 1.57) = 22.940% kept HB2 SER 88 - HN GLU- 45 12.500% * 20.3298% (0.99 0.68 0.21) = 20.330% kept HA VAL 105 - HN GLU- 45 12.500% * 8.0490% (0.48 0.55 0.32) = 8.049% kept HA2 GLY 71 - HN GLU- 45 12.500% * 4.0183% (0.86 0.15 0.02) = 4.018% kept HB THR 106 - HN GLU- 45 12.500% * 3.9306% (0.48 0.27 0.02) = 3.931% kept HA LYS+ 110 - HN GLU- 45 12.500% * 0.4822% (0.80 0.02 0.11) = 0.482% HA ARG+ 53 - HN GLU- 45 12.500% * 0.3169% (0.52 0.02 0.02) = 0.317% Peak 1238 (3.78, 8.16, 114.88 ppm): 2 chemical-shift based assignments, quality = 0.197, support = 2.85, residual support = 5.26: O HB3 SER 41 - HN SER 41 50.000% * 99.8279% (0.20 10.0 2.86 5.27) = 99.828% kept HD3 PRO 112 - HN SER 41 50.000% * 0.1721% (0.34 1.0 0.02 0.02) = 0.172% Peak 1239 (7.32, 7.30, 114.60 ppm): 2 diagonal assignments: HN ILE 48 - HN ILE 48 (0.28) kept HZ2 TRP 51 - HZ2 TRP 51 (0.08) kept Reference assignment not found: HN VAL 47 - HN ILE 48 Peak 1240 (7.27, 7.32, 122.31 ppm): 1 chemical-shift based assignment, quality = 0.277, support = 6.0, residual support = 34.4: * T HN ILE 48 - HN VAL 47 100.000% *100.0000% (0.28 10.00 6.00 34.45) = 100.000% kept Peak 1241 (3.08, 8.34, 118.74 ppm): 3 chemical-shift based assignments, quality = 0.324, support = 2.59, residual support = 10.5: HB3 TRP 51 - HN GLU- 50 33.333% * 77.8435% (0.20 3.26 13.47) = 77.844% kept * HA VAL 47 - HN GLU- 50 33.333% * 21.6191% (0.79 0.22 0.02) = 21.619% kept HB3 ASP- 25 - HN GLU- 50 33.333% * 0.5374% (0.22 0.02 0.02) = 0.537% Peak 1242 (8.23, 8.34, 118.74 ppm): 11 chemical-shift based assignments, quality = 0.983, support = 4.61, residual support = 17.1: * T HN SER 49 - HN GLU- 50 9.091% * 95.9289% (0.99 10.00 4.78 17.78) = 95.929% kept HN GLY 58 - HN GLU- 50 9.091% * 3.5636% (0.95 1.00 0.77 0.02) = 3.564% kept HN LYS+ 81 - HN GLU- 50 9.091% * 0.0860% (0.89 1.00 0.02 0.02) = 0.086% HN LEU 67 - HN GLU- 50 9.091% * 0.0860% (0.89 1.00 0.02 0.02) = 0.086% HN GLU- 12 - HN GLU- 50 9.091% * 0.0768% (0.79 1.00 0.02 0.02) = 0.077% HN VAL 94 - HN GLU- 50 9.091% * 0.0621% (0.64 1.00 0.02 0.02) = 0.062% HN VAL 105 - HN GLU- 50 9.091% * 0.0582% (0.60 1.00 0.02 0.02) = 0.058% HN ALA 11 - HN GLU- 50 9.091% * 0.0430% (0.44 1.00 0.02 0.02) = 0.043% HN GLU- 45 - HN GLU- 50 9.091% * 0.0360% (0.37 1.00 0.02 0.02) = 0.036% HN THR 106 - HN GLU- 50 9.091% * 0.0327% (0.34 1.00 0.02 0.02) = 0.033% HN ASP- 115 - HN GLU- 50 9.091% * 0.0267% (0.27 1.00 0.02 0.02) = 0.027% Peak 1243 (8.33, 8.23, 114.86 ppm): 7 chemical-shift based assignments, quality = 0.932, support = 4.63, residual support = 17.2: * T HN GLU- 50 - HN SER 49 14.286% * 96.6702% (0.94 10.00 4.78 17.78) = 96.670% kept HN GLY 114 - HN SER 49 14.286% * 2.4357% (0.89 1.00 0.53 0.52) = 2.436% kept HN LYS+ 108 - HN SER 49 14.286% * 0.5021% (0.17 1.00 0.56 0.02) = 0.502% HN GLU- 109 - HN SER 49 14.286% * 0.2260% (0.45 1.00 0.10 0.02) = 0.226% HN ASN 76 - HN SER 49 14.286% * 0.0818% (0.80 1.00 0.02 0.02) = 0.082% HN VAL 99 - HN SER 49 14.286% * 0.0458% (0.45 1.00 0.02 0.02) = 0.046% HN ALA 103 - HN SER 49 14.286% * 0.0384% (0.37 1.00 0.02 0.02) = 0.038% Peak 1244 (8.27, 8.45, 129.16 ppm): 7 chemical-shift based assignments, quality = 0.48, support = 0.561, residual support = 6.34: * HN LEU 67 - HN LEU 74 14.286% * 36.6866% (0.20 1.16 17.19) = 36.687% kept HN ASN 89 - HN LEU 74 14.286% * 34.5003% (0.76 0.28 0.02) = 34.500% kept HN THR 106 - HN LEU 74 14.286% * 12.2520% (0.73 0.11 0.02) = 12.252% kept HN LYS+ 81 - HN LEU 74 14.286% * 6.5065% (0.20 0.21 0.30) = 6.507% kept HN GLU- 12 - HN LEU 74 14.286% * 6.3067% (0.28 0.14 0.02) = 6.307% kept HN ASP- 115 - HN LEU 74 14.286% * 2.5519% (0.80 0.02 0.02) = 2.552% kept HN ASP- 28 - HN LEU 74 14.286% * 1.1961% (0.37 0.02 0.02) = 1.196% kept Peak 1245 (4.98, 8.80, 119.98 ppm): 4 chemical-shift based assignments, quality = 0.624, support = 3.58, residual support = 16.9: * O HA SER 69 - HN SER 69 25.000% * 60.4757% (0.74 10.0 3.46 21.26) = 60.476% kept O HA ILE 68 - HN SER 69 25.000% * 37.0079% (0.45 10.0 3.98 10.87) = 37.008% kept HA PRO 31 - HN SER 69 25.000% * 1.7368% (0.51 1.0 0.83 0.02) = 1.737% kept HA MET 97 - HN SER 69 25.000% * 0.7796% (0.54 1.0 0.35 0.02) = 0.780% Peak 1246 (4.96, 9.49, 134.56 ppm): 5 chemical-shift based assignments, quality = 0.229, support = 2.32, residual support = 4.02: * O HA SER 69 - HN ALA 70 20.000% * 94.6797% (0.20 10.0 2.44 4.25) = 94.680% kept HA HIS+ 98 - HN ALA 70 20.000% * 4.4677% (0.92 1.0 0.20 0.02) = 4.468% kept HA MET 97 - HN ALA 70 20.000% * 0.3286% (0.69 1.0 0.02 0.02) = 0.329% HA ILE 101 - HN ALA 70 20.000% * 0.3095% (0.65 1.0 0.02 0.02) = 0.309% HA ALA 33 - HN ALA 70 20.000% * 0.2145% (0.45 1.0 0.02 0.02) = 0.214% Peak 1247 (4.17, 8.80, 119.98 ppm): 7 chemical-shift based assignments, quality = 0.644, support = 2.17, residual support = 1.01: * HA VAL 73 - HN SER 69 14.286% * 44.7206% (0.62 3.31 1.90) = 44.721% kept HB3 SER 49 - HN SER 69 14.286% * 25.7792% (0.71 1.68 0.54) = 25.779% kept HA VAL 65 - HN SER 69 14.286% * 13.6808% (0.57 1.11 0.02) = 13.681% kept HA VAL 105 - HN SER 69 14.286% * 12.2219% (0.67 0.84 0.11) = 12.222% kept HB THR 106 - HN SER 69 14.286% * 3.3629% (0.67 0.23 0.02) = 3.363% kept HA VAL 87 - HN SER 69 14.286% * 0.1705% (0.39 0.02 0.02) = 0.170% HB2 SER 88 - HN SER 69 14.286% * 0.0641% (0.15 0.02 0.02) = 0.064% Peak 1248 (2.88, 8.87, 121.88 ppm): 3 chemical-shift based assignments, quality = 0.159, support = 3.01, residual support = 15.2: HB2 HIS+ 98 - HN ILE 68 33.333% * 97.2143% (0.15 3.09 15.60) = 97.214% kept HB3 ASN 57 - HN ILE 68 33.333% * 1.5286% (0.37 0.02 0.02) = 1.529% kept HE3 LYS+ 81 - HN ILE 68 33.333% * 1.2571% (0.31 0.02 0.02) = 1.257% kept Peak 1249 (4.92, 9.08, 129.85 ppm): 2 chemical-shift based assignments, quality = 0.282, support = 1.33, residual support = 9.18: * HA ILE 101 - HN LYS+ 66 50.000% * 97.6886% (0.28 1.36 9.40) = 97.689% kept HA ALA 33 - HN LYS+ 66 50.000% * 2.3114% (0.45 0.02 0.02) = 2.311% kept Peak 1250 (4.13, 8.37, 103.40 ppm): 8 chemical-shift based assignments, quality = 0.835, support = 3.02, residual support = 15.0: * O HA2 GLY 71 - HN GLY 71 12.500% * 86.9580% (0.94 10.0 3.09 15.29) = 86.958% kept O HA ALA 70 - HN GLY 71 12.500% * 12.4408% (0.13 10.0 2.72 14.06) = 12.441% kept HA THR 46 - HN GLY 71 12.500% * 0.2283% (0.37 1.0 0.13 0.02) = 0.228% HA LYS+ 110 - HN GLY 71 12.500% * 0.0901% (0.98 1.0 0.02 0.02) = 0.090% HB3 SER 49 - HN GLY 71 12.500% * 0.0894% (0.97 1.0 0.02 0.02) = 0.089% HA ARG+ 53 - HN GLY 71 12.500% * 0.0887% (0.96 1.0 0.02 0.02) = 0.089% HB2 SER 88 - HN GLY 71 12.500% * 0.0703% (0.76 1.0 0.02 0.02) = 0.070% HA VAL 87 - HN GLY 71 12.500% * 0.0345% (0.37 1.0 0.02 0.02) = 0.035% Peak 1251 (4.96, 7.96, 122.12 ppm): 5 chemical-shift based assignments, quality = 0.46, support = 1.1, residual support = 2.44: HA SER 69 - HN LYS+ 72 20.000% * 47.7211% (0.20 1.90 4.17) = 47.721% kept HA ILE 101 - HN LYS+ 72 20.000% * 38.5678% (0.65 0.47 1.16) = 38.568% kept HA HIS+ 98 - HN LYS+ 72 20.000% * 10.8298% (0.92 0.09 0.02) = 10.830% kept HA MET 97 - HN LYS+ 72 20.000% * 1.7434% (0.69 0.02 0.02) = 1.743% kept HA ALA 33 - HN LYS+ 72 20.000% * 1.1379% (0.45 0.02 0.02) = 1.138% kept Reference assignment not found: HA ILE 68 - HN LYS+ 72 Peak 1254 (4.79, 9.28, 130.07 ppm): 4 chemical-shift based assignments, quality = 0.78, support = 6.73, residual support = 119.4: * O HA LEU 23 - HN LEU 23 25.000% * 99.3170% (0.79 10.0 6.77 120.22) = 99.317% kept HA GLU- 18 - HN LEU 23 25.000% * 0.4383% (0.39 1.0 0.18 0.02) = 0.438% HB THR 39 - HN LEU 23 25.000% * 0.1678% (0.35 1.0 0.08 0.02) = 0.168% HA ASN 15 - HN LEU 23 25.000% * 0.0769% (0.61 1.0 0.02 0.02) = 0.077% Peak 1255 (8.82, 8.96, 124.78 ppm): 9 chemical-shift based assignments, quality = 0.66, support = 0.646, residual support = 0.439: T HN LYS+ 32 - HN ILE 19 11.111% * 52.4865% (0.75 10.00 0.75 0.49) = 52.486% kept T HN LYS+ 32 - HN LEU 17 11.111% * 25.5681% (0.44 10.00 0.63 0.59) = 25.568% kept T HN LYS+ 32 - HN THR 96 11.111% * 13.0605% (0.73 10.00 0.19 0.02) = 13.061% kept HN LYS+ 60 - HN ILE 19 11.111% * 6.0767% (0.68 1.00 0.96 0.42) = 6.077% kept HN LYS+ 60 - HN THR 96 11.111% * 2.3792% (0.66 1.00 0.39 0.02) = 2.379% kept HN ASN 57 - HN ILE 19 11.111% * 0.1393% (0.75 1.00 0.02 0.02) = 0.139% HN ASN 57 - HN THR 96 11.111% * 0.1359% (0.73 1.00 0.02 0.02) = 0.136% HN ASN 57 - HN LEU 17 11.111% * 0.0808% (0.43 1.00 0.02 0.02) = 0.081% HN LYS+ 60 - HN LEU 17 11.111% * 0.0731% (0.39 1.00 0.02 0.02) = 0.073% Peak 1256 (8.76, 8.60, 125.48 ppm): 6 chemical-shift based assignments, quality = 0.568, support = 4.38, residual support = 4.98: * T HN THR 95 - HN LYS+ 20 16.667% * 69.5131% (0.41 10.00 5.52 7.00) = 69.513% kept HN PHE 34 - HN LYS+ 20 16.667% * 18.3778% (1.00 1.00 2.18 0.26) = 18.378% kept HN VAL 62 - HN LYS+ 20 16.667% * 9.7767% (0.96 1.00 1.20 0.66) = 9.777% kept HN SER 69 - HN LYS+ 20 16.667% * 2.2432% (0.25 1.00 1.06 0.02) = 2.243% kept HN ILE 101 - HN LYS+ 20 16.667% * 0.0470% (0.28 1.00 0.02 0.02) = 0.047% HN GLU- 56 - HN LYS+ 20 16.667% * 0.0422% (0.25 1.00 0.02 0.02) = 0.042% Peak 1257 (8.58, 8.78, 126.61 ppm): 4 chemical-shift based assignments, quality = 0.4, support = 5.24, residual support = 6.66: * T HN LYS+ 20 - HN THR 95 25.000% * 94.6077% (0.37 10.00 5.52 7.00) = 94.608% kept HN VAL 80 - HN THR 95 25.000% * 4.9017% (0.96 1.00 0.40 0.70) = 4.902% kept HN VAL 73 - HN THR 95 25.000% * 0.2521% (1.00 1.00 0.02 0.02) = 0.252% HN THR 39 - HN THR 95 25.000% * 0.2385% (0.94 1.00 0.02 0.17) = 0.238% Peak 1258 (4.94, 8.94, 125.29 ppm): 3 chemical-shift based assignments, quality = 0.882, support = 2.54, residual support = 4.72: HA ALA 33 - HN ARG+ 22 33.333% * 34.5442% (1.00 2.27 2.07) = 34.544% kept HA ILE 101 - HN ARG+ 22 33.333% * 33.5999% (0.95 2.33 3.69) = 33.600% kept * HA HIS+ 98 - HN ARG+ 22 33.333% * 31.8559% (0.69 3.05 8.68) = 31.856% kept Peak 1259 (4.38, 8.94, 125.29 ppm): 14 chemical-shift based assignments, quality = 0.667, support = 0.538, residual support = 0.313: HA THR 95 - HN ARG+ 22 7.143% * 35.5728% (0.57 0.93 0.84) = 35.573% kept HA SER 27 - HN ARG+ 22 7.143% * 24.8138% (0.97 0.38 0.02) = 24.814% kept HA PRO 104 - HN ARG+ 22 7.143% * 16.7348% (0.45 0.55 0.02) = 16.735% kept HB THR 61 - HN ARG+ 22 7.143% * 6.8469% (0.61 0.17 0.02) = 6.847% kept HA LYS+ 60 - HN ARG+ 22 7.143% * 5.2499% (0.87 0.09 0.02) = 5.250% kept HA2 GLY 26 - HN ARG+ 22 7.143% * 2.8201% (0.49 0.09 0.02) = 2.820% kept HA PRO 116 - HN ARG+ 22 7.143% * 1.4949% (0.22 0.10 0.02) = 1.495% kept HA ALA 91 - HN ARG+ 22 7.143% * 1.3415% (0.99 0.02 0.02) = 1.341% kept HA ALA 37 - HN ARG+ 22 7.143% * 1.2803% (0.95 0.02 0.02) = 1.280% kept HA SER 88 - HN ARG+ 22 7.143% * 1.2803% (0.95 0.02 0.02) = 1.280% kept HA TRP 51 - HN ARG+ 22 7.143% * 1.1305% (0.84 0.02 0.02) = 1.131% kept HA ASN 57 - HN ARG+ 22 7.143% * 0.8209% (0.61 0.02 1.50) = 0.821% HA PRO 112 - HN ARG+ 22 7.143% * 0.3763% (0.28 0.02 0.02) = 0.376% HA PRO 86 - HN ARG+ 22 7.143% * 0.2370% (0.18 0.02 0.02) = 0.237% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 1260 (7.58, 9.36, 115.05 ppm): 5 chemical-shift based assignments, quality = 0.264, support = 4.75, residual support = 13.2: T HN ASP- 25 - HN THR 24 20.000% * 96.0686% (0.24 10.00 4.94 13.72) = 96.069% kept HD21 ASN 15 - HN THR 24 20.000% * 3.1416% (0.93 1.00 0.17 0.23) = 3.142% kept HN LYS+ 78 - HN THR 24 20.000% * 0.3844% (0.98 1.00 0.02 0.02) = 0.384% HD22 ASN 119 - HN THR 24 20.000% * 0.2027% (0.52 1.00 0.02 0.02) = 0.203% HN VAL 65 - HN THR 24 20.000% * 0.2027% (0.52 1.00 0.02 0.02) = 0.203% Peak 1261 (7.31, 8.96, 124.78 ppm): 21 chemical-shift based assignments, quality = 0.453, support = 2.64, residual support = 19.5: * QD PHE 34 - HN ILE 19 4.762% * 37.3375% (0.68 2.38 22.00) = 37.337% kept QE PHE 34 - HN ILE 19 4.762% * 26.2317% (0.34 3.34 22.00) = 26.232% kept HZ PHE 34 - HN ILE 19 4.762% * 24.8715% (0.34 3.17 22.00) = 24.871% kept HZ2 TRP 51 - HN ILE 19 4.762% * 8.1927% (0.34 1.04 0.48) = 8.193% kept HN ARG+ 84 - HN ILE 19 4.762% * 0.3379% (0.73 0.02 0.02) = 0.338% HN VAL 47 - HN ILE 19 4.762% * 0.3312% (0.71 0.02 0.02) = 0.331% HN ARG+ 84 - HN THR 96 4.762% * 0.3297% (0.71 0.02 0.02) = 0.330% HN VAL 47 - HN THR 96 4.762% * 0.3231% (0.70 0.02 0.02) = 0.323% QD PHE 34 - HN THR 96 4.762% * 0.3063% (0.66 0.02 0.02) = 0.306% HN ARG+ 84 - HN LEU 17 4.762% * 0.1960% (0.42 0.02 1.76) = 0.196% HN VAL 47 - HN LEU 17 4.762% * 0.1922% (0.41 0.02 0.02) = 0.192% QD PHE 34 - HN LEU 17 4.762% * 0.1822% (0.39 0.02 0.02) = 0.182% HN ILE 48 - HN ILE 19 4.762% * 0.1704% (0.37 0.02 0.02) = 0.170% HN ILE 48 - HN THR 96 4.762% * 0.1663% (0.36 0.02 0.02) = 0.166% QE PHE 34 - HN THR 96 4.762% * 0.1531% (0.33 0.02 0.02) = 0.153% HZ2 TRP 51 - HN THR 96 4.762% * 0.1531% (0.33 0.02 0.02) = 0.153% HZ PHE 34 - HN THR 96 4.762% * 0.1531% (0.33 0.02 0.02) = 0.153% HN ILE 48 - HN LEU 17 4.762% * 0.0989% (0.21 0.02 0.02) = 0.099% HZ PHE 34 - HN LEU 17 4.762% * 0.0911% (0.20 0.02 0.02) = 0.091% HZ2 TRP 51 - HN LEU 17 4.762% * 0.0911% (0.20 0.02 0.16) = 0.091% QE PHE 34 - HN LEU 17 4.762% * 0.0911% (0.20 0.02 0.02) = 0.091% Peak 1262 (9.29, 8.29, 117.49 ppm): 2 chemical-shift based assignments, quality = 0.787, support = 3.92, residual support = 18.0: HN ILE 29 - HN ASP- 28 50.000% * 57.6127% (0.65 5.02 26.71) = 57.613% kept HN LEU 23 - HN ASP- 28 50.000% * 42.3873% (0.98 2.44 6.17) = 42.387% kept Peak 1263 (4.78, 7.61, 117.98 ppm): 2 chemical-shift based assignments, quality = 0.529, support = 2.64, residual support = 4.18: * HA LEU 23 - HN ASP- 25 50.000% * 83.8363% (0.45 3.10 4.93) = 83.836% kept HA ASN 15 - HN ASP- 25 50.000% * 16.1637% (0.96 0.28 0.32) = 16.164% kept Peak 1264 (4.06, 7.61, 117.98 ppm): 6 chemical-shift based assignments, quality = 0.291, support = 4.05, residual support = 10.7: * O HA THR 24 - HN ASP- 25 16.667% * 78.1074% (0.15 10.0 5.06 13.72) = 78.107% kept HA VAL 125 - HN ASP- 25 16.667% * 12.1548% (0.99 1.0 0.48 0.02) = 12.155% kept HB3 SER 49 - HN ASP- 25 16.667% * 7.0571% (0.45 1.0 0.62 0.02) = 7.057% kept HB2 SER 49 - HN ASP- 25 16.667% * 1.9864% (1.00 1.0 0.08 0.02) = 1.986% kept HB THR 38 - HN ASP- 25 16.667% * 0.4673% (0.92 1.0 0.02 0.02) = 0.467% HB3 SER 85 - HN ASP- 25 16.667% * 0.2270% (0.45 1.0 0.02 0.02) = 0.227% Peak 1265 (4.38, 8.02, 117.84 ppm): 14 chemical-shift based assignments, quality = 0.776, support = 2.1, residual support = 6.15: * O HA SER 27 - HN SER 27 7.143% * 64.4310% (0.94 10.0 1.98 5.99) = 64.431% kept O HA2 GLY 26 - HN SER 27 7.143% * 32.7553% (0.47 10.0 2.44 6.98) = 32.755% kept HA TRP 51 - HN SER 27 7.143% * 2.3660% (0.81 1.0 0.84 0.10) = 2.366% kept HA ALA 91 - HN SER 27 7.143% * 0.0667% (0.96 1.0 0.02 0.02) = 0.067% HA SER 88 - HN SER 27 7.143% * 0.0637% (0.92 1.0 0.02 0.02) = 0.064% HA ALA 37 - HN SER 27 7.143% * 0.0637% (0.92 1.0 0.02 0.02) = 0.064% HA LYS+ 60 - HN SER 27 7.143% * 0.0584% (0.84 1.0 0.02 0.02) = 0.058% HA ASN 57 - HN SER 27 7.143% * 0.0408% (0.59 1.0 0.02 0.02) = 0.041% HB THR 61 - HN SER 27 7.143% * 0.0408% (0.59 1.0 0.02 0.02) = 0.041% HA THR 95 - HN SER 27 7.143% * 0.0381% (0.55 1.0 0.02 0.02) = 0.038% HA PRO 104 - HN SER 27 7.143% * 0.0302% (0.43 1.0 0.02 0.15) = 0.030% HA PRO 112 - HN SER 27 7.143% * 0.0187% (0.27 1.0 0.02 0.02) = 0.019% HA PRO 116 - HN SER 27 7.143% * 0.0150% (0.22 1.0 0.02 0.02) = 0.015% HA PRO 86 - HN SER 27 7.143% * 0.0118% (0.17 1.0 0.02 0.02) = 0.012% Peak 1266 (8.94, 8.30, 121.53 ppm): 6 chemical-shift based assignments, quality = 0.784, support = 4.01, residual support = 8.36: * T HN ARG+ 22 - HN VAL 99 16.667% * 80.2188% (0.81 10.00 4.43 9.56) = 80.219% kept HN PHE 21 - HN VAL 99 16.667% * 11.2275% (0.82 1.00 2.77 5.39) = 11.227% kept HN MET 97 - HN VAL 99 16.667% * 4.6319% (0.37 1.00 2.52 1.69) = 4.632% kept HN THR 96 - HN VAL 99 16.667% * 2.6679% (0.82 1.00 0.65 0.02) = 2.668% kept HN LEU 17 - HN VAL 99 16.667% * 1.2414% (0.53 1.00 0.47 0.32) = 1.241% kept HN ILE 19 - HN VAL 99 16.667% * 0.0126% (0.13 1.00 0.02 0.02) = 0.013% Peak 1267 (4.24, 8.48, 122.19 ppm): 16 chemical-shift based assignments, quality = 0.678, support = 0.17, residual support = 0.0197: HA ALA 11 - HN LYS+ 113 6.250% * 25.3159% (0.68 0.30 0.02) = 25.316% kept HA ASN 76 - HN LYS+ 113 6.250% * 17.2408% (0.61 0.23 0.02) = 17.241% kept HA PRO 59 - HN LYS+ 113 6.250% * 14.9228% (0.84 0.14 0.02) = 14.923% kept HA GLU- 10 - HN LYS+ 113 6.250% * 10.3946% (0.88 0.10 0.02) = 10.395% kept HA SER 49 - HN LYS+ 113 6.250% * 9.7628% (0.74 0.11 0.02) = 9.763% kept HB3 SER 49 - HN LYS+ 113 6.250% * 4.6170% (0.35 0.11 0.02) = 4.617% kept HA GLU- 75 - HN LYS+ 113 6.250% * 3.4671% (0.30 0.09 0.02) = 3.467% kept HA GLU- 56 - HN LYS+ 113 6.250% * 2.2513% (0.18 0.10 0.02) = 2.251% kept HA LYS+ 108 - HN LYS+ 113 6.250% * 2.1795% (0.88 0.02 0.02) = 2.180% kept HA GLU- 54 - HN LYS+ 113 6.250% * 2.1795% (0.88 0.02 0.02) = 2.180% kept HA ALA 42 - HN LYS+ 113 6.250% * 1.9721% (0.80 0.02 0.02) = 1.972% kept HA ASN 119 - HN LYS+ 113 6.250% * 1.4225% (0.58 0.02 0.02) = 1.423% kept HA GLU- 107 - HN LYS+ 113 6.250% * 1.4225% (0.58 0.02 0.02) = 1.423% kept HA GLU- 109 - HN LYS+ 113 6.250% * 1.4225% (0.58 0.02 0.02) = 1.423% kept HA GLU- 12 - HN LYS+ 113 6.250% * 0.7501% (0.30 0.02 0.02) = 0.750% HA GLU- 64 - HN LYS+ 113 6.250% * 0.6787% (0.28 0.02 0.02) = 0.679% Not enough support, support cutoff is 0.27 Peak unassigned. Peak 1268 (2.75, 8.24, 106.55 ppm): 2 chemical-shift based assignments, quality = 0.572, support = 0.0874, residual support = 0.02: HB3 ASP- 115 - HN GLY 58 50.000% * 89.4488% (0.60 0.10 0.02) = 89.449% kept HB3 PHE 21 - HN GLY 58 50.000% * 10.5512% (0.34 0.02 0.02) = 10.551% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 1269 (4.17, 8.46, 124.23 ppm): 21 chemical-shift based assignments, quality = 0.791, support = 1.51, residual support = 3.21: HB THR 106 - HN GLU- 107 4.762% * 47.0869% (0.80 2.28 6.73) = 47.087% kept HA VAL 73 - HN GLU- 107 4.762% * 22.6232% (0.80 1.10 0.12) = 22.623% kept HB3 SER 49 - HN GLU- 107 4.762% * 17.0699% (0.87 0.76 0.02) = 17.070% kept HA VAL 105 - HN GLU- 107 4.762% * 10.5033% (0.80 0.51 0.11) = 10.503% kept HB3 SER 49 - HN GLU- 10 4.762% * 0.9457% (0.23 0.16 0.02) = 0.946% HA VAL 65 - HN GLU- 107 4.762% * 0.3812% (0.74 0.02 0.02) = 0.381% HA VAL 87 - HN GLU- 107 4.762% * 0.2317% (0.45 0.02 0.02) = 0.232% HB3 SER 49 - HN GLU- 18 4.762% * 0.1079% (0.21 0.02 0.02) = 0.108% HB THR 106 - HN GLU- 10 4.762% * 0.1071% (0.21 0.02 0.02) = 0.107% HA VAL 105 - HN GLU- 10 4.762% * 0.1071% (0.21 0.02 0.02) = 0.107% HA VAL 73 - HN GLU- 10 4.762% * 0.1071% (0.21 0.02 0.02) = 0.107% HB THR 106 - HN GLU- 18 4.762% * 0.0992% (0.19 0.02 0.02) = 0.099% HA VAL 105 - HN GLU- 18 4.762% * 0.0992% (0.19 0.02 0.02) = 0.099% HA VAL 73 - HN GLU- 18 4.762% * 0.0992% (0.19 0.02 0.02) = 0.099% HA VAL 65 - HN GLU- 10 4.762% * 0.0989% (0.19 0.02 0.02) = 0.099% HA VAL 65 - HN GLU- 18 4.762% * 0.0916% (0.18 0.02 0.02) = 0.092% HB2 SER 88 - HN GLU- 107 4.762% * 0.0834% (0.16 0.02 0.02) = 0.083% HA VAL 87 - HN GLU- 10 4.762% * 0.0601% (0.12 0.02 0.02) = 0.060% HA VAL 87 - HN GLU- 18 4.762% * 0.0557% (0.11 0.02 0.02) = 0.056% HB2 SER 88 - HN GLU- 10 4.762% * 0.0216% (0.04 0.02 0.02) = 0.022% HB2 SER 88 - HN GLU- 18 4.762% * 0.0200% (0.04 0.02 0.02) = 0.020% Peak 1270 (2.21, 8.49, 124.44 ppm): 42 chemical-shift based assignments, quality = 0.586, support = 2.91, residual support = 36.5: * HG3 GLU- 18 - HN GLU- 18 2.381% * 67.6900% (0.58 4.12 53.83) = 67.690% kept HG2 PRO 112 - HN GLU- 18 2.381% * 15.4760% (0.80 0.68 0.12) = 15.476% kept HG3 MET 97 - HN GLU- 18 2.381% * 3.5891% (0.72 0.18 0.02) = 3.589% kept HG3 MET 126 - HN GLU- 18 2.381% * 2.0855% (0.77 0.10 0.02) = 2.086% kept HG2 PRO 112 - HN GLU- 10 2.381% * 1.8474% (0.87 0.08 0.02) = 1.847% kept HG2 MET 126 - HN GLU- 18 2.381% * 1.5737% (0.55 0.10 0.02) = 1.574% kept HB3 GLU- 75 - HN GLU- 18 2.381% * 1.1406% (0.11 0.36 0.02) = 1.141% kept HG3 MET 126 - HN GLU- 10 2.381% * 0.4747% (0.84 0.02 0.02) = 0.475% HB3 GLU- 75 - HN GLU- 107 2.381% * 0.4540% (0.03 0.64 0.02) = 0.454% HA1 GLY 58 - HN GLU- 10 2.381% * 0.4411% (0.78 0.02 0.02) = 0.441% HG3 MET 97 - HN GLU- 10 2.381% * 0.4411% (0.78 0.02 0.02) = 0.441% HA1 GLY 58 - HN GLU- 18 2.381% * 0.4062% (0.72 0.02 0.02) = 0.406% HB2 GLU- 50 - HN GLU- 10 2.381% * 0.3938% (0.70 0.02 0.02) = 0.394% HB2 GLU- 50 - HN GLU- 18 2.381% * 0.3626% (0.64 0.02 0.02) = 0.363% HG3 GLU- 18 - HN GLU- 10 2.381% * 0.3572% (0.63 0.02 0.02) = 0.357% HG2 MET 126 - HN GLU- 10 2.381% * 0.3379% (0.60 0.02 0.02) = 0.338% HG3 GLN 102 - HN GLU- 10 2.381% * 0.2983% (0.53 0.02 0.02) = 0.298% HG3 GLN 102 - HN GLU- 18 2.381% * 0.2747% (0.49 0.02 0.77) = 0.275% HG3 GLU- 109 - HN GLU- 10 2.381% * 0.2394% (0.42 0.02 0.02) = 0.239% HB2 PRO 52 - HN GLU- 10 2.381% * 0.2394% (0.42 0.02 0.02) = 0.239% HG3 GLU- 109 - HN GLU- 18 2.381% * 0.2204% (0.39 0.02 0.02) = 0.220% HB2 PRO 52 - HN GLU- 18 2.381% * 0.2204% (0.39 0.02 0.02) = 0.220% HB VAL 99 - HN GLU- 10 2.381% * 0.1095% (0.19 0.02 0.02) = 0.110% HG2 PRO 112 - HN GLU- 107 2.381% * 0.1013% (0.18 0.02 0.02) = 0.101% HB VAL 99 - HN GLU- 18 2.381% * 0.1008% (0.18 0.02 0.02) = 0.101% HG3 MET 126 - HN GLU- 107 2.381% * 0.0979% (0.17 0.02 0.02) = 0.098% HB3 PRO 104 - HN GLU- 10 2.381% * 0.0973% (0.17 0.02 0.02) = 0.097% HG3 MET 97 - HN GLU- 107 2.381% * 0.0910% (0.16 0.02 0.02) = 0.091% HA1 GLY 58 - HN GLU- 107 2.381% * 0.0910% (0.16 0.02 0.02) = 0.091% HB3 PRO 104 - HN GLU- 18 2.381% * 0.0896% (0.16 0.02 0.02) = 0.090% HB2 GLU- 50 - HN GLU- 107 2.381% * 0.0812% (0.14 0.02 0.02) = 0.081% HB3 GLU- 45 - HN GLU- 10 2.381% * 0.0759% (0.13 0.02 0.85) = 0.076% HG3 GLU- 18 - HN GLU- 107 2.381% * 0.0737% (0.13 0.02 0.02) = 0.074% HB3 GLU- 45 - HN GLU- 18 2.381% * 0.0699% (0.12 0.02 0.02) = 0.070% HG2 MET 126 - HN GLU- 107 2.381% * 0.0697% (0.12 0.02 0.02) = 0.070% HB3 GLU- 75 - HN GLU- 10 2.381% * 0.0689% (0.12 0.02 0.02) = 0.069% HG3 GLN 102 - HN GLU- 107 2.381% * 0.0615% (0.11 0.02 0.02) = 0.062% HG3 GLU- 109 - HN GLU- 107 2.381% * 0.0494% (0.09 0.02 0.02) = 0.049% HB2 PRO 52 - HN GLU- 107 2.381% * 0.0494% (0.09 0.02 0.02) = 0.049% HB VAL 99 - HN GLU- 107 2.381% * 0.0226% (0.04 0.02 0.02) = 0.023% HB3 PRO 104 - HN GLU- 107 2.381% * 0.0201% (0.04 0.02 0.02) = 0.020% HB3 GLU- 45 - HN GLU- 107 2.381% * 0.0157% (0.03 0.02 0.02) = 0.016% Peak 1271 (1.75, 8.34, 118.74 ppm): 8 chemical-shift based assignments, quality = 0.873, support = 1.58, residual support = 0.727: HB ILE 48 - HN GLU- 50 12.500% * 35.4180% (0.80 2.38 0.85) = 35.418% kept HD3 PRO 59 - HN GLU- 50 12.500% * 29.8503% (0.92 1.74 0.81) = 29.850% kept HB2 LEU 17 - HN GLU- 50 12.500% * 14.1360% (0.99 0.77 0.44) = 14.136% kept HB2 LYS+ 117 - HN GLU- 50 12.500% * 10.0795% (0.94 0.57 0.13) = 10.080% kept HB3 LEU 23 - HN GLU- 50 12.500% * 8.9188% (0.92 0.52 1.20) = 8.919% kept HG2 ARG+ 84 - HN GLU- 50 12.500% * 0.9524% (0.28 0.18 0.02) = 0.952% HB3 GLU- 18 - HN GLU- 50 12.500% * 0.5524% (0.31 0.10 0.02) = 0.552% HB2 ARG+ 84 - HN GLU- 50 12.500% * 0.0926% (0.25 0.02 0.02) = 0.093% Peak 1272 (4.19, 8.34, 118.74 ppm): 7 chemical-shift based assignments, quality = 0.774, support = 2.98, residual support = 16.7: HB3 SER 49 - HN GLU- 50 14.286% * 94.1285% (0.79 3.16 17.78) = 94.128% kept HA VAL 73 - HN GLU- 50 14.286% * 4.4315% (0.64 0.18 0.02) = 4.432% kept HA VAL 65 - HN GLU- 50 14.286% * 0.5409% (0.72 0.02 0.02) = 0.541% HA ASP- 82 - HN GLU- 50 14.286% * 0.5117% (0.68 0.02 0.02) = 0.512% HA GLU- 12 - HN GLU- 50 14.286% * 0.1857% (0.25 0.02 0.02) = 0.186% HB THR 106 - HN GLU- 50 14.286% * 0.1008% (0.13 0.02 0.02) = 0.101% HA VAL 105 - HN GLU- 50 14.286% * 0.1008% (0.13 0.02 0.02) = 0.101% Reference assignment not found: HA SER 49 - HN GLU- 50 Peak 1273 (4.56, 7.59, 122.90 ppm): 4 chemical-shift based assignments, quality = 0.62, support = 4.48, residual support = 41.7: * O HA LYS+ 78 - HN LYS+ 78 25.000% * 99.8018% (0.62 10.0 4.49 41.77) = 99.802% kept HA LEU 17 - HN LYS+ 78 25.000% * 0.1163% (0.72 1.0 0.02 0.02) = 0.116% HA ALA 103 - HN LYS+ 78 25.000% * 0.0496% (0.31 1.0 0.02 0.02) = 0.050% HA LYS+ 72 - HN LYS+ 78 25.000% * 0.0323% (0.20 1.0 0.02 0.02) = 0.032% Peak 1274 (5.37, 9.03, 108.30 ppm): 1 chemical-shift based assignment, quality = 0.99, support = 4.22, residual support = 27.8: * O HA THR 79 - HN THR 79 100.000% *100.0000% (0.99 10.0 4.22 27.82) = 100.000% kept Peak 1275 (4.51, 9.03, 108.30 ppm): 6 chemical-shift based assignments, quality = 0.742, support = 3.71, residual support = 26.4: * O HB THR 79 - HN THR 79 16.667% * 94.8208% (0.76 10.0 3.84 27.82) = 94.821% kept HA SER 77 - HN THR 79 16.667% * 4.3580% (0.41 1.0 1.71 0.02) = 4.358% kept HB THR 46 - HN THR 79 16.667% * 0.6081% (0.96 1.0 0.10 0.02) = 0.608% HA LYS+ 55 - HN THR 79 16.667% * 0.1197% (0.96 1.0 0.02 0.02) = 0.120% HA CYS 123 - HN THR 79 16.667% * 0.0510% (0.41 1.0 0.02 0.02) = 0.051% HA ALA 103 - HN THR 79 16.667% * 0.0423% (0.34 1.0 0.02 0.02) = 0.042% Peak 1276 (2.62, 9.03, 108.30 ppm): 6 chemical-shift based assignments, quality = 0.318, support = 2.75, residual support = 9.18: * HB3 ASP- 82 - HN THR 79 16.667% * 86.7386% (0.28 3.16 10.55) = 86.739% kept HB2 PHE 34 - HN THR 79 16.667% * 6.0650% (0.49 0.13 0.02) = 6.065% kept HG2 MET 118 - HN THR 79 16.667% * 3.0411% (0.37 0.08 0.02) = 3.041% kept HB2 ASP- 25 - HN THR 79 16.667% * 1.9384% (0.98 0.02 0.02) = 1.938% kept HE3 LYS+ 20 - HN THR 79 16.667% * 1.8255% (0.92 0.02 1.30) = 1.826% kept HB3 ASP- 36 - HN THR 79 16.667% * 0.3914% (0.20 0.02 0.02) = 0.391% Peak 1277 (3.70, 7.53, 115.71 ppm): 3 chemical-shift based assignments, quality = 0.957, support = 3.98, residual support = 16.8: O HA LYS+ 81 - HN ASP- 82 33.333% * 98.2439% (0.96 10.0 4.05 17.12) = 98.244% kept HB3 SER 69 - HN ASP- 82 33.333% * 1.6561% (0.78 1.0 0.41 0.02) = 1.656% kept HB2 TRP 51 - HN ASP- 82 33.333% * 0.1000% (0.98 1.0 0.02 0.02) = 0.100% Peak 1279 (3.42, 7.53, 115.71 ppm): 2 chemical-shift based assignments, quality = 0.59, support = 0.63, residual support = 0.616: HA ILE 48 - HN ASP- 82 50.000% * 98.5847% (0.59 0.64 0.62) = 98.585% kept HA VAL 62 - HN ASP- 82 50.000% * 1.4153% (0.27 0.02 0.02) = 1.415% kept Peak 1280 (1.31, 7.53, 115.71 ppm): 6 chemical-shift based assignments, quality = 0.563, support = 2.34, residual support = 4.99: QG2 THR 46 - HN ASP- 82 16.667% * 44.2770% (0.78 2.08 1.05) = 44.277% kept HG2 LYS+ 81 - HN ASP- 82 16.667% * 24.8505% (0.19 4.73 17.12) = 24.850% kept HB2 ARG+ 22 - HN ASP- 82 16.667% * 14.0542% (0.44 1.18 1.60) = 14.054% kept QB ALA 103 - HN ASP- 82 16.667% * 6.1962% (0.90 0.25 0.02) = 6.196% kept HB2 LYS+ 55 - HN ASP- 82 16.667% * 5.4489% (0.67 0.30 0.12) = 5.449% kept HG13 ILE 101 - HN ASP- 82 16.667% * 5.1733% (0.24 0.78 0.69) = 5.173% kept Reference assignment not found: HG3 LYS+ 81 - HN ASP- 82 Peak 1281 (0.89, 7.59, 122.90 ppm): 9 chemical-shift based assignments, quality = 0.737, support = 0.336, residual support = 0.138: * QG2 VAL 40 - HN LYS+ 78 11.111% * 28.5041% (0.87 0.36 0.43) = 28.504% kept QD1 LEU 67 - HN LYS+ 78 11.111% * 20.4228% (0.77 0.30 0.02) = 20.423% kept QG1 VAL 80 - HN LYS+ 78 11.111% * 16.9219% (0.89 0.21 0.02) = 16.922% kept QG2 VAL 80 - HN LYS+ 78 11.111% * 13.4830% (0.18 0.82 0.02) = 13.483% kept HG3 LYS+ 117 - HN LYS+ 78 11.111% * 10.1844% (0.71 0.16 0.02) = 10.184% kept QG1 VAL 47 - HN LYS+ 78 11.111% * 7.5296% (0.83 0.10 0.02) = 7.530% kept QG2 VAL 87 - HN LYS+ 78 11.111% * 1.5637% (0.87 0.02 0.02) = 1.564% kept QG2 VAL 125 - HN LYS+ 78 11.111% * 1.1355% (0.63 0.02 0.02) = 1.136% kept QG2 ILE 100 - HN LYS+ 78 11.111% * 0.2551% (0.14 0.02 0.02) = 0.255% Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 1282 (0.90, 9.03, 108.30 ppm): 10 chemical-shift based assignments, quality = 0.797, support = 1.58, residual support = 12.0: QG1 VAL 80 - HN THR 79 10.000% * 44.9192% (0.90 1.97 16.14) = 44.919% kept QG2 VAL 40 - HN THR 79 10.000% * 21.0404% (0.99 0.83 8.54) = 21.040% kept QG2 VAL 80 - HN THR 79 10.000% * 18.3823% (0.28 2.60 16.14) = 18.382% kept HG3 LYS+ 117 - HN THR 79 10.000% * 8.4132% (0.87 0.38 0.02) = 8.413% kept QD1 LEU 67 - HN THR 79 10.000% * 2.7253% (0.92 0.12 0.02) = 2.725% kept QG2 VAL 87 - HN THR 79 10.000% * 1.9585% (0.99 0.08 0.02) = 1.959% kept QG1 VAL 47 - HN THR 79 10.000% * 1.8527% (0.96 0.08 0.02) = 1.853% kept HG12 ILE 68 - HN THR 79 10.000% * 0.3198% (0.15 0.08 0.02) = 0.320% QG2 VAL 125 - HN THR 79 10.000% * 0.2879% (0.57 0.02 0.02) = 0.288% HG3 LYS+ 110 - HN THR 79 10.000% * 0.1006% (0.20 0.02 0.02) = 0.101% Peak 1283 (1.75, 8.96, 124.53 ppm): 27 chemical-shift based assignments, quality = 0.913, support = 4.29, residual support = 80.8: * O HB2 LEU 17 - HN LEU 17 3.704% * 88.3375% (1.00 10.0 4.46 88.51) = 88.338% kept HB2 LEU 17 - HN ILE 19 3.704% * 4.5862% (0.36 1.0 2.89 13.76) = 4.586% kept HB3 GLU- 18 - HN LEU 17 3.704% * 3.9735% (0.34 1.0 2.63 33.07) = 3.974% kept HB3 GLU- 18 - HN ILE 19 3.704% * 2.4947% (0.12 1.0 4.60 25.23) = 2.495% kept HD3 PRO 59 - HN LEU 17 3.704% * 0.0837% (0.94 1.0 0.02 0.02) = 0.084% HB2 LYS+ 117 - HN LEU 17 3.704% * 0.0817% (0.92 1.0 0.02 0.02) = 0.082% HB3 LEU 23 - HN LEU 17 3.704% * 0.0794% (0.90 1.0 0.02 0.13) = 0.079% HB ILE 48 - HN LEU 17 3.704% * 0.0677% (0.76 1.0 0.02 0.02) = 0.068% HD3 PRO 59 - HN ILE 19 3.704% * 0.0301% (0.34 1.0 0.02 0.02) = 0.030% HB2 LYS+ 117 - HN ILE 19 3.704% * 0.0293% (0.33 1.0 0.02 0.02) = 0.029% HB3 LEU 23 - HN ILE 19 3.704% * 0.0285% (0.32 1.0 0.02 0.02) = 0.029% HG2 ARG+ 84 - HN LEU 17 3.704% * 0.0273% (0.31 1.0 0.02 1.76) = 0.027% HB2 ARG+ 84 - HN LEU 17 3.704% * 0.0246% (0.28 1.0 0.02 1.76) = 0.025% HB ILE 48 - HN ILE 19 3.704% * 0.0243% (0.27 1.0 0.02 0.02) = 0.024% HB2 LEU 17 - HN THR 96 3.704% * 0.0168% (0.19 1.0 0.02 0.22) = 0.017% HD3 PRO 59 - HN THR 96 3.704% * 0.0159% (0.18 1.0 0.02 0.02) = 0.016% HB2 LYS+ 117 - HN THR 96 3.704% * 0.0155% (0.17 1.0 0.02 0.02) = 0.015% HB3 LEU 23 - HN THR 96 3.704% * 0.0151% (0.17 1.0 0.02 0.02) = 0.015% HG3 ARG+ 53 - HN LEU 17 3.704% * 0.0137% (0.15 1.0 0.02 0.02) = 0.014% HB ILE 48 - HN THR 96 3.704% * 0.0128% (0.14 1.0 0.02 0.02) = 0.013% HG2 ARG+ 84 - HN ILE 19 3.704% * 0.0098% (0.11 1.0 0.02 0.02) = 0.010% HB2 ARG+ 84 - HN ILE 19 3.704% * 0.0088% (0.10 1.0 0.02 0.02) = 0.009% HB3 GLU- 18 - HN THR 96 3.704% * 0.0057% (0.06 1.0 0.02 0.02) = 0.006% HG2 ARG+ 84 - HN THR 96 3.704% * 0.0052% (0.06 1.0 0.02 0.02) = 0.005% HG3 ARG+ 53 - HN ILE 19 3.704% * 0.0049% (0.06 1.0 0.02 0.02) = 0.005% HB2 ARG+ 84 - HN THR 96 3.704% * 0.0047% (0.05 1.0 0.02 0.02) = 0.005% HG3 ARG+ 53 - HN THR 96 3.704% * 0.0026% (0.03 1.0 0.02 0.02) = 0.003% Peak 1285 (3.44, 8.16, 114.88 ppm): 6 chemical-shift based assignments, quality = 0.683, support = 3.73, residual support = 24.4: * O HA VAL 40 - HN SER 41 16.667% * 99.5542% (0.69 10.0 3.75 24.52) = 99.554% kept HA VAL 62 - HN SER 41 16.667% * 0.1446% (1.00 1.0 0.02 0.02) = 0.145% HA ILE 48 - HN SER 41 16.667% * 0.1257% (0.87 1.0 0.02 0.02) = 0.126% HA VAL 80 - HN SER 41 16.667% * 0.0938% (0.65 1.0 0.02 0.02) = 0.094% HD3 PRO 31 - HN SER 41 16.667% * 0.0494% (0.34 1.0 0.02 0.02) = 0.049% HA1 GLY 71 - HN SER 41 16.667% * 0.0323% (0.22 1.0 0.02 0.02) = 0.032% Peak 1286 (1.37, 8.71, 122.58 ppm): 8 chemical-shift based assignments, quality = 0.846, support = 2.37, residual support = 1.73: QG2 THR 39 - HN VAL 40 12.500% * 54.8407% (0.79 3.62 2.95) = 54.841% kept HG2 LYS+ 78 - HN VAL 40 12.500% * 23.6122% (0.94 1.32 0.43) = 23.612% kept HB3 LYS+ 20 - HN VAL 40 12.500% * 7.8513% (0.95 0.43 0.02) = 7.851% kept QB ALA 11 - HN VAL 40 12.500% * 6.5429% (0.97 0.35 0.02) = 6.543% kept HB3 LEU 17 - HN VAL 40 12.500% * 5.2159% (0.83 0.33 0.02) = 5.216% kept HG3 LYS+ 81 - HN VAL 40 12.500% * 1.3755% (0.72 0.10 0.02) = 1.376% kept HD3 LYS+ 20 - HN VAL 40 12.500% * 0.3318% (0.22 0.08 0.02) = 0.332% HG13 ILE 68 - HN VAL 40 12.500% * 0.2296% (0.60 0.02 0.02) = 0.230% Peak 1287 (1.09, 8.71, 122.58 ppm): 3 chemical-shift based assignments, quality = 0.814, support = 2.53, residual support = 7.67: QG2 THR 79 - HN VAL 40 33.333% * 89.8092% (0.83 2.77 8.54) = 89.809% kept QG2 THR 95 - HN VAL 40 33.333% * 10.0183% (0.72 0.36 0.02) = 10.018% kept QG2 THR 61 - HN VAL 40 33.333% * 0.1726% (0.22 0.02 0.02) = 0.173% Peak 1288 (0.91, 9.25, 131.84 ppm): 13 chemical-shift based assignments, quality = 0.814, support = 1.79, residual support = 6.28: * QD1 LEU 67 - HN ILE 100 7.692% * 71.3915% (0.94 2.31 8.65) = 71.392% kept HG12 ILE 68 - HN ILE 100 7.692% * 11.6359% (0.48 0.73 0.93) = 11.636% kept QG2 VAL 80 - HN ILE 100 7.692% * 9.6138% (0.68 0.43 0.02) = 9.614% kept QG1 VAL 80 - HN ILE 100 7.692% * 4.1064% (0.48 0.26 0.02) = 4.106% kept HG3 LYS+ 117 - HN ILE 100 7.692% * 0.6400% (0.98 0.02 0.02) = 0.640% QG1 VAL 47 - HN ILE 100 7.692% * 0.5855% (0.89 0.02 0.02) = 0.586% QG2 VAL 87 - HN ILE 100 7.692% * 0.5453% (0.83 0.02 0.35) = 0.545% QG2 VAL 40 - HN ILE 100 7.692% * 0.5453% (0.83 0.02 0.02) = 0.545% HG3 LYS+ 110 - HN ILE 100 7.692% * 0.3696% (0.56 0.02 0.02) = 0.370% QG2 VAL 105 - HN ILE 100 7.692% * 0.1628% (0.25 0.02 0.02) = 0.163% QD1 LEU 17 - HN ILE 100 7.692% * 0.1454% (0.22 0.02 0.02) = 0.145% QG2 VAL 125 - HN ILE 100 7.692% * 0.1292% (0.20 0.02 0.02) = 0.129% QG1 VAL 105 - HN ILE 100 7.692% * 0.1292% (0.20 0.02 0.02) = 0.129% Peak 1290 (1.17, 8.24, 123.72 ppm): 5 chemical-shift based assignments, quality = 0.853, support = 0.464, residual support = 13.1: HB2 LEU 74 - HN LEU 67 20.000% * 71.7730% (0.84 0.60 17.19) = 71.773% kept HB2 LEU 43 - HN LEU 67 20.000% * 19.5563% (0.99 0.14 3.85) = 19.556% kept QB ALA 33 - HN LEU 67 20.000% * 3.3596% (0.31 0.08 0.02) = 3.360% kept QG2 THR 106 - HN LEU 67 20.000% * 2.8411% (1.00 0.02 0.02) = 2.841% kept HG3 PRO 59 - HN LEU 67 20.000% * 2.4700% (0.87 0.02 0.80) = 2.470% kept Peak 1291 (4.25, 8.83, 118.01 ppm): 20 chemical-shift based assignments, quality = 0.977, support = 2.68, residual support = 12.5: * O HA PRO 59 - HN LYS+ 60 5.000% * 97.2994% (1.00 10.0 2.74 12.86) = 97.299% kept HA GLU- 75 - HN LYS+ 60 5.000% * 1.7243% (0.52 1.0 0.67 0.18) = 1.724% kept HA ALA 11 - HN LYS+ 60 5.000% * 0.0898% (0.92 1.0 0.02 0.02) = 0.090% HA GLU- 54 - HN LYS+ 60 5.000% * 0.0873% (0.89 1.0 0.02 0.02) = 0.087% HA GLU- 10 - HN LYS+ 60 5.000% * 0.0873% (0.89 1.0 0.02 0.02) = 0.087% HA LYS+ 108 - HN LYS+ 60 5.000% * 0.0873% (0.89 1.0 0.02 0.02) = 0.087% HA ASN 76 - HN LYS+ 60 5.000% * 0.0844% (0.86 1.0 0.02 0.15) = 0.084% HA ASN 119 - HN LYS+ 60 5.000% * 0.0813% (0.83 1.0 0.02 0.02) = 0.081% HA GLU- 107 - HN LYS+ 60 5.000% * 0.0813% (0.83 1.0 0.02 0.02) = 0.081% HA ALA 42 - HN LYS+ 60 5.000% * 0.0707% (0.72 1.0 0.02 0.02) = 0.071% HA SER 49 - HN LYS+ 60 5.000% * 0.0629% (0.64 1.0 0.02 0.02) = 0.063% HA GLU- 64 - HN LYS+ 60 5.000% * 0.0474% (0.48 1.0 0.02 0.02) = 0.047% HA GLU- 109 - HN LYS+ 60 5.000% * 0.0436% (0.45 1.0 0.02 0.02) = 0.044% HB3 SER 49 - HN LYS+ 60 5.000% * 0.0346% (0.35 1.0 0.02 0.02) = 0.035% HA GLU- 56 - HN LYS+ 60 5.000% * 0.0332% (0.34 1.0 0.02 0.02) = 0.033% HA GLU- 12 - HN LYS+ 60 5.000% * 0.0193% (0.20 1.0 0.02 0.02) = 0.019% HA PRO 52 - HN LYS+ 60 5.000% * 0.0170% (0.17 1.0 0.02 0.02) = 0.017% HA ARG+ 84 - HN LYS+ 60 5.000% * 0.0170% (0.17 1.0 0.02 0.02) = 0.017% HA SER 85 - HN LYS+ 60 5.000% * 0.0170% (0.17 1.0 0.02 0.02) = 0.017% HA VAL 94 - HN LYS+ 60 5.000% * 0.0150% (0.15 1.0 0.02 0.02) = 0.015% Peak 1292 (1.57, 7.88, 121.81 ppm): 11 chemical-shift based assignments, quality = 0.534, support = 2.91, residual support = 14.5: * O HB3 LEU 90 - HN LEU 90 9.091% * 74.6724% (0.45 10.0 3.55 19.40) = 74.672% kept HB ILE 19 - HN LEU 90 9.091% * 12.3648% (0.94 1.0 1.57 0.29) = 12.365% kept HG LEU 17 - HN LEU 90 9.091% * 3.7770% (0.92 1.0 0.49 0.17) = 3.777% kept HB3 LYS+ 32 - HN LEU 90 9.091% * 2.6624% (0.69 1.0 0.47 0.21) = 2.662% kept HD3 LYS+ 81 - HN LEU 90 9.091% * 2.2943% (0.80 1.0 0.34 0.02) = 2.294% kept HD3 LYS+ 32 - HN LEU 90 9.091% * 1.6598% (0.22 1.0 0.90 0.21) = 1.660% kept HG12 ILE 29 - HN LEU 90 9.091% * 1.5030% (0.53 1.0 0.34 0.02) = 1.503% kept QG2 THR 24 - HN LEU 90 9.091% * 0.5062% (0.25 1.0 0.24 0.02) = 0.506% QB ALA 42 - HN LEU 90 9.091% * 0.3589% (0.53 1.0 0.08 0.02) = 0.359% HD3 LYS+ 60 - HN LEU 90 9.091% * 0.1445% (0.87 1.0 0.02 0.02) = 0.144% HG13 ILE 29 - HN LEU 90 9.091% * 0.0568% (0.34 1.0 0.02 0.02) = 0.057% Peak 1293 (1.37, 7.88, 121.81 ppm): 8 chemical-shift based assignments, quality = 0.875, support = 0.61, residual support = 0.12: HG2 LYS+ 78 - HN LEU 90 12.500% * 24.2243% (0.87 0.86 0.02) = 24.224% kept HB3 LEU 17 - HN LEU 90 12.500% * 21.1912% (0.92 0.71 0.17) = 21.191% kept HB3 LYS+ 20 - HN LEU 90 12.500% * 14.1428% (1.00 0.44 0.02) = 14.143% kept QB ALA 11 - HN LEU 90 12.500% * 13.4387% (1.00 0.41 0.02) = 13.439% kept QG2 THR 39 - HN LEU 90 12.500% * 12.7012% (0.69 0.57 0.55) = 12.701% kept HG3 LYS+ 81 - HN LEU 90 12.500% * 12.6420% (0.83 0.47 0.02) = 12.642% kept HD3 LYS+ 20 - HN LEU 90 12.500% * 1.3434% (0.15 0.27 0.02) = 1.343% kept HG13 ILE 68 - HN LEU 90 12.500% * 0.3165% (0.49 0.02 0.02) = 0.316% Peak 1294 (-0.03, 7.88, 121.81 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 0.02, residual support = 0.112: QD1 LEU 74 - HN LEU 90 100.000% *100.0000% (0.98 0.02 0.11) = 100.000% kept Not enough support, support cutoff is 0.27 Peak unassigned. Peak 1295 (1.61, 8.29, 124.59 ppm): 10 chemical-shift based assignments, quality = 0.82, support = 0.9, residual support = 0.235: HB3 PRO 52 - HN ALA 91 10.000% * 35.6111% (0.88 1.24 0.50) = 35.611% kept HG2 LYS+ 110 - HN ALA 91 10.000% * 24.3100% (0.91 0.81 0.13) = 24.310% kept HG3 LYS+ 78 - HN ALA 91 10.000% * 22.1139% (0.76 0.89 0.11) = 22.114% kept HD3 LYS+ 32 - HN ALA 91 10.000% * 12.1098% (0.79 0.47 0.02) = 12.110% kept HB3 LYS+ 32 - HN ALA 91 10.000% * 3.0027% (0.34 0.27 0.02) = 3.003% kept HG LEU 43 - HN ALA 91 10.000% * 1.5940% (0.52 0.09 0.02) = 1.594% kept HB VAL 122 - HN ALA 91 10.000% * 0.3382% (0.52 0.02 0.02) = 0.338% HB ILE 68 - HN ALA 91 10.000% * 0.3382% (0.52 0.02 0.02) = 0.338% HG12 ILE 101 - HN ALA 91 10.000% * 0.3143% (0.48 0.02 0.02) = 0.314% HG LEU 23 - HN ALA 91 10.000% * 0.2678% (0.41 0.02 0.02) = 0.268% Peak 1296 (4.24, 8.29, 124.59 ppm): 15 chemical-shift based assignments, quality = 0.605, support = 0.502, residual support = 0.173: HA ALA 11 - HN ALA 91 6.667% * 23.1972% (0.59 0.63 0.32) = 23.197% kept HA GLU- 109 - HN ALA 91 6.667% * 21.5800% (0.70 0.50 0.29) = 21.580% kept HA GLU- 12 - HN ALA 91 6.667% * 21.4507% (0.41 0.84 0.14) = 21.451% kept HA LYS+ 108 - HN ALA 91 6.667% * 12.4786% (0.91 0.22 0.02) = 12.479% kept HB3 SER 49 - HN ALA 91 6.667% * 8.9128% (0.38 0.37 0.02) = 8.913% kept HA GLU- 10 - HN ALA 91 6.667% * 5.7429% (0.91 0.10 0.02) = 5.743% kept HA GLU- 54 - HN ALA 91 6.667% * 1.1333% (0.91 0.02 0.02) = 1.133% kept HA ALA 42 - HN ALA 91 6.667% * 1.0962% (0.88 0.02 0.02) = 1.096% kept HA SER 49 - HN ALA 91 6.667% * 1.0485% (0.84 0.02 0.02) = 1.049% kept HA PRO 59 - HN ALA 91 6.667% * 0.9853% (0.79 0.02 0.02) = 0.985% HA ASN 76 - HN ALA 91 6.667% * 0.6431% (0.52 0.02 0.02) = 0.643% HA ASN 119 - HN ALA 91 6.667% * 0.5976% (0.48 0.02 0.02) = 0.598% HA GLU- 107 - HN ALA 91 6.667% * 0.5976% (0.48 0.02 0.02) = 0.598% HA GLU- 75 - HN ALA 91 6.667% * 0.2832% (0.23 0.02 0.12) = 0.283% HA GLU- 64 - HN ALA 91 6.667% * 0.2529% (0.20 0.02 0.02) = 0.253% Reference assignment not found: HA ALA 91 - HN ALA 91 Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 1297 (-0.03, 8.80, 119.98 ppm): 1 chemical-shift based assignment, quality = 0.689, support = 4.79, residual support = 42.0: * QD1 LEU 74 - HN SER 69 100.000% *100.0000% (0.69 4.79 41.97) = 100.000% kept Peak 1298 (4.65, 7.66, 116.50 ppm): 4 chemical-shift based assignments, quality = 0.339, support = 4.34, residual support = 39.6: * O HA TYR 83 - HN TYR 83 25.000% * 99.5306% (0.34 10.0 4.36 39.83) = 99.531% kept HA LYS+ 120 - HN TYR 83 25.000% * 0.2531% (0.87 1.0 0.02 0.02) = 0.253% HA PRO 35 - HN TYR 83 25.000% * 0.1652% (0.57 1.0 0.02 0.02) = 0.165% HA ASN 89 - HN TYR 83 25.000% * 0.0511% (0.17 1.0 0.02 0.02) = 0.051% Peak 1299 (4.51, 7.53, 115.71 ppm): 6 chemical-shift based assignments, quality = 0.831, support = 1.18, residual support = 4.96: HB THR 79 - HN ASP- 82 16.667% * 43.1208% (0.82 1.55 10.55) = 43.121% kept HB THR 46 - HN ASP- 82 16.667% * 37.4931% (0.90 1.22 1.05) = 37.493% kept HA LYS+ 55 - HN ASP- 82 16.667% * 9.5151% (0.97 0.29 0.12) = 9.515% kept HA CYS 123 - HN ASP- 82 16.667% * 4.8428% (0.48 0.30 0.02) = 4.843% kept HA SER 77 - HN ASP- 82 16.667% * 4.8428% (0.48 0.30 0.02) = 4.843% kept HA ALA 103 - HN ASP- 82 16.667% * 0.1853% (0.27 0.02 0.02) = 0.185% Reference assignment not found: HA THR 79 - HN ASP- 82 Peak 1300 (0.93, 8.24, 118.79 ppm): 33 chemical-shift based assignments, quality = 0.602, support = 2.01, residual support = 3.66: QG2 VAL 80 - HN LYS+ 81 3.030% * 22.7143% (0.64 3.42 9.98) = 22.714% kept QG1 VAL 105 - HN THR 106 3.030% * 15.1688% (0.56 2.62 4.01) = 15.169% kept QG2 VAL 105 - HN THR 106 3.030% * 13.9761% (0.56 2.39 4.01) = 13.976% kept QG2 VAL 73 - HN LYS+ 81 3.030% * 11.6461% (0.57 1.97 1.31) = 11.646% kept QG1 VAL 105 - HN LYS+ 81 3.030% * 8.1719% (0.88 0.90 0.31) = 8.172% kept QG2 VAL 105 - HN LYS+ 81 3.030% * 8.1400% (0.88 0.89 0.31) = 8.140% kept QG2 VAL 62 - HN LYS+ 81 3.030% * 6.2255% (0.68 0.89 0.12) = 6.226% kept QG2 VAL 80 - HN THR 106 3.030% * 4.0265% (0.41 0.95 0.30) = 4.027% kept HG12 ILE 68 - HN THR 106 3.030% * 3.0228% (0.51 0.58 0.02) = 3.023% kept QG2 VAL 73 - HN THR 106 3.030% * 2.4806% (0.36 0.66 0.11) = 2.481% kept QG2 VAL 105 - HN GLU- 45 3.030% * 0.7216% (0.06 1.19 0.32) = 0.722% QG1 VAL 105 - HN GLU- 45 3.030% * 0.6970% (0.06 1.16 0.32) = 0.697% QG2 VAL 73 - HN GLU- 45 3.030% * 0.4673% (0.04 1.19 1.63) = 0.467% HG12 ILE 68 - HN GLU- 45 3.030% * 0.3554% (0.05 0.65 0.02) = 0.355% QG2 VAL 62 - HN GLU- 45 3.030% * 0.3259% (0.04 0.70 0.50) = 0.326% HG3 LYS+ 110 - HN GLU- 45 3.030% * 0.3135% (0.05 0.62 0.11) = 0.314% QG2 ILE 29 - HN GLU- 45 3.030% * 0.2701% (0.04 0.73 0.15) = 0.270% QD1 LEU 17 - HN LYS+ 81 3.030% * 0.1827% (0.88 0.02 0.02) = 0.183% HG12 ILE 68 - HN LYS+ 81 3.030% * 0.1642% (0.79 0.02 0.02) = 0.164% HG3 LYS+ 110 - HN LYS+ 81 3.030% * 0.1529% (0.74 0.02 0.02) = 0.153% QG2 VAL 99 - HN GLU- 45 3.030% * 0.1407% (0.01 0.93 0.58) = 0.141% QD1 LEU 17 - HN THR 106 3.030% * 0.1166% (0.56 0.02 0.02) = 0.117% QG2 ILE 29 - HN LYS+ 81 3.030% * 0.1110% (0.54 0.02 0.02) = 0.111% HG3 LYS+ 110 - HN THR 106 3.030% * 0.0976% (0.47 0.02 0.02) = 0.098% QG2 VAL 62 - HN THR 106 3.030% * 0.0893% (0.43 0.02 0.02) = 0.089% QG2 ILE 29 - HN THR 106 3.030% * 0.0709% (0.34 0.02 0.02) = 0.071% QG2 VAL 99 - HN LYS+ 81 3.030% * 0.0456% (0.22 0.02 0.36) = 0.046% HG3 LYS+ 117 - HN LYS+ 81 3.030% * 0.0321% (0.15 0.02 0.02) = 0.032% QG2 VAL 99 - HN THR 106 3.030% * 0.0291% (0.14 0.02 0.02) = 0.029% HG3 LYS+ 117 - HN THR 106 3.030% * 0.0205% (0.10 0.02 0.02) = 0.020% QD1 LEU 17 - HN GLU- 45 3.030% * 0.0121% (0.06 0.02 0.02) = 0.012% QG2 VAL 80 - HN GLU- 45 3.030% * 0.0088% (0.04 0.02 0.02) = 0.009% HG3 LYS+ 117 - HN GLU- 45 3.030% * 0.0021% (0.01 0.02 0.02) = 0.002% Peak 1301 (1.93, 8.07, 122.75 ppm): 45 chemical-shift based assignments, quality = 0.231, support = 1.8, residual support = 21.2: O HB2 GLU- 75 - HN GLU- 75 2.222% * 87.5540% (0.24 10.0 2.00 24.21) = 87.554% kept HB ILE 29 - HN GLU- 75 2.222% * 2.0987% (0.37 1.0 0.32 0.02) = 2.099% kept HB VAL 13 - HN CYS 121 2.222% * 1.7589% (0.11 1.0 0.87 0.14) = 1.759% kept HB2 GLU- 75 - HN CYS 121 2.222% * 1.5564% (0.47 1.0 0.18 0.02) = 1.556% kept HG2 PRO 112 - HN GLU- 75 2.222% * 1.3815% (0.13 1.0 0.60 0.30) = 1.382% kept HB VAL 13 - HN GLU- 75 2.222% * 1.1832% (0.06 1.0 1.13 0.56) = 1.183% kept HB2 GLU- 75 - HN VAL 122 2.222% * 0.5601% (0.32 1.0 0.10 0.02) = 0.560% HB ILE 29 - HN CYS 121 2.222% * 0.2581% (0.71 1.0 0.02 0.02) = 0.258% HB2 PRO 116 - HN CYS 121 2.222% * 0.2430% (0.67 1.0 0.02 0.02) = 0.243% HB2 GLU- 10 - HN CYS 121 2.222% * 0.2430% (0.67 1.0 0.02 0.02) = 0.243% HB2 LEU 23 - HN CYS 121 2.222% * 0.2284% (0.63 1.0 0.02 0.02) = 0.228% HB ILE 29 - HN VAL 122 2.222% * 0.1760% (0.49 1.0 0.02 0.45) = 0.176% HB2 GLU- 10 - HN VAL 122 2.222% * 0.1658% (0.46 1.0 0.02 0.02) = 0.166% HB2 PRO 116 - HN VAL 122 2.222% * 0.1658% (0.46 1.0 0.02 0.02) = 0.166% HD3 LYS+ 63 - HN CYS 121 2.222% * 0.1597% (0.44 1.0 0.02 0.02) = 0.160% HB2 LEU 23 - HN VAL 122 2.222% * 0.1558% (0.43 1.0 0.02 0.02) = 0.156% HB2 PRO 112 - HN CYS 121 2.222% * 0.1347% (0.37 1.0 0.02 0.02) = 0.135% HB2 PRO 116 - HN GLU- 75 2.222% * 0.1251% (0.34 1.0 0.02 0.02) = 0.125% HB2 GLU- 10 - HN GLU- 75 2.222% * 0.1251% (0.34 1.0 0.02 0.02) = 0.125% HB3 LYS+ 55 - HN CYS 121 2.222% * 0.1180% (0.33 1.0 0.02 0.02) = 0.118% HB2 LEU 23 - HN GLU- 75 2.222% * 0.1175% (0.32 1.0 0.02 0.02) = 0.118% HD3 LYS+ 63 - HN VAL 122 2.222% * 0.1089% (0.30 1.0 0.02 0.02) = 0.109% HB3 GLN 102 - HN CYS 121 2.222% * 0.1082% (0.30 1.0 0.02 0.02) = 0.108% HG3 PRO 31 - HN CYS 121 2.222% * 0.1082% (0.30 1.0 0.02 0.02) = 0.108% HB2 PRO 112 - HN VAL 122 2.222% * 0.0919% (0.25 1.0 0.02 0.02) = 0.092% HG2 PRO 112 - HN CYS 121 2.222% * 0.0891% (0.25 1.0 0.02 0.02) = 0.089% HD3 LYS+ 63 - HN GLU- 75 2.222% * 0.0822% (0.23 1.0 0.02 0.02) = 0.082% HB3 LYS+ 55 - HN VAL 122 2.222% * 0.0805% (0.22 1.0 0.02 0.02) = 0.081% HB3 GLN 102 - HN VAL 122 2.222% * 0.0738% (0.20 1.0 0.02 0.02) = 0.074% HG3 PRO 31 - HN VAL 122 2.222% * 0.0738% (0.20 1.0 0.02 0.02) = 0.074% HB2 PRO 112 - HN GLU- 75 2.222% * 0.0693% (0.19 1.0 0.02 0.30) = 0.069% HG2 PRO 112 - HN VAL 122 2.222% * 0.0608% (0.17 1.0 0.02 0.02) = 0.061% HB3 LYS+ 55 - HN GLU- 75 2.222% * 0.0608% (0.17 1.0 0.02 0.02) = 0.061% HB2 PRO 35 - HN CYS 121 2.222% * 0.0586% (0.16 1.0 0.02 0.02) = 0.059% HB3 GLN 102 - HN GLU- 75 2.222% * 0.0557% (0.15 1.0 0.02 0.55) = 0.056% HG3 PRO 31 - HN GLU- 75 2.222% * 0.0557% (0.15 1.0 0.02 0.02) = 0.056% HB3 ARG+ 53 - HN CYS 121 2.222% * 0.0521% (0.14 1.0 0.02 0.02) = 0.052% HG3 PRO 116 - HN CYS 121 2.222% * 0.0461% (0.13 1.0 0.02 0.02) = 0.046% HB2 PRO 35 - HN VAL 122 2.222% * 0.0400% (0.11 1.0 0.02 0.02) = 0.040% HB3 ARG+ 53 - HN VAL 122 2.222% * 0.0355% (0.10 1.0 0.02 0.02) = 0.036% HG3 PRO 116 - HN VAL 122 2.222% * 0.0315% (0.09 1.0 0.02 0.02) = 0.031% HB2 PRO 35 - HN GLU- 75 2.222% * 0.0302% (0.08 1.0 0.02 0.02) = 0.030% HB VAL 13 - HN VAL 122 2.222% * 0.0277% (0.08 1.0 0.02 0.02) = 0.028% HB3 ARG+ 53 - HN GLU- 75 2.222% * 0.0268% (0.07 1.0 0.02 0.02) = 0.027% HG3 PRO 116 - HN GLU- 75 2.222% * 0.0237% (0.07 1.0 0.02 0.02) = 0.024% Peak 1302 (8.08, 8.07, 122.75 ppm): 3 diagonal assignments: HN CYS 121 - HN CYS 121 (0.70) kept HN GLU- 75 - HN GLU- 75 (0.37) kept * HN VAL 122 - HN VAL 122 (0.20) kept Peak 1304 (6.73, 8.07, 122.58 ppm): 6 chemical-shift based assignments, quality = 0.637, support = 0.471, residual support = 0.302: * QE TYR 83 - HN GLU- 75 16.667% * 42.4590% (0.76 0.56 0.17) = 42.459% kept HZ3 TRP 51 - HN GLU- 75 16.667% * 32.6688% (0.53 0.61 0.12) = 32.669% kept HZ3 TRP 51 - HN CYS 121 16.667% * 8.1890% (0.59 0.14 0.02) = 8.189% kept QE TYR 83 - HN CYS 121 16.667% * 7.4076% (0.84 0.09 0.02) = 7.408% kept HZ3 TRP 51 - HN VAL 122 16.667% * 5.7489% (0.26 0.22 3.23) = 5.749% kept QE TYR 83 - HN VAL 122 16.667% * 3.5268% (0.38 0.09 0.02) = 3.527% kept Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 1305 (6.88, 6.87, 112.96 ppm): 1 diagonal assignment: HD22 ASN 15 - HD22 ASN 15 (0.11) kept Reference assignment not found: HD22 ASN 89 - HD22 ASN 89 Peak 1306 (2.79, 6.87, 112.96 ppm): 5 chemical-shift based assignments, quality = 0.164, support = 0.337, residual support = 0.862: HB2 ASN 119 - HD22 ASN 15 20.000% * 89.8502% (0.17 0.37 0.95) = 89.850% kept HA2 GLY 58 - HD22 ASN 15 20.000% * 3.3800% (0.12 0.02 0.02) = 3.380% kept HE3 LYS+ 32 - HD22 ASN 15 20.000% * 3.1691% (0.11 0.02 0.02) = 3.169% kept HE3 LYS+ 111 - HD22 ASN 15 20.000% * 2.1480% (0.08 0.02 0.02) = 2.148% kept HB3 ASN 89 - HD22 ASN 15 20.000% * 1.4527% (0.05 0.02 0.44) = 1.453% kept Reference assignment not found: HB3 ASN 89 - HD22 ASN 89 Not enough quality. Peak unassigned. Peak 1307 (2.78, 7.64, 112.96 ppm): 3 chemical-shift based assignments, quality = 0.907, support = 0.531, residual support = 1.54: HB2 ASN 119 - HD21 ASN 89 33.333% * 94.9447% (0.95 0.55 1.62) = 94.945% kept HE3 LYS+ 32 - HD21 ASN 89 33.333% * 4.1529% (0.22 0.10 0.02) = 4.153% kept HA2 GLY 58 - HD21 ASN 89 33.333% * 0.9024% (0.25 0.02 0.02) = 0.902% Reference assignment not found: HB3 ASN 89 - HD21 ASN 89 Peak 1308 (7.88, 8.29, 124.59 ppm): 4 chemical-shift based assignments, quality = 0.875, support = 2.65, residual support = 14.4: * T HN LEU 90 - HN ALA 91 25.000% * 95.3212% (0.88 10.00 2.73 15.11) = 95.321% kept HD22 ASN 89 - HN ALA 91 25.000% * 4.5246% (0.76 1.00 1.10 0.24) = 4.525% kept HN LYS+ 44 - HN ALA 91 25.000% * 0.0825% (0.76 1.00 0.02 0.02) = 0.083% HN THR 38 - HN ALA 91 25.000% * 0.0717% (0.66 1.00 0.02 0.90) = 0.072% Peak 1309 (8.21, 8.21, 121.18 ppm): 2 diagonal assignments: HN VAL 105 - HN VAL 105 (0.76) kept * HN VAL 94 - HN VAL 94 (0.24) kept Peak 1310 (7.81, 8.21, 121.46 ppm): 10 chemical-shift based assignments, quality = 0.726, support = 2.65, residual support = 10.2: * T HN ALA 93 - HN VAL 94 10.000% * 91.2972% (0.78 10.00 2.84 11.08) = 91.297% kept T HN THR 46 - HN VAL 105 10.000% * 4.8938% (0.09 10.00 0.96 0.88) = 4.894% kept T HN ALA 93 - HN VAL 105 10.000% * 1.8797% (0.20 10.00 0.16 0.02) = 1.880% kept HN LYS+ 63 - HN VAL 94 10.000% * 1.3525% (0.28 1.00 0.82 0.45) = 1.352% kept T HN THR 46 - HN VAL 94 10.000% * 0.3968% (0.34 10.00 0.02 0.02) = 0.397% HN LYS+ 55 - HN VAL 94 10.000% * 0.0931% (0.80 1.00 0.02 0.02) = 0.093% HN VAL 87 - HN VAL 94 10.000% * 0.0433% (0.37 1.00 0.02 0.02) = 0.043% HN LYS+ 55 - HN VAL 105 10.000% * 0.0240% (0.21 1.00 0.02 0.02) = 0.024% HN VAL 87 - HN VAL 105 10.000% * 0.0112% (0.10 1.00 0.02 0.02) = 0.011% HN LYS+ 63 - HN VAL 105 10.000% * 0.0085% (0.07 1.00 0.02 0.02) = 0.008% Peak 1311 (4.27, 8.21, 121.46 ppm): 42 chemical-shift based assignments, quality = 0.745, support = 3.83, residual support = 50.3: * O HA VAL 94 - HN VAL 94 2.381% * 94.4204% (0.78 10.0 4.02 53.31) = 94.420% kept HA LEU 90 - HN VAL 94 2.381% * 1.7763% (0.54 1.0 0.54 0.02) = 1.776% kept HB3 SER 49 - HN VAL 94 2.381% * 1.6328% (0.19 1.0 1.38 0.02) = 1.633% kept HA GLU- 56 - HN VAL 94 2.381% * 0.6561% (0.89 1.0 0.12 1.53) = 0.656% HA GLU- 64 - HN VAL 94 2.381% * 0.1067% (0.88 1.0 0.02 0.02) = 0.107% HA GLU- 75 - HN VAL 94 2.381% * 0.1050% (0.86 1.0 0.02 0.02) = 0.105% HA SER 85 - HN VAL 94 2.381% * 0.0976% (0.80 1.0 0.02 0.02) = 0.098% HA ARG+ 84 - HN VAL 94 2.381% * 0.0976% (0.80 1.0 0.02 0.02) = 0.098% HA PRO 52 - HN VAL 94 2.381% * 0.0976% (0.80 1.0 0.02 0.02) = 0.098% HB3 SER 49 - HN VAL 105 2.381% * 0.0830% (0.05 1.0 0.27 0.02) = 0.083% HA GLU- 107 - HN VAL 94 2.381% * 0.0790% (0.65 1.0 0.02 0.02) = 0.079% HA ASN 119 - HN VAL 94 2.381% * 0.0790% (0.65 1.0 0.02 0.02) = 0.079% HA VAL 122 - HN VAL 94 2.381% * 0.0748% (0.61 1.0 0.02 0.02) = 0.075% HA ASN 76 - HN VAL 94 2.381% * 0.0748% (0.61 1.0 0.02 0.02) = 0.075% HA ALA 11 - HN VAL 94 2.381% * 0.0660% (0.54 1.0 0.02 0.02) = 0.066% HB3 CYS 121 - HN VAL 94 2.381% * 0.0447% (0.37 1.0 0.02 0.02) = 0.045% HA PRO 59 - HN VAL 94 2.381% * 0.0409% (0.34 1.0 0.02 0.02) = 0.041% HA THR 106 - HN VAL 94 2.381% * 0.0336% (0.28 1.0 0.02 0.02) = 0.034% HA CYS 121 - HN VAL 94 2.381% * 0.0303% (0.25 1.0 0.02 0.02) = 0.030% HA GLU- 56 - HN VAL 105 2.381% * 0.0278% (0.23 1.0 0.02 0.02) = 0.028% HA GLU- 64 - HN VAL 105 2.381% * 0.0273% (0.22 1.0 0.02 0.02) = 0.027% HA GLU- 75 - HN VAL 105 2.381% * 0.0269% (0.22 1.0 0.02 0.02) = 0.027% HA SER 85 - HN VAL 105 2.381% * 0.0250% (0.21 1.0 0.02 0.02) = 0.025% HA PRO 52 - HN VAL 105 2.381% * 0.0250% (0.21 1.0 0.02 0.02) = 0.025% HA ARG+ 84 - HN VAL 105 2.381% * 0.0250% (0.21 1.0 0.02 0.02) = 0.025% HA VAL 94 - HN VAL 105 2.381% * 0.0242% (0.20 1.0 0.02 0.02) = 0.024% HA GLU- 107 - HN VAL 105 2.381% * 0.0202% (0.17 1.0 0.02 0.11) = 0.020% HA ASN 119 - HN VAL 105 2.381% * 0.0202% (0.17 1.0 0.02 0.02) = 0.020% HA ASN 76 - HN VAL 105 2.381% * 0.0191% (0.16 1.0 0.02 0.02) = 0.019% HA VAL 122 - HN VAL 105 2.381% * 0.0191% (0.16 1.0 0.02 0.02) = 0.019% HA LYS+ 108 - HN VAL 94 2.381% * 0.0191% (0.16 1.0 0.02 0.02) = 0.019% HA GLU- 10 - HN VAL 94 2.381% * 0.0191% (0.16 1.0 0.02 0.02) = 0.019% HA GLU- 54 - HN VAL 94 2.381% * 0.0191% (0.16 1.0 0.02 0.02) = 0.019% HA LEU 90 - HN VAL 105 2.381% * 0.0169% (0.14 1.0 0.02 0.02) = 0.017% HA ALA 11 - HN VAL 105 2.381% * 0.0169% (0.14 1.0 0.02 0.02) = 0.017% HB3 CYS 121 - HN VAL 105 2.381% * 0.0115% (0.09 1.0 0.02 0.02) = 0.011% HA PRO 59 - HN VAL 105 2.381% * 0.0105% (0.09 1.0 0.02 0.02) = 0.010% HA THR 106 - HN VAL 105 2.381% * 0.0086% (0.07 1.0 0.02 4.01) = 0.009% HA CYS 121 - HN VAL 105 2.381% * 0.0077% (0.06 1.0 0.02 0.02) = 0.008% HA GLU- 54 - HN VAL 105 2.381% * 0.0049% (0.04 1.0 0.02 0.02) = 0.005% HA GLU- 10 - HN VAL 105 2.381% * 0.0049% (0.04 1.0 0.02 0.02) = 0.005% HA LYS+ 108 - HN VAL 105 2.381% * 0.0049% (0.04 1.0 0.02 0.02) = 0.005% Peak 1312 (0.67, 8.21, 121.46 ppm): 14 chemical-shift based assignments, quality = 0.413, support = 2.5, residual support = 29.4: * QG2 VAL 94 - HN VAL 94 7.143% * 55.0317% (0.37 3.96 53.31) = 55.032% kept HG12 ILE 19 - HN VAL 94 7.143% * 14.8299% (0.40 0.98 0.38) = 14.830% kept QD1 ILE 19 - HN VAL 94 7.143% * 12.7602% (0.31 1.11 0.38) = 12.760% kept QG1 VAL 62 - HN VAL 94 7.143% * 9.8059% (0.83 0.31 0.02) = 9.806% kept QG2 ILE 48 - HN VAL 94 7.143% * 2.6784% (0.85 0.08 0.02) = 2.678% kept QG2 ILE 48 - HN VAL 105 7.143% * 2.1338% (0.22 0.26 0.02) = 2.134% kept QG2 ILE 68 - HN VAL 94 7.143% * 1.1726% (0.37 0.08 0.02) = 1.173% kept QG2 VAL 94 - HN VAL 105 7.143% * 0.8884% (0.09 0.25 0.02) = 0.888% QG2 ILE 101 - HN VAL 94 7.143% * 0.2638% (0.35 0.02 0.02) = 0.264% QG1 VAL 62 - HN VAL 105 7.143% * 0.1599% (0.21 0.02 0.02) = 0.160% HG12 ILE 19 - HN VAL 105 7.143% * 0.0776% (0.10 0.02 0.02) = 0.078% QG2 ILE 68 - HN VAL 105 7.143% * 0.0712% (0.09 0.02 0.60) = 0.071% QG2 ILE 101 - HN VAL 105 7.143% * 0.0675% (0.09 0.02 0.02) = 0.068% QD1 ILE 19 - HN VAL 105 7.143% * 0.0591% (0.08 0.02 0.02) = 0.059% Peak 1313 (0.83, 8.78, 126.61 ppm): 8 chemical-shift based assignments, quality = 0.751, support = 4.13, residual support = 18.1: * QG1 VAL 94 - HN THR 95 12.500% * 80.3140% (0.80 4.93 22.36) = 80.314% kept QD2 LEU 17 - HN THR 95 12.500% * 13.8838% (0.56 1.20 1.09) = 13.884% kept QG2 VAL 13 - HN THR 95 12.500% * 4.0700% (0.80 0.25 0.02) = 4.070% kept HG2 LYS+ 117 - HN THR 95 12.500% * 0.3990% (0.98 0.02 0.02) = 0.399% QD1 ILE 29 - HN THR 95 12.500% * 0.3990% (0.98 0.02 0.02) = 0.399% QG1 VAL 13 - HN THR 95 12.500% * 0.3990% (0.98 0.02 0.02) = 0.399% QD2 LEU 67 - HN THR 95 12.500% * 0.3526% (0.22 0.08 0.28) = 0.353% QD2 LEU 90 - HN THR 95 12.500% * 0.1825% (0.45 0.02 0.02) = 0.183% Peak 1315 (8.44, 8.43, 123.73 ppm): 2 diagonal assignments: * HN ARG+ 53 - HN ARG+ 53 (0.76) kept HN CYS 123 - HN CYS 123 (0.72) kept Peak 1316 (1.76, 8.74, 124.39 ppm): 11 chemical-shift based assignments, quality = 0.708, support = 0.394, residual support = 0.0443: HB3 GLU- 18 - HN GLU- 56 9.091% * 22.6456% (0.61 0.58 0.02) = 22.646% kept HD3 PRO 59 - HN GLU- 56 9.091% * 21.9981% (0.99 0.35 0.02) = 21.998% kept HB2 LEU 17 - HN GLU- 56 9.091% * 19.5975% (0.92 0.33 0.02) = 19.597% kept HB3 LEU 23 - HN GLU- 56 9.091% * 14.0063% (0.65 0.34 0.02) = 14.006% kept HG2 ARG+ 84 - HN GLU- 56 9.091% * 11.5177% (0.57 0.32 0.02) = 11.518% kept HG3 LYS+ 63 - HN GLU- 56 9.091% * 7.3569% (0.22 0.51 0.36) = 7.357% kept HB2 LYS+ 117 - HN GLU- 56 9.091% * 0.8830% (0.69 0.02 0.02) = 0.883% HB2 ARG+ 84 - HN GLU- 56 9.091% * 0.6763% (0.53 0.02 0.02) = 0.676% HB ILE 48 - HN GLU- 56 9.091% * 0.6257% (0.49 0.02 0.02) = 0.626% HG3 ARG+ 53 - HN GLU- 56 9.091% * 0.4385% (0.34 0.02 0.02) = 0.438% HG2 PRO 31 - HN GLU- 56 9.091% * 0.2544% (0.20 0.02 0.02) = 0.254% Reference assignment not found: HB3 LYS+ 55 - HN GLU- 56 Not enough total support, support cutoff is 0.54 Peak unassigned. Peak 1317 (1.43, 7.81, 122.18 ppm): 13 chemical-shift based assignments, quality = 0.937, support = 2.34, residual support = 9.01: * HG3 LYS+ 55 - HN LYS+ 55 7.692% * 60.9230% (0.96 3.22 14.29) = 60.923% kept HG3 LYS+ 113 - HN LYS+ 55 7.692% * 25.2711% (0.99 1.30 0.89) = 25.271% kept HD3 LYS+ 113 - HN LYS+ 55 7.692% * 8.4709% (0.94 0.46 0.89) = 8.471% kept HG2 PRO 59 - HN LYS+ 55 7.692% * 2.0913% (0.41 0.26 0.02) = 2.091% kept HG3 ARG+ 22 - HN LYS+ 55 7.692% * 1.5144% (0.96 0.08 0.02) = 1.514% kept HG LEU 90 - HN LYS+ 55 7.692% * 0.3782% (0.96 0.02 0.02) = 0.378% QG2 THR 38 - HN LYS+ 55 7.692% * 0.3399% (0.86 0.02 0.02) = 0.340% QB ALA 91 - HN LYS+ 55 7.692% * 0.3138% (0.80 0.02 0.02) = 0.314% HD3 LYS+ 44 - HN LYS+ 55 7.692% * 0.2692% (0.68 0.02 0.02) = 0.269% HG3 LYS+ 60 - HN LYS+ 55 7.692% * 0.1611% (0.41 0.02 0.02) = 0.161% QB ALA 37 - HN LYS+ 55 7.692% * 0.1090% (0.28 0.02 0.02) = 0.109% HG13 ILE 48 - HN LYS+ 55 7.692% * 0.0977% (0.25 0.02 0.02) = 0.098% HG LEU 67 - HN LYS+ 55 7.692% * 0.0605% (0.15 0.02 0.02) = 0.060% Peak 1318 (1.87, 7.21, 124.79 ppm): 14 chemical-shift based assignments, quality = 0.893, support = 3.2, residual support = 14.8: HD3 PRO 52 - HN TRP 51 7.143% * 87.5495% (0.99 3.60 16.86) = 87.549% kept HB3 GLN 16 - HN TRP 51 7.143% * 4.9431% (0.41 0.49 0.30) = 4.943% kept HB3 ARG+ 53 - HN TRP 51 7.143% * 2.5565% (0.13 0.77 0.02) = 2.557% kept HG2 GLU- 18 - HN TRP 51 7.143% * 1.3466% (0.41 0.13 0.02) = 1.347% kept HB2 PRO 112 - HN TRP 51 7.143% * 0.6417% (0.18 0.14 0.43) = 0.642% HG2 PRO 112 - HN TRP 51 7.143% * 0.6411% (0.21 0.12 0.43) = 0.641% HB3 ARG+ 84 - HN TRP 51 7.143% * 0.4891% (0.99 0.02 1.04) = 0.489% HG3 LYS+ 120 - HN TRP 51 7.143% * 0.4252% (0.86 0.02 0.02) = 0.425% HD2 PRO 59 - HN TRP 51 7.143% * 0.3560% (0.72 0.02 1.63) = 0.356% HB VAL 94 - HN TRP 51 7.143% * 0.3367% (0.68 0.02 0.02) = 0.337% HB2 PRO 104 - HN TRP 51 7.143% * 0.2198% (0.45 0.02 0.02) = 0.220% HB3 LYS+ 72 - HN TRP 51 7.143% * 0.2015% (0.41 0.02 0.02) = 0.202% HB3 LYS+ 60 - HN TRP 51 7.143% * 0.1840% (0.37 0.02 0.02) = 0.184% HB3 CYS 123 - HN TRP 51 7.143% * 0.1091% (0.22 0.02 0.02) = 0.109% Peak 1319 (1.71, 7.21, 124.79 ppm): 4 chemical-shift based assignments, quality = 0.56, support = 3.61, residual support = 11.9: HG2 PRO 52 - HN TRP 51 25.000% * 70.2297% (0.45 4.73 16.86) = 70.230% kept HB2 GLN 16 - HN TRP 51 25.000% * 28.5796% (0.86 0.99 0.30) = 28.580% kept HD3 LYS+ 55 - HN TRP 51 25.000% * 0.9863% (0.22 0.13 0.24) = 0.986% HG13 ILE 19 - HN TRP 51 25.000% * 0.2045% (0.31 0.02 0.48) = 0.204% Reference assignment not found: HB3 GLU- 50 - HN TRP 51 Peak 1320 (0.80, 7.21, 124.79 ppm): 5 chemical-shift based assignments, quality = 0.831, support = 1.69, residual support = 1.05: QD1 ILE 100 - HN TRP 51 20.000% * 73.0193% (0.99 1.93 1.40) = 73.019% kept QD2 LEU 17 - HN TRP 51 20.000% * 18.2450% (0.34 1.40 0.16) = 18.245% kept QD2 LEU 67 - HN TRP 51 20.000% * 6.3168% (0.72 0.23 0.02) = 6.317% kept QG1 VAL 94 - HN TRP 51 20.000% * 2.0767% (0.17 0.31 0.02) = 2.077% kept QD2 LEU 90 - HN TRP 51 20.000% * 0.3422% (0.45 0.02 0.02) = 0.342% Peak 1321 (3.27, 9.28, 130.07 ppm): 4 chemical-shift based assignments, quality = 0.459, support = 5.57, residual support = 39.3: * HD3 ARG+ 22 - HN LEU 23 25.000% * 97.2010% (0.47 5.73 40.43) = 97.201% kept HD2 PRO 52 - HN LEU 23 25.000% * 1.7652% (0.39 0.12 1.63) = 1.765% kept HD3 ARG+ 53 - HN LEU 23 25.000% * 0.5826% (0.80 0.02 0.20) = 0.583% HE3 LYS+ 63 - HN LEU 23 25.000% * 0.4512% (0.62 0.02 0.02) = 0.451% Peak 1322 (1.21, 8.94, 125.29 ppm): 3 chemical-shift based assignments, quality = 0.929, support = 4.35, residual support = 92.3: * O HB3 ARG+ 22 - HN ARG+ 22 33.333% * 96.2848% (0.94 10.0 4.48 95.87) = 96.285% kept HG12 ILE 100 - HN ARG+ 22 33.333% * 3.6172% (0.73 1.0 0.96 0.02) = 3.617% kept HB2 LEU 67 - HN ARG+ 22 33.333% * 0.0980% (0.95 1.0 0.02 0.32) = 0.098% Peak 1323 (2.17, 8.94, 125.29 ppm): 10 chemical-shift based assignments, quality = 0.676, support = 1.15, residual support = 3.55: * HB VAL 99 - HN ARG+ 22 10.000% * 32.8112% (0.50 2.02 9.56) = 32.811% kept HB2 ASP- 82 - HN ARG+ 22 10.000% * 24.1940% (0.73 1.03 1.60) = 24.194% kept HG2 GLN 102 - HN ARG+ 22 10.000% * 19.3418% (0.77 0.78 0.11) = 19.342% kept HG2 PRO 104 - HN ARG+ 22 10.000% * 15.3265% (0.95 0.50 0.02) = 15.327% kept HB VAL 47 - HN ARG+ 22 10.000% * 3.8209% (0.62 0.19 0.02) = 3.821% kept HB3 PRO 104 - HN ARG+ 22 10.000% * 3.2410% (0.54 0.19 0.02) = 3.241% kept HG2 PRO 112 - HN ARG+ 22 10.000% * 0.5934% (0.92 0.02 0.02) = 0.593% HB3 LYS+ 78 - HN ARG+ 22 10.000% * 0.3001% (0.47 0.02 0.02) = 0.300% HB3 GLU- 75 - HN ARG+ 22 10.000% * 0.2876% (0.45 0.02 0.02) = 0.288% HG2 MET 126 - HN ARG+ 22 10.000% * 0.0834% (0.13 0.02 0.02) = 0.083% Peak 1324 (2.74, 8.94, 125.29 ppm): 2 chemical-shift based assignments, quality = 0.646, support = 2.76, residual support = 7.83: * HB3 PHE 21 - HN ARG+ 22 50.000% * 73.3406% (0.58 3.44 10.51) = 73.341% kept HB3 ASP- 115 - HN ARG+ 22 50.000% * 26.6594% (0.83 0.88 0.46) = 26.659% kept Peak 1325 (2.92, 8.94, 125.29 ppm): 5 chemical-shift based assignments, quality = 0.894, support = 2.46, residual support = 6.73: HB2 HIS+ 98 - HN ARG+ 22 20.000% * 77.4448% (0.92 3.06 8.68) = 77.445% kept HE3 LYS+ 81 - HN ARG+ 22 20.000% * 10.8083% (0.77 0.51 0.02) = 10.808% kept HE3 LYS+ 60 - HN ARG+ 22 20.000% * 7.5731% (0.83 0.33 0.02) = 7.573% kept HB2 CYS 121 - HN ARG+ 22 20.000% * 3.7928% (0.90 0.15 0.02) = 3.793% kept HB3 ASN 57 - HN ARG+ 22 20.000% * 0.3809% (0.69 0.02 1.50) = 0.381% Reference assignment not found: HB2 PHE 21 - HN ARG+ 22 Peak 1326 (1.65, 8.94, 125.29 ppm): 13 chemical-shift based assignments, quality = 0.753, support = 4.2, residual support = 69.2: * HG2 ARG+ 22 - HN ARG+ 22 7.692% * 64.1351% (0.94 5.33 95.87) = 64.135% kept HG LEU 23 - HN ARG+ 22 7.692% * 18.4711% (0.43 3.36 40.43) = 18.471% kept HG12 ILE 101 - HN ARG+ 22 7.692% * 6.6053% (0.36 1.43 3.69) = 6.605% kept HB ILE 100 - HN ARG+ 22 7.692% * 6.1167% (0.50 0.95 0.02) = 6.117% kept HB3 MET 97 - HN ARG+ 22 7.692% * 1.6806% (0.39 0.33 0.98) = 1.681% kept HG3 ARG+ 84 - HN ARG+ 22 7.692% * 1.1989% (0.73 0.13 0.02) = 1.199% kept HB ILE 68 - HN ARG+ 22 7.692% * 1.0608% (0.33 0.25 0.02) = 1.061% kept HB VAL 122 - HN ARG+ 22 7.692% * 0.3327% (0.33 0.08 0.02) = 0.333% HB3 LYS+ 66 - HN ARG+ 22 7.692% * 0.1389% (0.54 0.02 0.02) = 0.139% HG LEU 43 - HN ARG+ 22 7.692% * 0.0837% (0.33 0.02 0.02) = 0.084% HB3 MET 126 - HN ARG+ 22 7.692% * 0.0837% (0.33 0.02 0.02) = 0.084% HB3 LYS+ 81 - HN ARG+ 22 7.692% * 0.0546% (0.21 0.02 0.02) = 0.055% HG3 LYS+ 78 - HN ARG+ 22 7.692% * 0.0379% (0.15 0.02 0.02) = 0.038% Peak 1327 (1.35, 9.28, 130.07 ppm): 6 chemical-shift based assignments, quality = 0.365, support = 5.59, residual support = 32.0: HB2 ARG+ 22 - HN LEU 23 16.667% * 79.0349% (0.33 6.92 40.43) = 79.035% kept HB3 LYS+ 20 - HN LEU 23 16.667% * 12.7318% (0.47 0.78 0.25) = 12.732% kept HB3 LEU 17 - HN LEU 23 16.667% * 7.2641% (0.66 0.32 0.13) = 7.264% kept HG3 LYS+ 81 - HN LEU 23 16.667% * 0.5364% (0.77 0.02 0.29) = 0.536% QB ALA 11 - HN LEU 23 16.667% * 0.3003% (0.43 0.02 0.02) = 0.300% HG2 LYS+ 78 - HN LEU 23 16.667% * 0.1326% (0.19 0.02 0.02) = 0.133% Peak 1328 (1.39, 9.28, 130.07 ppm): 11 chemical-shift based assignments, quality = 0.746, support = 1.03, residual support = 1.23: HG13 ILE 100 - HN LEU 23 9.091% * 33.1629% (0.69 1.64 3.44) = 33.163% kept HD3 LYS+ 20 - HN LEU 23 9.091% * 27.0733% (0.94 0.99 0.25) = 27.073% kept HG13 ILE 68 - HN LEU 23 9.091% * 14.3629% (0.83 0.60 0.02) = 14.363% kept HG LEU 67 - HN LEU 23 9.091% * 10.3740% (0.66 0.54 0.02) = 10.374% kept QB ALA 93 - HN LEU 23 9.091% * 9.5982% (0.69 0.48 0.02) = 9.598% kept HB3 LYS+ 20 - HN LEU 23 9.091% * 4.2961% (0.19 0.78 0.25) = 4.296% kept QG2 THR 39 - HN LEU 23 9.091% * 0.3819% (0.66 0.02 0.02) = 0.382% HG2 LYS+ 78 - HN LEU 23 9.091% * 0.2706% (0.47 0.02 0.02) = 0.271% QB ALA 37 - HN LEU 23 9.091% * 0.2706% (0.47 0.02 0.02) = 0.271% QB ALA 11 - HN LEU 23 9.091% * 0.1238% (0.21 0.02 0.02) = 0.124% HD3 LYS+ 44 - HN LEU 23 9.091% * 0.0858% (0.15 0.02 0.02) = 0.086% Peak 1329 (1.65, 9.28, 130.07 ppm): 13 chemical-shift based assignments, quality = 0.728, support = 5.55, residual support = 56.5: * HG2 ARG+ 22 - HN LEU 23 7.692% * 57.8877% (0.93 6.44 40.43) = 57.888% kept HG LEU 23 - HN LEU 23 7.692% * 27.3155% (0.46 6.18 120.22) = 27.315% kept HB ILE 100 - HN LEU 23 7.692% * 6.0253% (0.46 1.36 3.44) = 6.025% kept HG12 ILE 101 - HN LEU 23 7.692% * 3.8064% (0.39 1.02 0.51) = 3.806% kept HG3 ARG+ 84 - HN LEU 23 7.692% * 2.4558% (0.68 0.37 0.02) = 2.456% kept HB ILE 68 - HN LEU 23 7.692% * 1.1627% (0.35 0.34 0.02) = 1.163% kept HB VAL 122 - HN LEU 23 7.692% * 0.9911% (0.35 0.29 0.02) = 0.991% HB3 LYS+ 66 - HN LEU 23 7.692% * 0.0955% (0.49 0.02 0.02) = 0.095% HG LEU 43 - HN LEU 23 7.692% * 0.0681% (0.35 0.02 0.02) = 0.068% HB3 MET 97 - HN LEU 23 7.692% * 0.0681% (0.35 0.02 0.02) = 0.068% HB3 MET 126 - HN LEU 23 7.692% * 0.0560% (0.29 0.02 0.02) = 0.056% HB3 LYS+ 81 - HN LEU 23 7.692% * 0.0359% (0.19 0.02 0.29) = 0.036% HG3 LYS+ 78 - HN LEU 23 7.692% * 0.0318% (0.16 0.02 0.02) = 0.032% Peak 1330 (1.61, 9.07, 116.60 ppm): 10 chemical-shift based assignments, quality = 0.917, support = 3.9, residual support = 6.8: * HB3 PRO 52 - HN GLU- 54 10.000% * 79.1673% (0.98 4.74 8.58) = 79.167% kept HD3 LYS+ 32 - HN GLU- 54 10.000% * 10.9830% (0.93 0.69 0.02) = 10.983% kept HB3 LYS+ 32 - HN GLU- 54 10.000% * 7.0852% (0.48 0.87 0.02) = 7.085% kept HB VAL 122 - HN GLU- 54 10.000% * 1.6419% (0.44 0.22 0.02) = 1.642% kept HG2 LYS+ 110 - HN GLU- 54 10.000% * 0.3280% (0.96 0.02 0.02) = 0.328% HG3 LYS+ 78 - HN GLU- 54 10.000% * 0.2430% (0.71 0.02 0.02) = 0.243% HG LEU 43 - HN GLU- 54 10.000% * 0.1500% (0.44 0.02 0.02) = 0.150% HB ILE 68 - HN GLU- 54 10.000% * 0.1500% (0.44 0.02 0.02) = 0.150% HG12 ILE 101 - HN GLU- 54 10.000% * 0.1376% (0.40 0.02 0.02) = 0.138% HG LEU 23 - HN GLU- 54 10.000% * 0.1141% (0.33 0.02 0.02) = 0.114% Peak 1331 (2.58, 8.88, 126.48 ppm): 4 chemical-shift based assignments, quality = 0.972, support = 4.4, residual support = 15.5: * O HB3 PRO 35 - HN ASP- 36 25.000% * 96.4115% (1.00 10.0 4.51 16.09) = 96.411% kept HB2 PHE 34 - HN ASP- 36 25.000% * 2.3427% (0.31 1.0 1.57 0.02) = 2.343% kept HG2 PRO 112 - HN ASP- 36 25.000% * 1.2062% (0.19 1.0 1.32 1.46) = 1.206% kept HG2 MET 118 - HN ASP- 36 25.000% * 0.0396% (0.41 1.0 0.02 0.02) = 0.040% Peak 1332 (1.38, 8.17, 119.35 ppm): 12 chemical-shift based assignments, quality = 0.398, support = 4.03, residual support = 15.6: HB3 LEU 17 - HN GLN 16 8.333% * 83.1121% (0.34 4.83 18.76) = 83.112% kept QG2 THR 39 - HN GLN 16 8.333% * 10.2056% (0.96 0.21 0.02) = 10.206% kept HB3 LYS+ 20 - HN GLN 16 8.333% * 2.1123% (0.52 0.08 0.02) = 2.112% kept HG13 ILE 68 - HN GLN 16 8.333% * 1.0006% (0.98 0.02 0.02) = 1.001% kept HG2 LYS+ 78 - HN GLN 16 8.333% * 0.8757% (0.85 0.02 0.02) = 0.876% HD3 LYS+ 20 - HN GLN 16 8.333% * 0.6934% (0.68 0.02 0.02) = 0.693% QB ALA 11 - HN GLN 16 8.333% * 0.5715% (0.56 0.02 0.02) = 0.572% HG13 ILE 100 - HN GLN 16 8.333% * 0.3443% (0.34 0.02 0.02) = 0.344% QB ALA 93 - HN GLN 16 8.333% * 0.3443% (0.34 0.02 0.02) = 0.344% HG LEU 67 - HN GLN 16 8.333% * 0.3116% (0.30 0.02 0.02) = 0.312% HG3 LYS+ 81 - HN GLN 16 8.333% * 0.2517% (0.25 0.02 0.02) = 0.252% QB ALA 37 - HN GLN 16 8.333% * 0.1768% (0.17 0.02 0.02) = 0.177% Peak 1333 (0.94, 8.17, 119.35 ppm): 10 chemical-shift based assignments, quality = 0.811, support = 3.06, residual support = 15.4: QD1 LEU 17 - HN GLN 16 10.000% * 82.3275% (0.82 3.63 18.76) = 82.328% kept QG2 ILE 29 - HN GLN 16 10.000% * 13.4614% (0.93 0.52 0.02) = 13.461% kept QG2 VAL 99 - HN GLN 16 10.000% * 1.5282% (0.60 0.09 0.02) = 1.528% kept QG2 VAL 62 - HN GLN 16 10.000% * 0.5412% (0.98 0.02 0.02) = 0.541% QG2 VAL 73 - HN GLN 16 10.000% * 0.5234% (0.95 0.02 0.02) = 0.523% QG1 VAL 105 - HN GLN 16 10.000% * 0.4705% (0.85 0.02 0.02) = 0.470% QG2 VAL 105 - HN GLN 16 10.000% * 0.4343% (0.79 0.02 0.02) = 0.434% HG12 ILE 68 - HN GLN 16 10.000% * 0.2854% (0.52 0.02 0.02) = 0.285% HG3 LYS+ 110 - HN GLN 16 10.000% * 0.2432% (0.44 0.02 0.02) = 0.243% QG2 VAL 80 - HN GLN 16 10.000% * 0.1850% (0.34 0.02 0.02) = 0.185% Peak 1335 (1.17, 7.97, 120.59 ppm): 5 chemical-shift based assignments, quality = 0.878, support = 6.31, residual support = 177.4: * O HB2 LEU 43 - HN LEU 43 20.000% * 98.5758% (0.88 10.0 6.39 179.96) = 98.576% kept HB2 LEU 74 - HN LEU 43 20.000% * 1.1996% (0.67 1.0 0.32 1.31) = 1.200% kept QG2 THR 106 - HN LEU 43 20.000% * 0.0966% (0.87 1.0 0.02 0.02) = 0.097% HG3 PRO 59 - HN LEU 43 20.000% * 0.0910% (0.81 1.0 0.02 0.02) = 0.091% QB ALA 33 - HN LEU 43 20.000% * 0.0370% (0.33 1.0 0.02 0.02) = 0.037% Peak 1336 (0.89, 7.97, 120.59 ppm): 9 chemical-shift based assignments, quality = 0.738, support = 1.12, residual support = 3.1: QG1 VAL 80 - HN LEU 43 11.111% * 23.8874% (0.88 1.10 4.17) = 23.887% kept QD1 LEU 67 - HN LEU 43 11.111% * 23.8326% (0.64 1.50 3.85) = 23.833% kept QG2 VAL 40 - HN LEU 43 11.111% * 22.7190% (0.77 1.20 4.76) = 22.719% kept QG1 VAL 47 - HN LEU 43 11.111% * 17.4218% (0.71 1.00 0.53) = 17.422% kept QG2 VAL 125 - HN LEU 43 11.111% * 8.5955% (0.71 0.49 0.14) = 8.595% kept HG3 LYS+ 117 - HN LEU 43 11.111% * 2.9819% (0.57 0.21 0.02) = 2.982% kept QG2 VAL 87 - HN LEU 43 11.111% * 0.3784% (0.77 0.02 0.02) = 0.378% QG2 ILE 100 - HN LEU 43 11.111% * 0.0971% (0.20 0.02 0.02) = 0.097% QD1 LEU 90 - HN LEU 43 11.111% * 0.0863% (0.17 0.02 0.02) = 0.086% Peak 1337 (0.76, 7.97, 120.59 ppm): 3 chemical-shift based assignments, quality = 0.229, support = 4.35, residual support = 21.9: HG3 LYS+ 44 - HN LEU 43 33.333% * 77.4012% (0.22 5.28 27.85) = 77.401% kept QG2 ILE 48 - HN LEU 43 33.333% * 21.2370% (0.26 1.22 1.60) = 21.237% kept HG3 LYS+ 66 - HN LEU 43 33.333% * 1.3618% (0.22 0.09 0.02) = 1.362% kept Peak 1338 (1.98, 7.79, 116.60 ppm): 15 chemical-shift based assignments, quality = 0.993, support = 3.63, residual support = 20.2: * O HB2 PRO 86 - HN VAL 87 6.667% * 99.3978% (1.00 10.0 3.65 20.31) = 99.398% kept HB3 GLU- 56 - HN VAL 87 6.667% * 0.0940% (0.94 1.0 0.02 0.02) = 0.094% HB2 LYS+ 108 - HN VAL 87 6.667% * 0.0940% (0.94 1.0 0.02 0.02) = 0.094% HG3 PRO 104 - HN VAL 87 6.667% * 0.0862% (0.87 1.0 0.02 0.02) = 0.086% HB VAL 73 - HN VAL 87 6.667% * 0.0796% (0.80 1.0 0.02 0.02) = 0.080% HG2 PRO 112 - HN VAL 87 6.667% * 0.0480% (0.48 1.0 0.02 0.02) = 0.048% HB3 GLU- 109 - HN VAL 87 6.667% * 0.0373% (0.37 1.0 0.02 0.02) = 0.037% HB VAL 13 - HN VAL 87 6.667% * 0.0276% (0.28 1.0 0.02 0.02) = 0.028% HG3 PRO 116 - HN VAL 87 6.667% * 0.0248% (0.25 1.0 0.02 0.02) = 0.025% HB2 HIS+ 14 - HN VAL 87 6.667% * 0.0221% (0.22 1.0 0.02 0.02) = 0.022% HB3 MET 118 - HN VAL 87 6.667% * 0.0221% (0.22 1.0 0.02 0.02) = 0.022% HB2 PRO 35 - HN VAL 87 6.667% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% HG3 PRO 112 - HN VAL 87 6.667% * 0.0174% (0.17 1.0 0.02 0.02) = 0.017% HB2 GLU- 18 - HN VAL 87 6.667% * 0.0153% (0.15 1.0 0.02 0.02) = 0.015% HB3 GLU- 75 - HN VAL 87 6.667% * 0.0139% (0.14 1.0 0.02 0.02) = 0.014% Peak 1339 (4.78, 7.79, 116.60 ppm): 2 chemical-shift based assignments, quality = 0.867, support = 0.946, residual support = 1.23: HA ASN 15 - HN VAL 87 50.000% * 80.8648% (1.00 0.99 1.41) = 80.865% kept HA LEU 23 - HN VAL 87 50.000% * 19.1352% (0.31 0.76 0.45) = 19.135% kept Peak 1340 (1.77, 7.32, 121.07 ppm): 12 chemical-shift based assignments, quality = 0.945, support = 4.72, residual support = 77.8: * O HB2 ARG+ 84 - HN ARG+ 84 8.333% * 78.6964% (0.94 10.0 4.62 78.16) = 78.696% kept HG2 ARG+ 84 - HN ARG+ 84 8.333% * 20.8761% (0.96 1.0 5.20 78.16) = 20.876% kept HB3 GLU- 18 - HN ARG+ 84 8.333% * 0.0815% (0.98 1.0 0.02 3.05) = 0.082% HG3 ARG+ 53 - HN ARG+ 84 8.333% * 0.0666% (0.80 1.0 0.02 0.02) = 0.067% HG3 LYS+ 63 - HN ARG+ 84 8.333% * 0.0538% (0.65 1.0 0.02 0.02) = 0.054% HD3 PRO 59 - HN ARG+ 84 8.333% * 0.0538% (0.65 1.0 0.02 0.02) = 0.054% HG2 PRO 31 - HN ARG+ 84 8.333% * 0.0505% (0.61 1.0 0.02 0.02) = 0.050% HB2 LEU 17 - HN ARG+ 84 8.333% * 0.0405% (0.49 1.0 0.02 1.76) = 0.040% HB3 LYS+ 108 - HN ARG+ 84 8.333% * 0.0207% (0.25 1.0 0.02 0.02) = 0.021% HB3 LYS+ 63 - HN ARG+ 84 8.333% * 0.0207% (0.25 1.0 0.02 0.02) = 0.021% HB2 LYS+ 117 - HN ARG+ 84 8.333% * 0.0207% (0.25 1.0 0.02 0.02) = 0.021% HB3 LEU 23 - HN ARG+ 84 8.333% * 0.0185% (0.22 1.0 0.02 0.02) = 0.019% Peak 1341 (1.86, 7.32, 121.07 ppm): 11 chemical-shift based assignments, quality = 0.68, support = 4.39, residual support = 77.4: * O HB3 ARG+ 84 - HN ARG+ 84 9.091% * 99.0581% (0.69 10.0 4.43 78.16) = 99.058% kept HD2 PRO 59 - HN ARG+ 84 9.091% * 0.1442% (1.00 1.0 0.02 0.02) = 0.144% HB VAL 94 - HN ARG+ 84 9.091% * 0.1439% (1.00 1.0 0.02 0.02) = 0.144% HB2 PRO 104 - HN ARG+ 84 9.091% * 0.1293% (0.90 1.0 0.02 0.02) = 0.129% HB3 LYS+ 72 - HN ARG+ 84 9.091% * 0.1251% (0.87 1.0 0.02 0.02) = 0.125% HB3 LYS+ 60 - HN ARG+ 84 9.091% * 0.1205% (0.83 1.0 0.02 0.02) = 0.120% HD3 PRO 52 - HN ARG+ 84 9.091% * 0.0933% (0.65 1.0 0.02 0.02) = 0.093% HB2 LYS+ 66 - HN ARG+ 84 9.091% * 0.0702% (0.49 1.0 0.02 0.02) = 0.070% HG3 LYS+ 120 - HN ARG+ 84 9.091% * 0.0593% (0.41 1.0 0.02 0.02) = 0.059% HB2 PRO 59 - HN ARG+ 84 9.091% * 0.0285% (0.20 1.0 0.02 0.02) = 0.029% HG2 PRO 112 - HN ARG+ 84 9.091% * 0.0276% (0.19 1.0 0.02 0.02) = 0.028% Peak 1342 (1.77, 7.32, 121.07 ppm): 12 chemical-shift based assignments, quality = 0.987, support = 4.72, residual support = 77.8: O HB2 ARG+ 84 - HN ARG+ 84 8.333% * 78.9199% (0.99 10.0 4.62 78.16) = 78.920% kept * HG2 ARG+ 84 - HN ARG+ 84 8.333% * 20.6581% (1.00 1.0 5.20 78.16) = 20.658% kept HB3 GLU- 18 - HN ARG+ 84 8.333% * 0.0796% (1.00 1.0 0.02 3.05) = 0.080% HG3 ARG+ 53 - HN ARG+ 84 8.333% * 0.0714% (0.90 1.0 0.02 0.02) = 0.071% HG3 LYS+ 63 - HN ARG+ 84 8.333% * 0.0609% (0.76 1.0 0.02 0.02) = 0.061% HG2 PRO 31 - HN ARG+ 84 8.333% * 0.0578% (0.73 1.0 0.02 0.02) = 0.058% HD3 PRO 59 - HN ARG+ 84 8.333% * 0.0419% (0.53 1.0 0.02 0.02) = 0.042% HB2 LEU 17 - HN ARG+ 84 8.333% * 0.0299% (0.37 1.0 0.02 1.76) = 0.030% HB3 LYS+ 108 - HN ARG+ 84 8.333% * 0.0272% (0.34 1.0 0.02 0.02) = 0.027% HB3 LYS+ 63 - HN ARG+ 84 8.333% * 0.0272% (0.34 1.0 0.02 0.02) = 0.027% HB2 LYS+ 117 - HN ARG+ 84 8.333% * 0.0139% (0.17 1.0 0.02 0.02) = 0.014% HB3 LEU 23 - HN ARG+ 84 8.333% * 0.0123% (0.15 1.0 0.02 0.02) = 0.012% Peak 1343 (0.67, 8.76, 119.28 ppm): 8 chemical-shift based assignments, quality = 0.634, support = 2.53, residual support = 13.0: * QD1 ILE 19 - HN PHE 34 12.500% * 41.3727% (0.49 4.54 22.00) = 41.373% kept QG2 ILE 48 - HN PHE 34 12.500% * 22.3288% (0.97 1.23 1.37) = 22.329% kept HG12 ILE 19 - HN PHE 34 12.500% * 16.0903% (0.61 1.42 22.00) = 16.090% kept QG2 ILE 101 - HN PHE 34 12.500% * 9.1953% (0.48 1.03 0.41) = 9.195% kept QG2 ILE 68 - HN PHE 34 12.500% * 7.2688% (0.57 0.69 0.15) = 7.269% kept QG1 VAL 62 - HN PHE 34 12.500% * 3.4815% (0.99 0.19 0.02) = 3.481% kept QG2 VAL 94 - HN PHE 34 12.500% * 0.2120% (0.57 0.02 0.02) = 0.212% QG1 VAL 65 - HN PHE 34 12.500% * 0.0507% (0.14 0.02 0.02) = 0.051% Peak 1345 (0.67, 8.60, 125.48 ppm): 7 chemical-shift based assignments, quality = 0.485, support = 4.77, residual support = 33.5: HG12 ILE 19 - HN LYS+ 20 14.286% * 38.6974% (0.49 5.55 45.32) = 38.697% kept * QD1 ILE 19 - HN LYS+ 20 14.286% * 33.4698% (0.37 6.22 45.32) = 33.470% kept QG2 VAL 94 - HN LYS+ 20 14.286% * 17.3324% (0.45 2.70 4.01) = 17.332% kept QG1 VAL 62 - HN LYS+ 20 14.286% * 9.9808% (0.94 0.74 0.66) = 9.981% kept QG2 ILE 48 - HN LYS+ 20 14.286% * 0.2733% (0.95 0.02 0.02) = 0.273% QG2 ILE 68 - HN LYS+ 20 14.286% * 0.1285% (0.45 0.02 0.02) = 0.128% QG2 ILE 101 - HN LYS+ 20 14.286% * 0.1178% (0.41 0.02 0.02) = 0.118% Peak 1346 (1.75, 8.82, 121.40 ppm): 8 chemical-shift based assignments, quality = 0.798, support = 0.783, residual support = 0.713: HB2 LEU 17 - HN LYS+ 32 12.500% * 43.2857% (0.99 0.95 0.59) = 43.286% kept HB ILE 48 - HN LYS+ 32 12.500% * 23.9255% (0.80 0.65 0.12) = 23.925% kept * HB3 GLU- 18 - HN LYS+ 32 12.500% * 15.4581% (0.31 1.09 2.77) = 15.458% kept HD3 PRO 59 - HN LYS+ 32 12.500% * 14.1231% (0.92 0.33 0.02) = 14.123% kept HG2 ARG+ 84 - HN LYS+ 32 12.500% * 1.2581% (0.28 0.10 0.02) = 1.258% kept HB2 LYS+ 117 - HN LYS+ 32 12.500% * 0.8705% (0.94 0.02 0.02) = 0.871% HB3 LEU 23 - HN LYS+ 32 12.500% * 0.8495% (0.92 0.02 0.02) = 0.850% HB2 ARG+ 84 - HN LYS+ 32 12.500% * 0.2295% (0.25 0.02 0.02) = 0.229% Peak 1347 (0.40, 8.74, 120.07 ppm): 2 chemical-shift based assignments, quality = 0.779, support = 3.13, residual support = 9.55: * QD1 ILE 48 - HN VAL 62 50.000% * 65.4483% (0.78 3.74 9.55) = 65.448% kept HG12 ILE 48 - HN VAL 62 50.000% * 34.5517% (0.78 1.97 9.55) = 34.552% kept Peak 1348 (4.78, 8.42, 120.11 ppm): 2 chemical-shift based assignments, quality = 0.461, support = 0.02, residual support = 0.02: HA ASN 15 - HN LYS+ 117 50.000% * 72.5341% (0.56 0.02 0.02) = 72.534% kept HA LEU 23 - HN LYS+ 117 50.000% * 27.4659% (0.21 0.02 0.02) = 27.466% kept Reference assignment not found: HA ASN 15 - HN ASN 15 Not enough support, support cutoff is 0.27 Peak unassigned. Peaks: selected : 1169 with diagonal assignment : 122 without assignment possibility : 199 with one assignment possibility : 51 with multiple assignment possibilities : 797 with given assignment possibilities : 0 with unique volume contribution : 168 with multiple volume contributions : 680 eliminated by violation filter : 0 Peaks: selected : 1169 without assignment : 270 with assignment : 899 with unique assignment : 258 with multiple assignment : 641 with reference assignment : 783 with identical reference assignment : 241 with compatible reference assignment : 477 with incompatible reference assignment : 44 with additional reference assignment : 21 with additional assignment : 137 Atoms with eliminated volume contribution > 2.5: HN ALA 11 3.9 HA ASN 15 5.0 HD22 ASN 15 4.0 HA ILE 19 3.0 HN GLU- 75 4.8 HN LYS+ 108 3.0 HN LYS+ 113 3.0 HN LYS+ 117 5.0 HB2 ASN 119 2.9