- 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 7 (10.10, 10.10, 128.89 ppm): 1 diagonal assignment: * HN SER 15 - HN SER 15 (1.00) kept Peak 8 (8.46, 8.46, 128.62 ppm): 1 diagonal assignment: * HN GLU- 23 - HN GLU- 23 (1.00) kept Peak 9 (9.01, 9.01, 128.35 ppm): 1 diagonal assignment: * HN ILE 95 - HN ILE 95 (1.00) kept Peak 10 (9.22, 9.22, 127.77 ppm): 2 diagonal assignments: * HN ARG+ 57 - HN ARG+ 57 (1.00) kept HN GLY 58 - HN GLY 58 (0.70) kept Peak 11 (9.42, 9.41, 127.35 ppm): 1 diagonal assignment: * HN TYR 97 - HN TYR 97 (0.89) kept Peak 13 (9.50, 9.50, 127.32 ppm): 1 diagonal assignment: * HN TRP 67 - HN TRP 67 (1.00) kept Peak 14 (9.64, 9.64, 126.69 ppm): 1 diagonal assignment: * HN VAL 52 - HN VAL 52 (1.00) kept Peak 15 (8.22, 8.22, 126.68 ppm): 1 diagonal assignment: * HN ILE 96 - HN ILE 96 (1.00) kept Peak 16 (8.82, 8.82, 126.53 ppm): 1 diagonal assignment: * HN PHE 84 - HN PHE 84 (1.00) kept Peak 17 (8.04, 8.04, 126.45 ppm): 1 diagonal assignment: * HN ASP- 87 - HN ASP- 87 (1.00) kept Peak 18 (9.70, 9.70, 126.28 ppm): 1 diagonal assignment: * HN TRP 50 - HN TRP 50 (1.00) kept Peak 19 (9.11, 9.11, 126.12 ppm): 1 diagonal assignment: * HN GLU- 59 - HN GLU- 59 (1.00) kept Peak 20 (7.82, 7.82, 126.19 ppm): 1 diagonal assignment: * HN MET 101 - HN MET 101 (1.00) kept Peak 21 (8.71, 8.71, 126.13 ppm): 1 diagonal assignment: * HN LYS+ 56 - HN LYS+ 56 (1.00) kept Peak 23 (9.26, 9.26, 125.00 ppm): 1 diagonal assignment: * HN LYS+ 55 - HN LYS+ 55 (1.00) kept Peak 24 (8.78, 8.78, 125.04 ppm): 1 diagonal assignment: * HN ARG+ 53 - HN ARG+ 53 (1.00) kept Peak 25 (8.01, 8.01, 124.68 ppm): 1 diagonal assignment: * HN LEU 26 - HN LEU 26 (1.00) kept Peak 26 (9.28, 9.28, 124.59 ppm): 1 diagonal assignment: * HN LEU 43 - HN LEU 43 (1.00) kept Peak 27 (8.30, 8.30, 124.56 ppm): 1 diagonal assignment: * HN ALA 2 - HN ALA 2 (1.00) kept Peak 28 (9.51, 9.51, 124.36 ppm): 1 diagonal assignment: * HN PHE 92 - HN PHE 92 (1.00) kept Peak 29 (9.26, 9.26, 124.15 ppm): 1 diagonal assignment: * HN GLN 83 - HN GLN 83 (1.00) kept Peak 31 (9.36, 9.36, 123.50 ppm): 1 diagonal assignment: * HN VAL 61 - HN VAL 61 (1.00) kept Peak 32 (8.07, 8.07, 124.25 ppm): 1 diagonal assignment: * HN MET 54 - HN MET 54 (1.00) kept Peak 35 (8.06, 8.06, 123.01 ppm): 1 diagonal assignment: * HN ARG+ 48 - HN ARG+ 48 (0.84) kept Peak 36 (9.62, 9.62, 122.66 ppm): 1 diagonal assignment: * HN ILE 85 - HN ILE 85 (1.00) kept Peak 38 (8.73, 8.73, 122.33 ppm): 1 diagonal assignment: * HN PHE 13 - HN PHE 13 (1.00) kept Peak 39 (9.57, 9.57, 122.27 ppm): 1 diagonal assignment: * HN LEU 42 - HN LEU 42 (1.00) kept Peak 40 (9.01, 9.01, 122.14 ppm): 1 diagonal assignment: * HN THR 51 - HN THR 51 (1.00) kept Peak 41 (8.87, 8.87, 122.18 ppm): 1 diagonal assignment: * HN PHE 62 - HN PHE 62 (1.00) kept Peak 43 (8.57, 8.57, 122.13 ppm): 1 diagonal assignment: * HN VAL 94 - HN VAL 94 (1.00) kept Peak 44 (9.26, 9.26, 122.00 ppm): 1 diagonal assignment: * HN ARG+ 90 - HN ARG+ 90 (1.00) kept Peak 45 (8.03, 8.03, 122.00 ppm): 1 diagonal assignment: * HN PHE 28 - HN PHE 28 (1.00) kept Peak 46 (8.70, 8.70, 121.57 ppm): 1 diagonal assignment: * HN ASP- 78 - HN ASP- 78 (1.00) kept Peak 47 (9.19, 9.19, 121.52 ppm): 1 diagonal assignment: * HN TYR 81 - HN TYR 81 (1.00) kept Peak 48 (6.97, 6.97, 121.41 ppm): 1 diagonal assignment: * HN PHE 70 - HN PHE 70 (1.00) kept Peak 49 (8.08, 8.07, 121.49 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 51 (8.72, 8.72, 120.76 ppm): 1 diagonal assignment: * HN LEU 82 - HN LEU 82 (1.00) kept Peak 52 (8.90, 8.90, 120.48 ppm): 2 diagonal assignments: * HN LEU 63 - HN LEU 63 (1.00) kept HN ASP- 41 - HN ASP- 41 (0.01) kept Peak 53 (8.05, 8.08, 120.39 ppm): 1 diagonal assignment: * HN LEU 22 - HN LEU 22 (0.14) kept Peak 54 (8.74, 8.74, 120.22 ppm): 1 diagonal assignment: * HN MET 10 - HN MET 10 (1.00) kept Peak 55 (8.93, 8.93, 120.17 ppm): 3 diagonal assignments: * HN ASP- 41 - HN ASP- 41 (1.00) kept HN GLU- 16 - HN GLU- 16 (0.03) kept HN LEU 63 - HN LEU 63 (0.01) kept Peak 56 (8.21, 8.21, 120.09 ppm): 1 diagonal assignment: * HN GLU- 6 - HN GLU- 6 (1.00) kept Peak 57 (8.91, 8.91, 119.77 ppm): 2 diagonal assignments: * HN GLU- 16 - HN GLU- 16 (1.00) kept HN ASP- 41 - HN ASP- 41 (0.03) kept Peak 58 (8.26, 8.26, 119.69 ppm): 1 diagonal assignment: * HN ASP- 3 - HN ASP- 3 (1.00) kept Peak 59 (8.55, 8.55, 119.62 ppm): 1 diagonal assignment: * HN ASP- 73 - HN ASP- 73 (1.00) kept Peak 63 (7.45, 7.45, 119.53 ppm): 1 diagonal assignment: * HN VAL 71 - HN VAL 71 (1.00) kept Peak 65 (8.64, 8.64, 119.17 ppm): 1 diagonal assignment: * HN GLN 8 - HN GLN 8 (1.00) kept Peak 66 (8.46, 8.46, 118.64 ppm): 1 diagonal assignment: * HN THR 91 - HN THR 91 (1.00) kept Peak 67 (7.15, 7.15, 118.42 ppm): 1 diagonal assignment: * HN PHE 32 - HN PHE 32 (1.00) kept Peak 68 (8.30, 8.30, 118.30 ppm): 1 diagonal assignment: * HN VAL 7 - HN VAL 7 (1.00) kept Peak 69 (9.37, 9.37, 117.84 ppm): 1 diagonal assignment: * HN GLY 66 - HN GLY 66 (0.96) kept Peak 71 (7.49, 7.49, 118.10 ppm): 1 diagonal assignment: * HN LYS+ 60 - HN LYS+ 60 (1.00) kept Peak 74 (9.41, 9.41, 117.56 ppm): 1 diagonal assignment: * HN GLU- 68 - HN GLU- 68 (1.00) kept Peak 75 (7.37, 7.37, 117.34 ppm): 1 diagonal assignment: * HN ASN 69 - HN ASN 69 (1.00) kept Peak 78 (8.48, 8.48, 117.22 ppm): 1 diagonal assignment: * HN SER 46 - HN SER 46 (1.00) kept Peak 79 (6.42, 6.42, 117.16 ppm): 1 diagonal assignment: * HN GLU- 77 - HN GLU- 77 (1.00) kept Peak 80 (7.54, 7.54, 116.89 ppm): 1 diagonal assignment: * HN LYS+ 80 - HN LYS+ 80 (0.24) kept Peak 81 (7.46, 7.46, 116.73 ppm): 2 diagonal assignments: * HN GLU- 30 - HN GLU- 30 (1.00) kept HN TYR 31 - HN TYR 31 (0.15) kept Peak 83 (8.21, 8.21, 116.42 ppm): 1 diagonal assignment: * HN SER 19 - HN SER 19 (1.00) kept Peak 84 (7.47, 7.47, 115.83 ppm): 1 diagonal assignment: * HN LEU 76 - HN LEU 76 (1.00) kept Peak 85 (8.55, 8.55, 115.02 ppm): 1 diagonal assignment: * HN PHE 9 - HN PHE 9 (1.00) kept Peak 86 (7.56, 7.56, 114.74 ppm): 1 diagonal assignment: * HN ASN 29 - HN ASN 29 (1.00) kept Peak 87 (8.18, 8.18, 114.64 ppm): 1 diagonal assignment: * HN SER 21 - HN SER 21 (1.00) kept Peak 88 (8.76, 8.76, 114.39 ppm): 1 diagonal assignment: * HN THR 64 - HN THR 64 (1.00) kept Peak 89 (7.06, 7.06, 114.28 ppm): 1 diagonal assignment: * HN LYS+ 17 - HN LYS+ 17 (1.00) kept Peak 90 (8.00, 8.00, 113.47 ppm): 1 diagonal assignment: * HN SER 18 - HN SER 18 (1.00) kept Peak 97 (6.74, 6.74, 112.74 ppm): 2 diagonal assignments: * HN ASN 74 - HN ASN 74 (1.00) kept HD22 ASN 75 - HD22 ASN 75 (0.01) kept Peak 100 (9.11, 9.11, 112.56 ppm): 1 diagonal assignment: * HN VAL 40 - HN VAL 40 (1.00) kept Peak 101 (7.99, 7.99, 112.31 ppm): 1 diagonal assignment: * HN THR 4 - HN THR 4 (1.00) kept Peak 103 (7.26, 7.26, 112.16 ppm): 1 diagonal assignment: * HN SER 49 - HN SER 49 (1.00) kept Peak 107 (8.87, 8.87, 111.67 ppm): 1 diagonal assignment: * HN GLY 79 - HN GLY 79 (1.00) kept Peak 114 (8.69, 8.69, 108.37 ppm): 1 diagonal assignment: * HN GLY 98 - HN GLY 98 (1.00) kept Peak 116 (7.49, 7.49, 107.96 ppm): 1 diagonal assignment: * HN THR 39 - HN THR 39 (1.00) kept Peak 120 (8.74, 8.74, 106.16 ppm): 1 diagonal assignment: * HN GLY 27 - HN GLY 27 (1.00) kept Peak 121 (9.48, 9.48, 124.36 ppm): 1 diagonal assignment: * HN LYS+ 11 - HN LYS+ 11 (1.00) kept Peak 127 (8.08, 8.08, 119.55 ppm): 1 diagonal assignment: * HN ASP- 89 - HN ASP- 89 (1.00) kept Peak 128 (7.99, 7.99, 119.63 ppm): 1 diagonal assignment: * HN ALA 34 - HN ALA 34 (1.00) kept Peak 129 (9.61, 9.61, 129.68 ppm): 1 diagonal assignment: * HN TYR 86 - HN TYR 86 (1.00) kept Peak 132 (9.57, 9.57, 122.83 ppm): 1 diagonal assignment: * HN TYR 93 - HN TYR 93 (1.00) kept Peak 137 (7.72, 7.72, 118.24 ppm): 1 diagonal assignment: * HN LYS+ 72 - HN LYS+ 72 (1.00) kept Peak 139 (7.67, 7.67, 117.95 ppm): 1 diagonal assignment: * HN ASN 75 - HN ASN 75 (1.00) kept Peak 140 (7.26, 7.26, 130.24 ppm): 1 diagonal assignment: * HN ILE 14 - HN ILE 14 (1.00) kept Peak 143 (7.48, 7.48, 116.84 ppm): 2 diagonal assignments: * HN TYR 31 - HN TYR 31 (1.00) kept HN GLU- 30 - HN GLU- 30 (0.15) kept Peak 148 (8.43, 8.43, 124.05 ppm): 1 diagonal assignment: * HN PHE 36 - HN PHE 36 (1.00) kept Peak 149 (8.19, 8.19, 119.57 ppm): 1 diagonal assignment: * HN ILE 38 - HN ILE 38 (1.00) kept Peak 152 (8.34, 8.34, 110.92 ppm): 1 diagonal assignment: * HN GLY 5 - HN GLY 5 (1.00) kept Peak 153 (8.42, 8.42, 110.99 ppm): 1 diagonal assignment: * HN GLY 47 - HN GLY 47 (1.00) kept Peak 155 (6.99, 6.99, 117.04 ppm): 1 diagonal assignment: * HE ARG+ 90 - HE ARG+ 90 (1.00) kept Peak 156 (8.34, 8.34, 131.93 ppm): 1 diagonal assignment: * HN ILE 24 - HN ILE 24 (1.00) kept Peak 162 (7.78, 7.78, 123.53 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 166 (8.00, 8.00, 117.81 ppm): 1 diagonal assignment: * HN ASP- 44 - HN ASP- 44 (1.00) kept Peak 167 (8.93, 8.93, 125.55 ppm): 1 diagonal assignment: * HN VAL 65 - HN VAL 65 (1.00) kept Peak 621 (7.34, 7.34, 107.31 ppm): 1 diagonal assignment: * HD21 ASN 29 - HD21 ASN 29 (0.94) kept Peak 622 (6.50, 6.48, 107.31 ppm): 1 diagonal assignment: * HD22 ASN 29 - HD22 ASN 29 (0.63) kept Peak 623 (7.47, 7.46, 110.90 ppm): 1 diagonal assignment: * HE21 GLN 8 - HE21 GLN 8 (0.76) kept Peak 624 (6.67, 6.66, 110.90 ppm): 1 diagonal assignment: * HE22 GLN 8 - HE22 GLN 8 (0.68) kept Peak 625 (7.34, 7.32, 111.42 ppm): 1 diagonal assignment: * HE21 GLN 83 - HE21 GLN 83 (0.36) kept Peak 626 (6.83, 6.83, 111.42 ppm): 1 diagonal assignment: * HE22 GLN 83 - HE22 GLN 83 (0.94) kept Peak 627 (7.52, 7.49, 112.19 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 628 (6.85, 6.82, 112.19 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 629 (7.46, 7.44, 112.96 ppm): 1 diagonal assignment: * HD21 ASN 75 - HD21 ASN 75 (0.59) kept Peak 630 (6.71, 6.71, 112.96 ppm): 2 diagonal assignments: * HD22 ASN 75 - HD22 ASN 75 (1.00) kept HN ASN 74 - HN ASN 74 (0.01) kept Peak 631 (7.52, 7.51, 112.45 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 632 (6.85, 6.83, 112.45 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 633 (10.45, 10.45, 130.18 ppm): 1 diagonal assignment: * HE1 TRP 67 - HE1 TRP 67 (1.00) kept Peak 634 (11.64, 11.64, 132.24 ppm): 1 diagonal assignment: * HE1 TRP 50 - HE1 TRP 50 (0.89) kept Peak 635 (7.34, 7.35, 117.59 ppm): 1 diagonal assignment: HN ASN 69 - HN ASN 69 (0.07) kept Peak 636 (7.79, 8.07, 121.49 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 637 (4.42, 8.07, 121.49 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 638 (4.26, 8.07, 121.49 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 639 (2.73, 8.07, 121.49 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 640 (1.84, 8.07, 121.49 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 641 (4.84, 7.78, 123.53 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 642 (4.40, 7.78, 123.53 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 643 (4.29, 7.78, 123.53 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 644 (2.85, 7.78, 123.53 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 645 (2.65, 7.78, 123.53 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 646 (2.27, 7.78, 123.53 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 647 (2.02, 7.78, 123.53 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 648 (1.81, 7.77, 123.53 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 649 (6.84, 7.32, 111.42 ppm): 1 chemical-shift based assignment, quality = 0.624, support = 2.14, residual support = 59.8: O T HE22 GLN 83 - HE21 GLN 83 100.000% *100.0000% (0.62 10.0 10.00 2.14 59.82) = 100.000% kept Peak 650 (2.50, 7.32, 111.42 ppm): 4 chemical-shift based assignments, quality = 0.311, support = 2.01, residual support = 40.4: HB2 GLN 83 - HE21 GLN 83 25.000% * 67.4291% (0.13 2.93 59.82) = 67.429% kept HG2 GLU- 68 - HE21 GLN 83 25.000% * 16.5264% (0.95 0.10 0.02) = 16.526% kept QB PHE 62 - HE21 GLN 83 25.000% * 8.5317% (0.30 0.16 0.43) = 8.532% kept HB2 ARG+ 90 - HE21 GLN 83 25.000% * 7.5129% (0.55 0.08 0.02) = 7.513% kept Peak 651 (2.25, 7.32, 111.42 ppm): 3 chemical-shift based assignments, quality = 0.291, support = 2.74, residual support = 50.6: O HG2 GLN 83 - HE21 GLN 83 33.333% * 84.5631% (0.19 10.0 3.16 59.82) = 84.563% kept HB3 GLN 8 - HE21 GLN 83 33.333% * 8.3498% (0.74 1.0 0.51 0.02) = 8.350% kept HB2 PRO 25 - HE21 GLN 83 33.333% * 7.0871% (0.96 1.0 0.33 0.02) = 7.087% kept Peak 652 (2.08, 7.32, 111.42 ppm): 7 chemical-shift based assignments, quality = 0.814, support = 3.03, residual support = 56.4: O HG3 GLN 83 - HE21 GLN 83 14.286% * 94.1194% (0.84 10.0 3.09 59.82) = 94.119% kept HG2 MET 54 - HE21 GLN 83 14.286% * 5.6142% (0.47 1.0 2.13 1.51) = 5.614% kept HB2 LYS+ 11 - HE21 GLN 83 14.286% * 0.1047% (0.93 1.0 0.02 0.50) = 0.105% QB ARG+ 88 - HE21 GLN 83 14.286% * 0.0906% (0.81 1.0 0.02 0.02) = 0.091% HB2 GLU- 16 - HE21 GLN 83 14.286% * 0.0302% (0.27 1.0 0.02 0.23) = 0.030% HB3 PRO 37 - HE21 GLN 83 14.286% * 0.0242% (0.21 1.0 0.02 0.02) = 0.024% QG PRO 12 - HE21 GLN 83 14.286% * 0.0167% (0.15 1.0 0.02 0.02) = 0.017% Peak 653 (0.90, 7.32, 111.42 ppm): 3 chemical-shift based assignments, quality = 0.766, support = 1.14, residual support = 1.6: QD2 LEU 26 - HE21 GLN 83 33.333% * 40.5979% (0.96 0.96 1.31) = 40.598% kept QD1 ILE 85 - HE21 GLN 83 33.333% * 39.0345% (0.81 1.11 2.05) = 39.034% kept QD1 LEU 26 - HE21 GLN 83 33.333% * 20.3677% (0.30 1.56 1.31) = 20.368% kept Peak 654 (7.34, 6.83, 111.42 ppm): 3 chemical-shift based assignments, quality = 0.524, support = 2.13, residual support = 59.7: O T HE21 GLN 83 - HE22 GLN 83 33.333% * 99.7733% (0.52 10.0 10.00 2.14 59.82) = 99.773% kept HD21 ASN 29 - HE22 GLN 83 33.333% * 0.1892% (1.00 1.0 1.00 0.02 0.02) = 0.189% HN ASN 69 - HE22 GLN 83 33.333% * 0.0375% (0.20 1.0 1.00 0.02 0.02) = 0.038% Peak 655 (2.27, 6.83, 111.42 ppm): 5 chemical-shift based assignments, quality = 0.987, support = 2.32, residual support = 59.7: O HG2 GLN 83 - HE22 GLN 83 20.000% * 99.8084% (0.99 10.0 2.32 59.82) = 99.808% kept HB VAL 40 - HE22 GLN 83 20.000% * 0.0651% (0.65 1.0 0.02 0.20) = 0.065% HB3 GLN 8 - HE22 GLN 83 20.000% * 0.0651% (0.65 1.0 0.02 0.02) = 0.065% QG GLU- 16 - HE22 GLN 83 20.000% * 0.0414% (0.41 1.0 0.02 0.23) = 0.041% HB2 PRO 25 - HE22 GLN 83 20.000% * 0.0199% (0.20 1.0 0.02 0.02) = 0.020% Peak 656 (2.10, 6.83, 111.42 ppm): 6 chemical-shift based assignments, quality = 0.846, support = 0.335, residual support = 1.2: HG2 MET 54 - HE22 GLN 83 16.667% * 74.5353% (0.92 0.42 1.51) = 74.535% kept HB2 LYS+ 11 - HE22 GLN 83 16.667% * 12.9405% (0.41 0.16 0.50) = 12.940% kept HB2 GLU- 16 - HE22 GLN 83 16.667% * 3.8600% (1.00 0.02 0.23) = 3.860% kept HB3 PRO 37 - HE22 GLN 83 16.667% * 3.8259% (0.99 0.02 0.02) = 3.826% kept HB2 MET 1 - HE22 GLN 83 16.667% * 2.4971% (0.65 0.02 0.02) = 2.497% kept QB ARG+ 88 - HE22 GLN 83 16.667% * 2.3412% (0.61 0.02 0.02) = 2.341% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 657 (0.88, 6.83, 111.42 ppm): 5 chemical-shift based assignments, quality = 0.741, support = 1.62, residual support = 6.68: QD1 ILE 95 - HE22 GLN 83 20.000% * 49.2844% (0.92 2.11 11.96) = 49.284% kept QD1 ILE 85 - HE22 GLN 83 20.000% * 20.7964% (0.61 1.36 2.05) = 20.796% kept QD2 LEU 43 - HE22 GLN 83 20.000% * 18.8316% (0.69 1.08 1.37) = 18.832% kept QD2 LEU 26 - HE22 GLN 83 20.000% * 7.1763% (0.25 1.14 1.31) = 7.176% kept QG2 VAL 40 - HE22 GLN 83 20.000% * 3.9114% (0.37 0.41 0.20) = 3.911% kept Peak 658 (4.82, 8.30, 124.56 ppm): 2 chemical-shift based assignments, quality = 0.873, support = 0.823, residual support = 0.961: HA TRP 50 - HN ALA 2 50.000% * 50.2728% (0.98 0.73 0.68) = 50.273% kept HA TYR 81 - HN ALA 2 50.000% * 49.7272% (0.76 0.92 1.25) = 49.727% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 659 (4.49, 8.30, 124.56 ppm): 9 chemical-shift based assignments, quality = 0.803, support = 2.91, residual support = 5.32: O HA MET 1 - HN ALA 2 11.111% * 92.4866% (0.80 10.0 3.05 5.71) = 92.487% kept HA VAL 7 - HN ALA 2 11.111% * 6.9632% (0.90 1.0 1.34 0.61) = 6.963% kept HA LYS+ 60 - HN ALA 2 11.111% * 0.1152% (1.00 1.0 0.02 0.02) = 0.115% HA ASN 74 - HN ALA 2 11.111% * 0.1093% (0.95 1.0 0.02 0.02) = 0.109% HA ASN 69 - HN ALA 2 11.111% * 0.1066% (0.92 1.0 0.02 0.02) = 0.107% HA ASN 100 - HN ALA 2 11.111% * 0.1066% (0.92 1.0 0.02 0.02) = 0.107% HA VAL 61 - HN ALA 2 11.111% * 0.0608% (0.53 1.0 0.02 0.02) = 0.061% HA TYR 31 - HN ALA 2 11.111% * 0.0288% (0.25 1.0 0.02 0.02) = 0.029% HB2 SER 18 - HN ALA 2 11.111% * 0.0229% (0.20 1.0 0.02 0.02) = 0.023% Peak 660 (4.31, 8.30, 124.56 ppm): 5 chemical-shift based assignments, quality = 0.894, support = 1.65, residual support = 11.4: O HA ALA 2 - HN ALA 2 20.000% * 99.7352% (0.90 10.0 1.65 11.47) = 99.735% kept HA PHE 28 - HN ALA 2 20.000% * 0.1273% (0.95 1.0 0.02 0.02) = 0.127% HA PRO 12 - HN ALA 2 20.000% * 0.0603% (0.45 1.0 0.02 0.02) = 0.060% HA ASP- 73 - HN ALA 2 20.000% * 0.0505% (0.38 1.0 0.02 0.02) = 0.051% HB THR 4 - HN ALA 2 20.000% * 0.0266% (0.20 1.0 0.02 1.39) = 0.027% Peak 661 (1.38, 8.30, 124.56 ppm): 5 chemical-shift based assignments, quality = 0.72, support = 2.18, residual support = 11.4: O QB ALA 2 - HN ALA 2 20.000% * 99.1393% (0.73 10.0 2.19 11.47) = 99.139% kept HG2 LYS+ 17 - HN ALA 2 20.000% * 0.6623% (0.73 1.0 0.13 0.02) = 0.662% HG2 ARG+ 88 - HN ALA 2 20.000% * 0.1140% (0.84 1.0 0.02 0.02) = 0.114% HB3 LYS+ 60 - HN ALA 2 20.000% * 0.0421% (0.31 1.0 0.02 0.02) = 0.042% QG LYS+ 55 - HN ALA 2 20.000% * 0.0421% (0.31 1.0 0.02 0.02) = 0.042% Peak 662 (4.82, 8.26, 119.69 ppm): 2 chemical-shift based assignments, quality = 0.866, support = 1.36, residual support = 0.789: HA TYR 81 - HN ASP- 3 50.000% * 52.8912% (0.76 1.59 0.83) = 52.891% kept HA TRP 50 - HN ASP- 3 50.000% * 47.1088% (0.98 1.11 0.74) = 47.109% kept Peak 663 (4.66, 8.26, 119.69 ppm): 4 chemical-shift based assignments, quality = 0.871, support = 2.32, residual support = 8.36: O HA ASP- 3 - HN ASP- 3 25.000% * 86.1449% (0.87 10.0 2.20 7.57) = 86.145% kept HA ILE 96 - HN ASP- 3 25.000% * 13.7555% (0.90 1.0 3.09 13.32) = 13.756% kept HA GLU- 77 - HN ASP- 3 25.000% * 0.0861% (0.87 1.0 0.02 0.02) = 0.086% HA PRO 37 - HN ASP- 3 25.000% * 0.0134% (0.14 1.0 0.02 0.02) = 0.013% Peak 664 (4.31, 8.26, 119.69 ppm): 5 chemical-shift based assignments, quality = 0.884, support = 2.04, residual support = 3.88: O HA ALA 2 - HN ASP- 3 20.000% * 98.2664% (0.90 10.0 2.06 3.84) = 98.266% kept HB THR 4 - HN ASP- 3 20.000% * 1.5397% (0.20 1.0 1.42 7.21) = 1.540% kept HA PHE 28 - HN ASP- 3 20.000% * 0.1036% (0.95 1.0 0.02 0.02) = 0.104% HA PRO 12 - HN ASP- 3 20.000% * 0.0491% (0.45 1.0 0.02 0.02) = 0.049% HA ASP- 73 - HN ASP- 3 20.000% * 0.0411% (0.38 1.0 0.02 0.02) = 0.041% Peak 665 (2.71, 8.26, 119.69 ppm): 4 chemical-shift based assignments, quality = 0.759, support = 2.14, residual support = 7.09: O QB ASP- 3 - HN ASP- 3 25.000% * 93.4032% (0.76 10.0 2.18 7.57) = 93.403% kept HB3 TYR 97 - HN ASP- 3 25.000% * 6.5211% (0.69 1.0 1.55 0.32) = 6.521% kept HB2 ASN 100 - HN ASP- 3 25.000% * 0.0417% (0.34 1.0 0.02 0.02) = 0.042% QB ASP- 78 - HN ASP- 3 25.000% * 0.0340% (0.28 1.0 0.02 0.02) = 0.034% Peak 666 (1.38, 8.26, 119.69 ppm): 5 chemical-shift based assignments, quality = 0.717, support = 1.94, residual support = 3.03: QB ALA 2 - HN ASP- 3 20.000% * 72.4630% (0.73 2.37 3.84) = 72.463% kept HG2 LYS+ 17 - HN ASP- 3 20.000% * 26.3136% (0.73 0.86 0.95) = 26.314% kept HG2 ARG+ 88 - HN ASP- 3 20.000% * 0.7035% (0.84 0.02 0.02) = 0.703% HB3 LYS+ 60 - HN ASP- 3 20.000% * 0.2599% (0.31 0.02 0.02) = 0.260% QG LYS+ 55 - HN ASP- 3 20.000% * 0.2599% (0.31 0.02 0.02) = 0.260% Peak 667 (8.01, 8.00, 112.96 ppm): 1 diagonal assignment: * HD21 ASN 69 - HD21 ASN 69 (0.56) kept Peak 668 (7.11, 7.10, 112.96 ppm): 1 diagonal assignment: * HD22 ASN 69 - HD22 ASN 69 (0.96) kept Peak 669 (8.32, 7.99, 112.31 ppm): 5 chemical-shift based assignments, quality = 0.551, support = 3.34, residual support = 11.4: HN GLY 5 - HN THR 4 20.000% * 74.5177% (0.61 4.17 14.98) = 74.518% kept HN ALA 2 - HN THR 4 20.000% * 14.6887% (0.41 1.21 1.39) = 14.689% kept HN ILE 24 - HN THR 4 20.000% * 7.5572% (0.41 0.62 0.02) = 7.557% kept HN LYS+ 20 - HN THR 4 20.000% * 2.9262% (0.25 0.40 0.28) = 2.926% kept HN VAL 7 - HN THR 4 20.000% * 0.3102% (0.53 0.02 0.02) = 0.310% Peak 670 (4.80, 7.99, 112.31 ppm): 3 chemical-shift based assignments, quality = 0.722, support = 1.78, residual support = 3.0: HA TYR 81 - HN THR 4 33.333% * 64.0188% (0.90 2.06 3.91) = 64.019% kept HA TRP 50 - HN THR 4 33.333% * 18.7831% (0.38 1.44 1.73) = 18.783% kept HA THR 64 - HN THR 4 33.333% * 17.1980% (0.45 1.11 0.98) = 17.198% kept Peak 671 (4.65, 7.99, 112.31 ppm): 3 chemical-shift based assignments, quality = 0.923, support = 3.42, residual support = 7.11: O HA ASP- 3 - HN THR 4 33.333% * 98.5532% (0.92 10.0 3.47 7.21) = 98.553% kept HA GLU- 77 - HN THR 4 33.333% * 1.4067% (0.92 1.0 0.29 0.02) = 1.407% kept HA ILE 96 - HN THR 4 33.333% * 0.0401% (0.38 1.0 0.02 0.02) = 0.040% Peak 672 (4.34, 7.99, 112.31 ppm): 7 chemical-shift based assignments, quality = 0.973, support = 3.5, residual support = 21.6: O HA THR 4 - HN THR 4 14.286% * 49.3281% (0.99 10.0 3.52 21.94) = 49.328% kept O HB THR 4 - HN THR 4 14.286% * 48.7831% (0.98 10.0 3.53 21.94) = 48.783% kept HA ALA 2 - HN THR 4 14.286% * 1.7673% (0.31 1.0 2.30 1.39) = 1.767% kept HA ILE 38 - HN THR 4 14.286% * 0.0446% (0.90 1.0 0.02 0.02) = 0.045% HA ASP- 73 - HN THR 4 14.286% * 0.0416% (0.84 1.0 0.02 0.02) = 0.042% HA ILE 14 - HN THR 4 14.286% * 0.0242% (0.49 1.0 0.02 0.02) = 0.024% HA PRO 33 - HN THR 4 14.286% * 0.0111% (0.22 1.0 0.02 0.02) = 0.011% Peak 673 (2.71, 7.99, 112.31 ppm): 4 chemical-shift based assignments, quality = 0.846, support = 2.55, residual support = 6.75: QB ASP- 3 - HN THR 4 25.000% * 93.5858% (0.87 2.71 7.21) = 93.586% kept HB3 TYR 97 - HN THR 4 25.000% * 6.0576% (0.57 0.27 0.02) = 6.058% kept HB2 ASN 100 - HN THR 4 25.000% * 0.1988% (0.25 0.02 0.02) = 0.199% QB ASP- 78 - HN THR 4 25.000% * 0.1578% (0.20 0.02 0.02) = 0.158% Peak 674 (1.40, 7.99, 112.31 ppm): 5 chemical-shift based assignments, quality = 0.971, support = 1.29, residual support = 1.33: QB ALA 2 - HN THR 4 20.000% * 95.7731% (1.00 1.35 1.39) = 95.773% kept HG2 LYS+ 17 - HN THR 4 20.000% * 2.3773% (0.25 0.13 0.02) = 2.377% kept HB3 LYS+ 60 - HN THR 4 20.000% * 1.1427% (0.80 0.02 0.02) = 1.143% kept HG2 ARG+ 88 - HN THR 4 20.000% * 0.4868% (0.34 0.02 0.02) = 0.487% HG13 ILE 38 - HN THR 4 20.000% * 0.2202% (0.15 0.02 0.02) = 0.220% Peak 675 (1.17, 7.99, 112.31 ppm): 5 chemical-shift based assignments, quality = 0.449, support = 2.89, residual support = 19.0: QG2 THR 4 - HN THR 4 20.000% * 86.7393% (0.41 3.30 21.94) = 86.739% kept HD3 LYS+ 56 - HN THR 4 20.000% * 11.0797% (0.84 0.21 0.02) = 11.080% kept HB3 LEU 43 - HN THR 4 20.000% * 0.9772% (0.76 0.02 0.02) = 0.977% HG3 ARG+ 48 - HN THR 4 20.000% * 0.7239% (0.57 0.02 0.02) = 0.724% QG2 THR 39 - HN THR 4 20.000% * 0.4799% (0.38 0.02 0.02) = 0.480% Peak 676 (4.82, 8.34, 110.92 ppm): 2 chemical-shift based assignments, quality = 0.897, support = 1.85, residual support = 1.09: HA TYR 81 - HN GLY 5 50.000% * 64.9609% (0.90 2.21 1.46) = 64.961% kept HA TRP 50 - HN GLY 5 50.000% * 35.0391% (0.90 1.19 0.40) = 35.039% kept Peak 677 (4.66, 8.34, 110.92 ppm): 4 chemical-shift based assignments, quality = 0.859, support = 1.4, residual support = 0.933: HA ASP- 3 - HN GLY 5 25.000% * 67.8366% (0.87 1.70 1.23) = 67.837% kept HA GLU- 77 - HN GLY 5 25.000% * 31.2144% (0.87 0.78 0.32) = 31.214% kept HA ILE 96 - HN GLY 5 25.000% * 0.8246% (0.90 0.02 0.02) = 0.825% HA PRO 37 - HN GLY 5 25.000% * 0.1244% (0.14 0.02 0.02) = 0.124% Peak 678 (4.33, 8.34, 110.92 ppm): 6 chemical-shift based assignments, quality = 0.605, support = 3.72, residual support = 14.9: O HA THR 4 - HN GLY 5 16.667% * 78.9401% (0.57 10.0 3.70 14.98) = 78.940% kept HB THR 4 - HN GLY 5 16.667% * 20.7069% (0.76 1.0 3.89 14.98) = 20.707% kept HA ASP- 73 - HN GLY 5 16.667% * 0.1319% (0.95 1.0 0.02 0.02) = 0.132% HA ALA 2 - HN GLY 5 16.667% * 0.1165% (0.84 1.0 0.02 0.02) = 0.116% HA ILE 38 - HN GLY 5 16.667% * 0.0523% (0.38 1.0 0.02 0.02) = 0.052% HA PHE 28 - HN GLY 5 16.667% * 0.0523% (0.38 1.0 0.02 0.02) = 0.052% Peak 679 (3.95, 8.34, 110.92 ppm): 4 chemical-shift based assignments, quality = 0.316, support = 2.64, residual support = 7.55: O HA2 GLY 5 - HN GLY 5 25.000% * 98.1198% (0.31 10.0 2.69 7.69) = 98.120% kept HB THR 51 - HN GLY 5 25.000% * 1.6736% (0.76 1.0 0.14 0.02) = 1.674% kept HB THR 91 - HN GLY 5 25.000% * 0.1084% (0.34 1.0 0.02 0.02) = 0.108% HA1 GLY 27 - HN GLY 5 25.000% * 0.0981% (0.31 1.0 0.02 0.02) = 0.098% Peak 680 (2.16, 8.34, 110.92 ppm): 7 chemical-shift based assignments, quality = 0.839, support = 1.09, residual support = 0.68: QG GLN 8 - HN GLY 5 14.286% * 46.4650% (0.73 1.56 1.44) = 46.465% kept HB2 LEU 82 - HN GLY 5 14.286% * 29.6939% (0.92 0.79 0.02) = 29.694% kept HB2 GLU- 59 - HN GLY 5 14.286% * 22.7395% (1.00 0.56 0.02) = 22.739% kept HB2 PHE 84 - HN GLY 5 14.286% * 0.5297% (0.65 0.02 0.02) = 0.530% HB2 ASN 74 - HN GLY 5 14.286% * 0.2276% (0.28 0.02 0.02) = 0.228% HB ILE 85 - HN GLY 5 14.286% * 0.1823% (0.22 0.02 0.02) = 0.182% HB3 MET 101 - HN GLY 5 14.286% * 0.1620% (0.20 0.02 0.02) = 0.162% Peak 681 (1.94, 8.34, 110.92 ppm): 9 chemical-shift based assignments, quality = 0.748, support = 1.86, residual support = 6.64: QB GLU- 6 - HN GLY 5 11.111% * 76.8626% (0.84 2.23 8.56) = 76.863% kept HB3 GLU- 77 - HN GLY 5 11.111% * 18.6360% (0.57 0.80 0.32) = 18.636% kept QG PRO 37 - HN GLY 5 11.111% * 0.8177% (0.99 0.02 0.02) = 0.818% HB3 TYR 31 - HN GLY 5 11.111% * 0.8177% (0.99 0.02 0.02) = 0.818% HB3 ARG+ 53 - HN GLY 5 11.111% * 0.7616% (0.92 0.02 0.02) = 0.762% HB3 GLU- 16 - HN GLY 5 11.111% * 0.6606% (0.80 0.02 0.02) = 0.661% HB2 LYS+ 60 - HN GLY 5 11.111% * 0.6606% (0.80 0.02 0.02) = 0.661% HB3 GLN 83 - HN GLY 5 11.111% * 0.5018% (0.15 0.08 0.02) = 0.502% HB VAL 71 - HN GLY 5 11.111% * 0.2814% (0.34 0.02 0.02) = 0.281% Peak 682 (1.17, 8.34, 110.92 ppm): 5 chemical-shift based assignments, quality = 0.446, support = 3.27, residual support = 13.2: QG2 THR 4 - HN GLY 5 20.000% * 87.9731% (0.41 3.69 14.98) = 87.973% kept HD3 LYS+ 56 - HN GLY 5 20.000% * 10.0484% (0.84 0.21 0.02) = 10.048% kept HB3 LEU 43 - HN GLY 5 20.000% * 0.8865% (0.76 0.02 0.02) = 0.886% HG3 ARG+ 48 - HN GLY 5 20.000% * 0.6567% (0.57 0.02 0.02) = 0.657% QG2 THR 39 - HN GLY 5 20.000% * 0.4353% (0.38 0.02 0.02) = 0.435% Peak 683 (0.43, 8.34, 110.92 ppm): 2 chemical-shift based assignments, quality = 0.873, support = 0.786, residual support = 0.377: QD2 LEU 76 - HN GLY 5 50.000% * 88.4676% (0.92 0.86 0.38) = 88.468% kept QD1 LEU 76 - HN GLY 5 50.000% * 11.5324% (0.49 0.21 0.38) = 11.532% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 684 (4.80, 8.21, 120.09 ppm): 3 chemical-shift based assignments, quality = 0.694, support = 1.36, residual support = 0.604: HA TYR 81 - HN GLU- 6 33.333% * 58.5424% (0.90 1.48 0.85) = 58.542% kept HA TRP 50 - HN GLU- 6 33.333% * 22.7569% (0.38 1.37 0.34) = 22.757% kept HA THR 64 - HN GLU- 6 33.333% * 18.7007% (0.45 0.95 0.17) = 18.701% kept Peak 685 (4.45, 8.21, 120.09 ppm): 9 chemical-shift based assignments, quality = 0.895, support = 3.7, residual support = 33.3: O HA GLU- 6 - HN GLU- 6 11.111% * 97.4942% (0.90 10.0 3.79 34.17) = 97.494% kept HB THR 64 - HN GLU- 6 11.111% * 2.2116% (0.92 1.0 0.44 0.17) = 2.212% kept HA TYR 31 - HN GLU- 6 11.111% * 0.0870% (0.80 1.0 0.02 0.02) = 0.087% HA TRP 67 - HN GLU- 6 11.111% * 0.0572% (0.53 1.0 0.02 0.14) = 0.057% HA VAL 61 - HN GLU- 6 11.111% * 0.0529% (0.49 1.0 0.02 0.02) = 0.053% HA1 GLY 98 - HN GLU- 6 11.111% * 0.0487% (0.45 1.0 0.02 0.02) = 0.049% HA ASN 100 - HN GLU- 6 11.111% * 0.0168% (0.15 1.0 0.02 0.02) = 0.017% HA ASN 69 - HN GLU- 6 11.111% * 0.0168% (0.15 1.0 0.02 0.31) = 0.017% HA ASN 74 - HN GLU- 6 11.111% * 0.0147% (0.14 1.0 0.02 0.02) = 0.015% Peak 686 (3.95, 8.21, 120.09 ppm): 4 chemical-shift based assignments, quality = 0.327, support = 2.35, residual support = 8.18: O HA2 GLY 5 - HN GLU- 6 25.000% * 95.5592% (0.31 10.0 2.44 8.56) = 95.559% kept HB THR 51 - HN GLU- 6 25.000% * 4.2396% (0.76 1.0 0.36 0.02) = 4.240% kept HB THR 91 - HN GLU- 6 25.000% * 0.1056% (0.34 1.0 0.02 0.02) = 0.106% HA1 GLY 27 - HN GLU- 6 25.000% * 0.0956% (0.31 1.0 0.02 0.02) = 0.096% Peak 687 (2.21, 8.21, 120.09 ppm): 7 chemical-shift based assignments, quality = 0.975, support = 3.44, residual support = 31.5: QG GLU- 6 - HN GLU- 6 14.286% * 92.0683% (1.00 3.72 34.17) = 92.068% kept QB GLU- 68 - HN GLU- 6 14.286% * 5.9540% (0.95 0.25 0.02) = 5.954% kept HB2 GLU- 77 - HN GLU- 6 14.286% * 0.4961% (1.00 0.02 0.02) = 0.496% HB2 MET 101 - HN GLU- 6 14.286% * 0.4917% (0.99 0.02 0.02) = 0.492% QG GLU- 77 - HN GLU- 6 14.286% * 0.4580% (0.92 0.02 0.02) = 0.458% HB2 LEU 42 - HN GLU- 6 14.286% * 0.4449% (0.90 0.02 0.02) = 0.445% HB2 PHE 84 - HN GLU- 6 14.286% * 0.0869% (0.18 0.02 0.02) = 0.087% Peak 688 (1.93, 8.21, 120.09 ppm): 9 chemical-shift based assignments, quality = 0.953, support = 3.81, residual support = 33.3: O QB GLU- 6 - HN GLU- 6 11.111% * 97.5511% (0.97 10.0 3.90 34.17) = 97.551% kept QG PRO 37 - HN GLU- 6 11.111% * 1.5155% (0.76 1.0 0.39 0.02) = 1.515% kept HB3 GLU- 16 - HN GLU- 6 11.111% * 0.5917% (0.98 1.0 0.12 0.02) = 0.592% HB2 LYS+ 60 - HN GLU- 6 11.111% * 0.0991% (0.98 1.0 0.02 0.02) = 0.099% HB VAL 71 - HN GLU- 6 11.111% * 0.0844% (0.84 1.0 0.02 0.02) = 0.084% HB3 TYR 31 - HN GLU- 6 11.111% * 0.0772% (0.76 1.0 0.02 0.02) = 0.077% HB3 ARG+ 53 - HN GLU- 6 11.111% * 0.0453% (0.45 1.0 0.02 0.02) = 0.045% HB2 LYS+ 17 - HN GLU- 6 11.111% * 0.0200% (0.20 1.0 0.02 0.02) = 0.020% HB3 GLU- 77 - HN GLU- 6 11.111% * 0.0156% (0.15 1.0 0.02 0.02) = 0.016% Peak 689 (1.37, 8.21, 120.09 ppm): 7 chemical-shift based assignments, quality = 0.82, support = 0.502, residual support = 0.12: HG2 ARG+ 88 - HN GLU- 6 14.286% * 34.4889% (0.92 0.56 0.13) = 34.489% kept QG LYS+ 55 - HN GLU- 6 14.286% * 33.0082% (0.87 0.58 0.21) = 33.008% kept HG2 LYS+ 17 - HN GLU- 6 14.286% * 18.9281% (0.98 0.29 0.02) = 18.928% kept QB ALA 34 - HN GLU- 6 14.286% * 6.5167% (0.31 0.32 0.02) = 6.517% kept HG LEU 63 - HN GLU- 6 14.286% * 6.4664% (0.15 0.63 0.02) = 6.466% kept QG LYS+ 60 - HN GLU- 6 14.286% * 0.3299% (0.25 0.02 0.02) = 0.330% QB ALA 2 - HN GLU- 6 14.286% * 0.2619% (0.20 0.02 0.23) = 0.262% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 690 (0.95, 8.21, 120.09 ppm): 6 chemical-shift based assignments, quality = 0.89, support = 1.91, residual support = 2.46: QG2 VAL 52 - HN GLU- 6 16.667% * 49.9002% (0.97 2.88 4.42) = 49.900% kept HB3 ARG+ 48 - HN GLU- 6 16.667% * 17.9782% (0.99 1.01 0.63) = 17.978% kept QG2 ILE 14 - HN GLU- 6 16.667% * 14.2186% (0.65 1.22 0.85) = 14.219% kept QD2 LEU 82 - HN GLU- 6 16.667% * 11.6090% (0.84 0.77 0.12) = 11.609% kept HG3 LYS+ 56 - HN GLU- 6 16.667% * 5.9970% (0.69 0.49 0.02) = 5.997% kept QD1 LEU 26 - HN GLU- 6 16.667% * 0.2969% (0.20 0.08 0.02) = 0.297% Peak 691 (0.49, 8.21, 120.09 ppm): 1 chemical-shift based assignment, quality = 0.375, support = 3.51, residual support = 23.9: QG2 VAL 7 - HN GLU- 6 100.000% *100.0000% (0.38 3.51 23.90) = 100.000% kept Peak 692 (0.29, 8.21, 120.09 ppm): 1 chemical-shift based assignment, quality = 0.411, support = 3.49, residual support = 23.9: QG1 VAL 7 - HN GLU- 6 100.000% *100.0000% (0.41 3.49 23.90) = 100.000% kept Peak 693 (4.84, 8.30, 118.30 ppm): 1 chemical-shift based assignment, quality = 0.375, support = 0.512, residual support = 0.696: HA TRP 50 - HN VAL 7 100.000% *100.0000% (0.38 0.51 0.70) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 694 (4.61, 8.30, 118.30 ppm): 1 chemical-shift based assignment, quality = 0.801, support = 0.02, residual support = 0.02: HA1 GLY 79 - HN VAL 7 100.000% *100.0000% (0.80 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 695 (4.44, 8.30, 118.30 ppm): 5 chemical-shift based assignments, quality = 0.887, support = 3.78, residual support = 23.6: O HA GLU- 6 - HN VAL 7 20.000% * 98.5473% (0.90 10.0 3.82 23.90) = 98.547% kept HA TYR 31 - HN VAL 7 20.000% * 1.1457% (0.28 1.0 0.75 1.50) = 1.146% kept HA TRP 67 - HN VAL 7 20.000% * 0.1077% (0.98 1.0 0.02 1.30) = 0.108% HA1 GLY 98 - HN VAL 7 20.000% * 0.1039% (0.95 1.0 0.02 0.02) = 0.104% HB THR 64 - HN VAL 7 20.000% * 0.0953% (0.87 1.0 0.02 2.92) = 0.095% Peak 697 (2.19, 8.30, 118.30 ppm): 9 chemical-shift based assignments, quality = 0.686, support = 3.69, residual support = 18.0: QG GLU- 6 - HN VAL 7 11.111% * 71.6111% (0.69 4.95 23.90) = 71.611% kept QB GLU- 68 - HN VAL 7 11.111% * 13.2963% (0.84 0.76 6.61) = 13.296% kept HB2 PHE 84 - HN VAL 7 11.111% * 5.5438% (0.65 0.41 0.02) = 5.544% kept HB2 GLU- 77 - HN VAL 7 11.111% * 3.2676% (0.65 0.24 0.02) = 3.268% kept HB2 LEU 82 - HN VAL 7 11.111% * 2.2144% (0.34 0.31 0.10) = 2.214% kept HB2 MET 101 - HN VAL 7 11.111% * 2.0721% (0.57 0.17 0.02) = 2.072% kept QG GLU- 77 - HN VAL 7 11.111% * 1.5433% (0.41 0.18 0.02) = 1.543% kept HB2 LEU 42 - HN VAL 7 11.111% * 0.3777% (0.90 0.02 0.02) = 0.378% HB2 GLU- 59 - HN VAL 7 11.111% * 0.0738% (0.18 0.02 0.02) = 0.074% Peak 698 (1.90, 8.30, 118.30 ppm): 6 chemical-shift based assignments, quality = 0.863, support = 4.96, residual support = 78.4: O HB VAL 7 - HN VAL 7 16.667% * 98.2315% (0.87 10.0 5.05 79.82) = 98.231% kept QB LYS+ 80 - HN VAL 7 16.667% * 1.2044% (0.90 1.0 0.24 0.11) = 1.204% kept QB PHE 70 - HN VAL 7 16.667% * 0.2988% (0.69 1.0 0.08 4.11) = 0.299% HB2 LYS+ 17 - HN VAL 7 16.667% * 0.1130% (1.00 1.0 0.02 0.02) = 0.113% HB3 GLU- 59 - HN VAL 7 16.667% * 0.1016% (0.90 1.0 0.02 0.02) = 0.102% HB VAL 71 - HN VAL 7 16.667% * 0.0508% (0.45 1.0 0.02 0.59) = 0.051% Peak 699 (0.95, 8.30, 118.30 ppm): 6 chemical-shift based assignments, quality = 0.851, support = 2.09, residual support = 2.19: QG2 VAL 52 - HN VAL 7 16.667% * 36.5859% (0.97 2.78 3.22) = 36.586% kept QG2 ILE 14 - HN VAL 7 16.667% * 22.5721% (0.65 2.56 2.96) = 22.572% kept HB3 ARG+ 48 - HN VAL 7 16.667% * 20.6013% (0.99 1.52 1.59) = 20.601% kept QD2 LEU 82 - HN VAL 7 16.667% * 10.1512% (0.84 0.89 0.10) = 10.151% kept HG3 LYS+ 56 - HN VAL 7 16.667% * 9.1406% (0.69 0.98 0.10) = 9.141% kept QD1 LEU 26 - HN VAL 7 16.667% * 0.9489% (0.20 0.35 0.02) = 0.949% Peak 700 (0.50, 8.30, 118.30 ppm): 1 chemical-shift based assignment, quality = 0.897, support = 5.6, residual support = 79.8: QG2 VAL 7 - HN VAL 7 100.000% *100.0000% (0.90 5.60 79.82) = 100.000% kept Peak 701 (0.29, 8.30, 118.30 ppm): 1 chemical-shift based assignment, quality = 0.411, support = 5.62, residual support = 79.8: QG1 VAL 7 - HN VAL 7 100.000% *100.0000% (0.41 5.62 79.82) = 100.000% kept Peak 702 (3.14, 8.30, 118.30 ppm): 5 chemical-shift based assignments, quality = 0.829, support = 1.72, residual support = 5.7: HB3 TYR 86 - HN VAL 7 20.000% * 42.9134% (0.80 2.40 11.88) = 42.913% kept HD2 ARG+ 48 - HN VAL 7 20.000% * 31.6595% (0.90 1.58 1.59) = 31.660% kept HB2 PHE 13 - HN VAL 7 20.000% * 14.0725% (0.95 0.67 0.39) = 14.073% kept QB HIS 99 - HN VAL 7 20.000% * 11.2433% (0.61 0.83 0.39) = 11.243% kept HB3 TRP 67 - HN VAL 7 20.000% * 0.1112% (0.25 0.02 1.30) = 0.111% Peak 703 (3.24, 8.30, 118.30 ppm): 1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 4.46: HD2 ARG+ 88 - HN VAL 7 100.000% *100.0000% (0.87 0.02 4.46) = 100.000% kept Peak 704 (7.02, 8.30, 118.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 705 (7.13, 8.30, 118.30 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 0.02, residual support = 0.02: HN PHE 32 - HN VAL 7 100.000% *100.0000% (0.73 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 706 (8.65, 8.30, 118.30 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 5.8, residual support = 55.9: T HN GLN 8 - HN VAL 7 100.000% *100.0000% (0.61 10.00 5.80 55.85) = 100.000% kept Peak 707 (9.62, 8.30, 118.30 ppm): 3 chemical-shift based assignments, quality = 0.709, support = 2.79, residual support = 10.8: T HN TYR 86 - HN VAL 7 33.333% * 90.1898% (0.69 10.00 2.97 11.88) = 90.190% kept HN ILE 85 - HN VAL 7 33.333% * 8.5009% (1.00 1.00 1.30 0.32) = 8.501% kept HN VAL 52 - HN VAL 7 33.333% * 1.3092% (0.38 1.00 0.53 3.22) = 1.309% kept Peak 708 (8.32, 8.64, 119.17 ppm): 5 chemical-shift based assignments, quality = 0.526, support = 5.26, residual support = 49.6: T HN VAL 7 - HN GLN 8 20.000% * 88.6925% (0.53 10.00 5.80 55.85) = 88.692% kept HN GLY 5 - HN GLN 8 20.000% * 6.4924% (0.61 1.00 1.27 1.44) = 6.492% kept HN ALA 2 - HN GLN 8 20.000% * 2.8349% (0.41 1.00 0.82 0.02) = 2.835% kept HN ILE 24 - HN GLN 8 20.000% * 1.9382% (0.41 1.00 0.56 0.02) = 1.938% kept HN LYS+ 20 - HN GLN 8 20.000% * 0.0420% (0.25 1.00 0.02 0.29) = 0.042% Peak 709 (9.62, 8.64, 119.17 ppm): 3 chemical-shift based assignments, quality = 0.722, support = 1.99, residual support = 5.32: HN TYR 86 - HN GLN 8 33.333% * 60.3064% (0.69 2.69 6.09) = 60.306% kept HN ILE 85 - HN GLN 8 33.333% * 25.4694% (1.00 0.78 5.78) = 25.469% kept HN VAL 52 - HN GLN 8 33.333% * 14.2242% (0.38 1.16 1.23) = 14.224% kept Peak 710 (8.81, 8.64, 119.17 ppm): 2 chemical-shift based assignments, quality = 0.544, support = 1.0, residual support = 0.8: HN PHE 84 - HN GLN 8 50.000% * 61.6941% (0.73 0.77 0.69) = 61.694% kept HN ARG+ 53 - HN GLN 8 50.000% * 38.3059% (0.25 1.39 0.97) = 38.306% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 711 (7.01, 8.64, 119.17 ppm): 1 chemical-shift based assignment, quality = 0.341, support = 2.47, residual support = 2.47: HE ARG+ 90 - HN GLN 8 100.000% *100.0000% (0.34 2.47 2.47) = 100.000% kept Peak 712 (6.21, 8.64, 119.17 ppm): 1 chemical-shift based assignment, quality = 0.687, support = 5.22, residual support = 84.0: O HA GLN 8 - HN GLN 8 100.000% *100.0000% (0.69 10.0 5.22 84.04) = 100.000% kept Peak 713 (4.48, 8.64, 119.17 ppm): 8 chemical-shift based assignments, quality = 0.632, support = 5.21, residual support = 54.6: O HA VAL 7 - HN GLN 8 12.500% * 97.6957% (0.65 10.0 5.33 55.85) = 97.696% kept HA MET 1 - HN GLN 8 12.500% * 0.9841% (0.53 1.0 0.25 0.02) = 0.984% HA ASN 69 - HN GLN 8 12.500% * 0.6944% (1.00 1.0 0.09 0.60) = 0.694% HA ASN 100 - HN GLN 8 12.500% * 0.1507% (1.00 1.0 0.02 0.02) = 0.151% HA ASN 74 - HN GLN 8 12.500% * 0.1497% (0.99 1.0 0.02 0.02) = 0.150% HA LYS+ 60 - HN GLN 8 12.500% * 0.1310% (0.87 1.0 0.02 0.02) = 0.131% HA VAL 61 - HN GLN 8 12.500% * 0.1209% (0.80 1.0 0.02 0.02) = 0.121% HA TYR 31 - HN GLN 8 12.500% * 0.0735% (0.49 1.0 0.02 0.02) = 0.074% Peak 714 (2.39, 8.64, 119.17 ppm): 4 chemical-shift based assignments, quality = 0.673, support = 4.74, residual support = 69.1: O HB2 GLN 8 - HN GLN 8 25.000% * 81.1125% (0.61 10.0 5.55 84.04) = 81.112% kept HE3 LYS+ 56 - HN GLN 8 25.000% * 9.3470% (0.97 1.0 1.45 5.25) = 9.347% kept HG3 GLU- 68 - HN GLN 8 25.000% * 8.1183% (0.97 1.0 1.26 4.95) = 8.118% kept HB3 ASP- 89 - HN GLN 8 25.000% * 1.4223% (0.90 1.0 0.24 0.02) = 1.422% kept Peak 715 (2.19, 8.64, 119.17 ppm): 9 chemical-shift based assignments, quality = 0.686, support = 2.06, residual support = 1.94: QG GLU- 6 - HN GLN 8 11.111% * 43.8584% (0.69 3.30 1.30) = 43.858% kept QB GLU- 68 - HN GLN 8 11.111% * 24.1120% (0.84 1.49 4.95) = 24.112% kept HB2 PHE 84 - HN GLN 8 11.111% * 14.6149% (0.65 1.17 0.69) = 14.615% kept HB2 GLU- 77 - HN GLN 8 11.111% * 6.2302% (0.65 0.50 0.58) = 6.230% kept HB2 MET 101 - HN GLN 8 11.111% * 4.0560% (0.57 0.37 0.02) = 4.056% kept QG GLU- 77 - HN GLN 8 11.111% * 3.3604% (0.41 0.42 0.58) = 3.360% kept HB2 LEU 82 - HN GLN 8 11.111% * 3.3536% (0.34 0.51 0.65) = 3.354% kept HB2 LEU 42 - HN GLN 8 11.111% * 0.3468% (0.90 0.02 0.02) = 0.347% HB2 GLU- 59 - HN GLN 8 11.111% * 0.0677% (0.18 0.02 0.02) = 0.068% Peak 716 (1.89, 8.64, 119.17 ppm): 9 chemical-shift based assignments, quality = 0.88, support = 4.84, residual support = 50.2: HB VAL 7 - HN GLN 8 11.111% * 89.8658% (0.92 5.33 55.85) = 89.866% kept QB PHE 70 - HN GLN 8 11.111% * 4.4299% (1.00 0.24 0.48) = 4.430% kept HB3 PRO 33 - HN GLN 8 11.111% * 3.7291% (0.18 1.17 0.73) = 3.729% kept QB LYS+ 72 - HN GLN 8 11.111% * 0.8920% (0.41 0.12 0.35) = 0.892% QB LYS+ 80 - HN GLN 8 11.111% * 0.3277% (0.90 0.02 0.02) = 0.328% HB3 GLU- 59 - HN GLN 8 11.111% * 0.3277% (0.90 0.02 0.02) = 0.328% HB2 LYS+ 17 - HN GLN 8 11.111% * 0.2217% (0.61 0.02 0.15) = 0.222% QB MET 54 - HN GLN 8 11.111% * 0.1247% (0.34 0.02 0.02) = 0.125% HB3 LYS+ 11 - HN GLN 8 11.111% * 0.0814% (0.22 0.02 0.02) = 0.081% Peak 717 (0.49, 8.64, 119.17 ppm): 1 chemical-shift based assignment, quality = 0.375, support = 5.56, residual support = 55.9: QG2 VAL 7 - HN GLN 8 100.000% *100.0000% (0.38 5.56 55.85) = 100.000% kept Peak 718 (0.29, 8.64, 119.17 ppm): 1 chemical-shift based assignment, quality = 0.411, support = 5.57, residual support = 55.9: QG1 VAL 7 - HN GLN 8 100.000% *100.0000% (0.41 5.57 55.85) = 100.000% kept Peak 719 (0.95, 8.64, 119.17 ppm): 6 chemical-shift based assignments, quality = 0.792, support = 1.97, residual support = 3.18: QG2 VAL 52 - HN GLN 8 16.667% * 31.2433% (0.97 2.18 1.23) = 31.243% kept QG2 ILE 14 - HN GLN 8 16.667% * 27.0747% (0.65 2.82 6.50) = 27.075% kept HG3 LYS+ 56 - HN GLN 8 16.667% * 17.8083% (0.69 1.75 5.25) = 17.808% kept QD2 LEU 82 - HN GLN 8 16.667% * 13.7586% (0.84 1.11 0.65) = 13.759% kept HB3 ARG+ 48 - HN GLN 8 16.667% * 7.3554% (0.99 0.50 0.02) = 7.355% kept QD1 LEU 26 - HN GLN 8 16.667% * 2.7598% (0.20 0.94 0.52) = 2.760% kept Peak 720 (6.67, 7.46, 110.90 ppm): 1 chemical-shift based assignment, quality = 0.645, support = 1.0, residual support = 84.0: O T HE22 GLN 8 - HE21 GLN 8 100.000% *100.0000% (0.65 10.0 10.00 1.00 84.04) = 100.000% kept Peak 721 (6.87, 7.46, 110.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 722 (8.65, 7.46, 110.90 ppm): 1 chemical-shift based assignment, quality = 0.605, support = 4.77, residual support = 84.0: HN GLN 8 - HE21 GLN 8 100.000% *100.0000% (0.61 4.77 84.04) = 100.000% kept Peak 723 (2.37, 7.46, 110.90 ppm): 4 chemical-shift based assignments, quality = 0.7, support = 2.48, residual support = 16.5: HE3 LYS+ 56 - HE21 GLN 8 25.000% * 45.4194% (0.80 2.40 5.25) = 45.419% kept HG3 GLU- 68 - HE21 GLN 8 25.000% * 39.4680% (0.80 2.08 4.95) = 39.468% kept HB2 GLN 8 - HE21 GLN 8 25.000% * 14.4297% (0.15 3.95 84.04) = 14.430% kept HB3 ASP- 89 - HE21 GLN 8 25.000% * 0.6828% (0.37 0.08 0.02) = 0.683% Peak 724 (2.57, 7.46, 110.90 ppm): 6 chemical-shift based assignments, quality = 0.953, support = 0.942, residual support = 4.63: HE2 LYS+ 56 - HE21 GLN 8 16.667% * 88.2005% (0.96 1.06 5.25) = 88.200% kept HB3 PHE 13 - HE21 GLN 8 16.667% * 8.3825% (0.99 0.10 0.02) = 8.382% kept HG3 MET 1 - HE21 GLN 8 16.667% * 1.3831% (0.80 0.02 0.02) = 1.383% kept HB3 TYR 81 - HE21 GLN 8 16.667% * 1.3200% (0.76 0.02 0.02) = 1.320% kept HD3 PRO 35 - HE21 GLN 8 16.667% * 0.4802% (0.28 0.02 0.02) = 0.480% HB3 ASP- 41 - HE21 GLN 8 16.667% * 0.2338% (0.14 0.02 0.02) = 0.234% Peak 725 (2.22, 7.46, 110.90 ppm): 7 chemical-shift based assignments, quality = 0.599, support = 1.58, residual support = 2.07: QB GLU- 68 - HE21 GLN 8 14.286% * 32.3203% (0.45 2.84 4.95) = 32.320% kept QG GLU- 77 - HE21 GLN 8 14.286% * 25.9216% (0.87 1.18 0.58) = 25.922% kept QG GLU- 6 - HE21 GLN 8 14.286% * 16.4254% (0.61 1.07 1.30) = 16.425% kept HB2 PRO 25 - HE21 GLN 8 14.286% * 9.4353% (0.31 1.20 0.58) = 9.435% kept HB2 GLU- 77 - HE21 GLN 8 14.286% * 8.4709% (0.65 0.52 0.58) = 8.471% kept HB2 MET 101 - HE21 GLN 8 14.286% * 6.5382% (0.72 0.35 0.02) = 6.538% kept HB2 LEU 42 - HE21 GLN 8 14.286% * 0.8884% (0.37 0.09 0.02) = 0.888% Peak 726 (1.83, 7.46, 110.90 ppm): 9 chemical-shift based assignments, quality = 0.855, support = 0.482, residual support = 0.354: HD3 PRO 25 - HE21 GLN 8 11.111% * 40.6764% (0.98 0.65 0.58) = 40.676% kept HB ILE 24 - HE21 GLN 8 11.111% * 25.0390% (0.94 0.42 0.02) = 25.039% kept QE MET 10 - HE21 GLN 8 11.111% * 22.3800% (0.80 0.44 0.19) = 22.380% kept HG2 ARG+ 53 - HE21 GLN 8 11.111% * 4.1760% (0.49 0.14 0.97) = 4.176% kept HG LEU 42 - HE21 GLN 8 11.111% * 2.6535% (0.45 0.09 0.02) = 2.653% kept HG3 PRO 33 - HE21 GLN 8 11.111% * 2.0688% (0.31 0.11 0.73) = 2.069% kept HB3 PRO 33 - HE21 GLN 8 11.111% * 1.9381% (0.17 0.17 0.73) = 1.938% kept HB3 ARG+ 90 - HE21 GLN 8 11.111% * 0.8722% (0.69 0.02 2.47) = 0.872% HB3 LYS+ 17 - HE21 GLN 8 11.111% * 0.1959% (0.15 0.02 0.15) = 0.196% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 727 (1.54, 7.46, 110.90 ppm): 3 chemical-shift based assignments, quality = 0.444, support = 0.429, residual support = 0.359: HG3 PRO 25 - HE21 GLN 8 33.333% * 41.6669% (0.25 0.65 0.58) = 41.667% kept HG2 LYS+ 72 - HE21 GLN 8 33.333% * 32.1869% (0.31 0.40 0.35) = 32.187% kept HG2 GLU- 23 - HE21 GLN 8 33.333% * 26.1462% (0.92 0.11 0.02) = 26.146% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 728 (0.88, 7.46, 110.90 ppm): 5 chemical-shift based assignments, quality = 0.664, support = 1.12, residual support = 4.25: QD1 ILE 85 - HE21 GLN 8 20.000% * 40.7282% (0.76 1.38 5.78) = 40.728% kept QD1 ILE 95 - HE21 GLN 8 20.000% * 25.6306% (0.80 0.83 5.29) = 25.631% kept QD2 LEU 26 - HE21 GLN 8 20.000% * 18.2087% (0.37 1.26 0.52) = 18.209% kept QD2 LEU 43 - HE21 GLN 8 20.000% * 15.2399% (0.52 0.75 2.91) = 15.240% kept QG2 VAL 40 - HE21 GLN 8 20.000% * 0.1926% (0.25 0.02 0.02) = 0.193% Peak 729 (0.98, 7.46, 110.90 ppm): 10 chemical-shift based assignments, quality = 0.727, support = 2.56, residual support = 4.84: QG2 ILE 85 - HE21 GLN 8 10.000% * 34.2115% (0.98 2.61 5.78) = 34.212% kept HG3 LYS+ 56 - HE21 GLN 8 10.000% * 30.8773% (0.61 3.80 5.25) = 30.877% kept QG2 ILE 14 - HE21 GLN 8 10.000% * 17.9540% (0.65 2.07 6.50) = 17.954% kept QG2 THR 64 - HE21 GLN 8 10.000% * 6.0411% (0.80 0.56 0.02) = 6.041% kept QD2 LEU 82 - HE21 GLN 8 10.000% * 5.6982% (0.45 0.95 0.65) = 5.698% kept QG2 VAL 52 - HE21 GLN 8 10.000% * 3.2293% (0.28 0.87 1.23) = 3.229% kept HG LEU 76 - HE21 GLN 8 10.000% * 1.3876% (0.52 0.20 0.02) = 1.388% kept HB3 ARG+ 48 - HE21 GLN 8 10.000% * 0.3689% (0.22 0.12 0.02) = 0.369% QG1 VAL 40 - HE21 GLN 8 10.000% * 0.1408% (0.52 0.02 0.02) = 0.141% QD1 ILE 38 - HE21 GLN 8 10.000% * 0.0913% (0.34 0.02 0.02) = 0.091% Peak 730 (6.90, 6.66, 110.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 731 (7.47, 6.66, 110.90 ppm): 8 chemical-shift based assignments, quality = 0.727, support = 0.966, residual support = 79.8: O T HE21 GLN 8 - HE22 GLN 8 12.500% * 94.8922% (0.72 10.0 10.00 1.00 84.04) = 94.892% kept HN LEU 76 - HE22 GLN 8 12.500% * 2.8490% (0.98 1.0 1.00 0.44 0.02) = 2.849% kept HN GLU- 30 - HE22 GLN 8 12.500% * 1.0482% (0.83 1.0 1.00 0.19 0.02) = 1.048% kept HN TYR 31 - HE22 GLN 8 12.500% * 1.0280% (0.76 1.0 1.00 0.21 0.02) = 1.028% kept HN THR 39 - HE22 GLN 8 12.500% * 0.0688% (0.52 1.0 1.00 0.02 0.02) = 0.069% HN VAL 71 - HE22 GLN 8 12.500% * 0.0490% (0.37 1.0 1.00 0.02 0.02) = 0.049% HN LYS+ 60 - HE22 GLN 8 12.500% * 0.0446% (0.34 1.0 1.00 0.02 0.02) = 0.045% HD21 ASN 75 - HE22 GLN 8 12.500% * 0.0202% (0.15 1.0 1.00 0.02 0.02) = 0.020% Peak 732 (2.37, 6.66, 110.90 ppm): 4 chemical-shift based assignments, quality = 0.678, support = 1.67, residual support = 19.0: HE3 LYS+ 56 - HE22 GLN 8 25.000% * 43.4554% (0.79 1.45 5.25) = 43.455% kept HG3 GLU- 68 - HE22 GLN 8 25.000% * 38.5972% (0.79 1.29 4.95) = 38.597% kept HB2 GLN 8 - HE22 GLN 8 25.000% * 17.6671% (0.15 3.07 84.04) = 17.667% kept HB3 ASP- 89 - HE22 GLN 8 25.000% * 0.2804% (0.37 0.02 0.02) = 0.280% Peak 733 (2.22, 6.66, 110.90 ppm): 7 chemical-shift based assignments, quality = 0.635, support = 1.06, residual support = 1.79: QG GLU- 77 - HE22 GLN 8 14.286% * 29.9763% (0.86 1.05 0.58) = 29.976% kept QB GLU- 68 - HE22 GLN 8 14.286% * 27.0239% (0.44 1.84 4.95) = 27.024% kept QG GLU- 6 - HE22 GLN 8 14.286% * 15.8394% (0.60 0.80 1.30) = 15.839% kept HB2 GLU- 77 - HE22 GLN 8 14.286% * 10.8571% (0.64 0.51 0.58) = 10.857% kept HB2 MET 101 - HE22 GLN 8 14.286% * 9.2845% (0.72 0.39 0.02) = 9.284% kept HB2 LEU 42 - HE22 GLN 8 14.286% * 5.8419% (0.37 0.47 0.02) = 5.842% kept HB2 PRO 25 - HE22 GLN 8 14.286% * 1.1770% (0.31 0.12 0.58) = 1.177% kept Peak 734 (0.89, 6.66, 110.90 ppm): 4 chemical-shift based assignments, quality = 0.726, support = 1.65, residual support = 4.43: QD1 ILE 85 - HE22 GLN 8 25.000% * 50.4384% (0.97 1.51 5.78) = 50.438% kept QD1 ILE 95 - HE22 GLN 8 25.000% * 26.3741% (0.28 2.78 5.29) = 26.374% kept QD2 LEU 26 - HE22 GLN 8 25.000% * 17.3499% (0.89 0.57 0.52) = 17.350% kept QD1 LEU 26 - HE22 GLN 8 25.000% * 5.8376% (0.15 1.11 0.52) = 5.838% kept Peak 735 (0.99, 6.66, 110.90 ppm): 7 chemical-shift based assignments, quality = 0.616, support = 1.77, residual support = 5.03: QG2 ILE 85 - HE22 GLN 8 14.286% * 60.7524% (0.76 2.01 5.78) = 60.752% kept HG3 LYS+ 56 - HE22 GLN 8 14.286% * 13.8116% (0.15 2.26 5.25) = 13.812% kept QG2 ILE 14 - HE22 GLN 8 14.286% * 12.1839% (0.17 1.76 6.50) = 12.184% kept HG LEU 76 - HE22 GLN 8 14.286% * 8.5852% (0.97 0.22 0.02) = 8.585% kept QG2 THR 64 - HE22 GLN 8 14.286% * 3.2025% (0.96 0.08 0.02) = 3.203% kept QG1 VAL 40 - HE22 GLN 8 14.286% * 0.7769% (0.97 0.02 0.02) = 0.777% QD1 ILE 38 - HE22 GLN 8 14.286% * 0.6875% (0.86 0.02 0.02) = 0.687% Peak 736 (8.79, 8.55, 115.02 ppm): 2 chemical-shift based assignments, quality = 0.566, support = 2.38, residual support = 3.04: HN ARG+ 53 - HN PHE 9 50.000% * 63.3344% (0.76 1.75 2.63) = 63.334% kept HN PHE 84 - HN PHE 9 50.000% * 36.6656% (0.22 3.48 3.73) = 36.666% kept Peak 737 (9.63, 8.55, 115.02 ppm): 3 chemical-shift based assignments, quality = 0.563, support = 1.27, residual support = 1.07: HN ILE 85 - HN PHE 9 33.333% * 39.3254% (0.61 0.97 0.71) = 39.325% kept HN TYR 86 - HN PHE 9 33.333% * 31.4612% (0.20 2.38 1.37) = 31.461% kept HN VAL 52 - HN PHE 9 33.333% * 29.2134% (0.90 0.49 1.22) = 29.213% kept Peak 738 (7.30, 8.55, 115.02 ppm): 1 chemical-shift based assignment, quality = 0.341, support = 0.621, residual support = 0.621: HE21 GLN 83 - HN PHE 9 100.000% *100.0000% (0.34 0.62 0.62) = 100.000% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 739 (7.15, 8.55, 115.02 ppm): 1 chemical-shift based assignment, quality = 0.991, support = 0.477, residual support = 0.477: HN PHE 32 - HN PHE 9 100.000% *100.0000% (0.99 0.48 0.48) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 740 (6.99, 8.55, 115.02 ppm): 2 chemical-shift based assignments, quality = 0.772, support = 0.22, residual support = 0.167: HE ARG+ 90 - HN PHE 9 50.000% * 82.9784% (0.87 0.24 0.20) = 82.978% kept HN PHE 70 - HN PHE 9 50.000% * 17.0216% (0.31 0.14 0.02) = 17.022% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 741 (6.20, 8.55, 115.02 ppm): 1 chemical-shift based assignment, quality = 0.198, support = 3.48, residual support = 12.7: O HA GLN 8 - HN PHE 9 100.000% *100.0000% (0.20 10.0 3.48 12.72) = 100.000% kept Peak 742 (5.83, 8.55, 115.02 ppm): 2 chemical-shift based assignments, quality = 0.979, support = 2.09, residual support = 20.0: HA MET 10 - HN PHE 9 50.000% * 99.8298% (0.98 2.10 20.08) = 99.830% kept HA PHE 92 - HN PHE 9 50.000% * 0.1702% (0.18 0.02 0.02) = 0.170% Peak 743 (5.04, 8.55, 115.02 ppm): 3 chemical-shift based assignments, quality = 0.681, support = 4.12, residual support = 25.5: O HA PHE 9 - HN PHE 9 33.333% * 99.2004% (0.69 10.0 4.15 25.66) = 99.200% kept HA VAL 94 - HN PHE 9 33.333% * 0.7403% (0.95 1.0 0.11 0.02) = 0.740% HA LEU 63 - HN PHE 9 33.333% * 0.0594% (0.41 1.0 0.02 0.02) = 0.059% Peak 744 (4.72, 8.55, 115.02 ppm): 5 chemical-shift based assignments, quality = 0.704, support = 1.72, residual support = 1.44: HA ARG+ 53 - HN PHE 9 20.000% * 50.1731% (0.73 2.28 2.63) = 50.173% kept HA ALA 34 - HN PHE 9 20.000% * 29.0837% (0.57 1.69 0.40) = 29.084% kept HA LYS+ 20 - HN PHE 9 20.000% * 10.9888% (0.73 0.50 0.02) = 10.989% kept HA HIS 99 - HN PHE 9 20.000% * 9.6191% (0.99 0.32 0.02) = 9.619% kept HA PRO 37 - HN PHE 9 20.000% * 0.1352% (0.22 0.02 0.02) = 0.135% Peak 745 (2.97, 8.55, 115.02 ppm): 9 chemical-shift based assignments, quality = 0.419, support = 3.46, residual support = 23.8: O HB3 PHE 9 - HN PHE 9 11.111% * 92.7521% (0.41 10.0 3.70 25.66) = 92.752% kept QE LYS+ 72 - HN PHE 9 11.111% * 2.4005% (0.28 1.0 0.77 1.56) = 2.401% kept QE LYS+ 55 - HN PHE 9 11.111% * 2.3765% (0.80 1.0 0.26 0.02) = 2.377% kept HB2 ASP- 89 - HN PHE 9 11.111% * 1.6755% (0.69 1.0 0.22 0.02) = 1.675% kept HD3 ARG+ 88 - HN PHE 9 11.111% * 0.2211% (0.98 1.0 0.02 0.02) = 0.221% HD3 ARG+ 48 - HN PHE 9 11.111% * 0.2134% (0.95 1.0 0.02 0.02) = 0.213% HE3 LYS+ 60 - HN PHE 9 11.111% * 0.1724% (0.76 1.0 0.02 0.02) = 0.172% QE LYS+ 17 - HN PHE 9 11.111% * 0.1187% (0.53 1.0 0.02 0.02) = 0.119% QE LYS+ 11 - HN PHE 9 11.111% * 0.0696% (0.31 1.0 0.02 0.02) = 0.070% Peak 746 (2.36, 8.55, 115.02 ppm): 3 chemical-shift based assignments, quality = 0.278, support = 1.18, residual support = 1.72: HB2 PRO 33 - HN PHE 9 33.333% * 72.3090% (0.28 1.52 2.20) = 72.309% kept HG3 GLU- 68 - HN PHE 9 33.333% * 14.0409% (0.28 0.29 0.91) = 14.041% kept HE3 LYS+ 56 - HN PHE 9 33.333% * 13.6501% (0.28 0.29 0.02) = 13.650% kept Peak 747 (2.16, 8.55, 115.02 ppm): 7 chemical-shift based assignments, quality = 0.665, support = 2.62, residual support = 7.83: QG GLN 8 - HN PHE 9 14.286% * 53.4550% (0.73 3.61 12.72) = 53.455% kept HB2 PHE 84 - HN PHE 9 14.286% * 25.9966% (0.65 1.97 3.73) = 25.997% kept HB2 LEU 82 - HN PHE 9 14.286% * 8.7963% (0.92 0.47 0.02) = 8.796% kept HB ILE 85 - HN PHE 9 14.286% * 7.0931% (0.22 1.56 0.71) = 7.093% kept HB2 ASN 74 - HN PHE 9 14.286% * 4.1704% (0.28 0.74 0.14) = 4.170% kept HB2 GLU- 59 - HN PHE 9 14.286% * 0.4079% (1.00 0.02 0.02) = 0.408% HB3 MET 101 - HN PHE 9 14.286% * 0.0807% (0.20 0.02 0.02) = 0.081% Peak 748 (1.84, 8.55, 115.02 ppm): 9 chemical-shift based assignments, quality = 0.81, support = 1.69, residual support = 8.05: QE MET 10 - HN PHE 9 11.111% * 35.9041% (0.97 2.60 20.08) = 35.904% kept HG3 PRO 33 - HN PHE 9 11.111% * 19.7524% (0.84 1.65 2.20) = 19.752% kept HB3 PRO 33 - HN PHE 9 11.111% * 14.0667% (0.65 1.52 2.20) = 14.067% kept HB3 ARG+ 90 - HN PHE 9 11.111% * 10.3980% (1.00 0.73 0.20) = 10.398% kept HD3 PRO 25 - HN PHE 9 11.111% * 6.5875% (0.76 0.60 0.02) = 6.587% kept QB LYS+ 72 - HN PHE 9 11.111% * 4.8727% (0.34 1.00 1.56) = 4.873% kept QB MET 54 - HN PHE 9 11.111% * 4.6324% (0.41 0.79 0.02) = 4.632% kept HB3 LYS+ 11 - HN PHE 9 11.111% * 3.0815% (0.57 0.38 0.02) = 3.082% kept HB ILE 24 - HN PHE 9 11.111% * 0.7048% (0.45 0.11 0.02) = 0.705% Peak 749 (1.48, 8.55, 115.02 ppm): 6 chemical-shift based assignments, quality = 0.804, support = 1.31, residual support = 2.97: HB3 PHE 84 - HN PHE 9 16.667% * 72.3670% (0.92 1.60 3.73) = 72.367% kept HG3 LYS+ 72 - HN PHE 9 16.667% * 17.1563% (0.45 0.78 1.56) = 17.156% kept HG12 ILE 95 - HN PHE 9 16.667% * 8.1877% (0.73 0.23 0.02) = 8.188% kept HG2 ARG+ 48 - HN PHE 9 16.667% * 0.9448% (0.97 0.02 0.02) = 0.945% HB3 GLU- 23 - HN PHE 9 16.667% * 0.7109% (0.73 0.02 0.02) = 0.711% HG3 LYS+ 17 - HN PHE 9 16.667% * 0.6333% (0.65 0.02 0.02) = 0.633% Peak 750 (0.92, 8.55, 115.02 ppm): 3 chemical-shift based assignments, quality = 0.757, support = 0.936, residual support = 1.38: QD1 LEU 26 - HN PHE 9 33.333% * 61.4845% (1.00 0.75 1.39) = 61.484% kept QD2 LEU 26 - HN PHE 9 33.333% * 38.2929% (0.38 1.24 1.39) = 38.293% kept HB3 ARG+ 48 - HN PHE 9 33.333% * 0.2226% (0.14 0.02 0.02) = 0.223% Peak 751 (9.54, 8.74, 120.22 ppm): 1 chemical-shift based assignment, quality = 0.249, support = 0.781, residual support = 1.98: T HN PHE 92 - HN MET 10 100.000% *100.0000% (0.25 10.00 0.78 1.98) = 100.000% kept Peak 752 (6.92, 8.74, 120.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 753 (6.10, 8.74, 120.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 754 (5.82, 8.74, 120.22 ppm): 1 chemical-shift based assignment, quality = 0.526, support = 4.19, residual support = 62.2: O HA MET 10 - HN MET 10 100.000% *100.0000% (0.53 10.0 4.19 62.24) = 100.000% kept Peak 755 (5.00, 8.74, 120.22 ppm): 2 chemical-shift based assignments, quality = 0.154, support = 3.75, residual support = 20.0: O HA PHE 9 - HN MET 10 50.000% * 99.7794% (0.15 10.0 3.75 20.08) = 99.779% kept HA LEU 63 - HN MET 10 50.000% * 0.2206% (0.34 1.0 0.02 0.02) = 0.221% Peak 756 (3.08, 8.74, 120.22 ppm): 3 chemical-shift based assignments, quality = 0.717, support = 2.59, residual support = 16.1: HB2 PHE 9 - HN MET 10 33.333% * 77.9536% (0.65 3.16 20.08) = 77.954% kept HB2 PHE 92 - HN MET 10 33.333% * 21.4931% (0.99 0.57 1.98) = 21.493% kept QB PHE 32 - HN MET 10 33.333% * 0.5532% (0.73 0.02 0.02) = 0.553% Peak 758 (2.95, 8.74, 120.22 ppm): 8 chemical-shift based assignments, quality = 0.77, support = 3.08, residual support = 15.9: HB3 PHE 9 - HN MET 10 12.500% * 76.3305% (0.87 3.51 20.08) = 76.331% kept QE LYS+ 55 - HN MET 10 12.500% * 22.2139% (0.49 1.82 2.65) = 22.214% kept QE LYS+ 17 - HN MET 10 12.500% * 0.3832% (0.76 0.02 0.02) = 0.383% HB2 ASP- 89 - HN MET 10 12.500% * 0.3041% (0.61 0.02 0.02) = 0.304% HE3 LYS+ 60 - HN MET 10 12.500% * 0.2638% (0.53 0.02 0.02) = 0.264% QB ASN 29 - HN MET 10 12.500% * 0.2248% (0.45 0.02 0.02) = 0.225% HD3 ARG+ 48 - HN MET 10 12.500% * 0.1547% (0.31 0.02 0.02) = 0.155% HD3 ARG+ 88 - HN MET 10 12.500% * 0.1250% (0.25 0.02 0.02) = 0.125% Peak 759 (2.62, 8.74, 120.22 ppm): 8 chemical-shift based assignments, quality = 0.35, support = 3.33, residual support = 49.3: HG3 MET 10 - HN MET 10 12.500% * 44.2532% (0.31 3.92 62.24) = 44.253% kept HG2 MET 10 - HN MET 10 12.500% * 34.9549% (0.22 4.29 62.24) = 34.955% kept HB2 ASP- 41 - HN MET 10 12.500% * 7.8537% (0.92 0.23 0.02) = 7.854% kept HD2 PRO 25 - HN MET 10 12.500% * 5.9745% (0.14 1.21 0.30) = 5.974% kept HA VAL 71 - HN MET 10 12.500% * 4.0369% (0.98 0.11 0.02) = 4.037% kept HG2 MET 1 - HN MET 10 12.500% * 2.5787% (0.61 0.12 0.02) = 2.579% kept HB3 ASN 100 - HN MET 10 12.500% * 0.2034% (0.28 0.02 0.02) = 0.203% QG MET 101 - HN MET 10 12.500% * 0.1448% (0.20 0.02 0.02) = 0.145% Peak 760 (2.14, 8.74, 120.22 ppm): 7 chemical-shift based assignments, quality = 0.92, support = 4.23, residual support = 57.7: O QB MET 10 - HN MET 10 14.286% * 92.6408% (0.95 10.0 4.46 62.24) = 92.641% kept QG GLN 8 - HN MET 10 14.286% * 5.1550% (0.57 1.0 1.86 0.19) = 5.155% kept HB ILE 85 - HN MET 10 14.286% * 1.4785% (0.99 1.0 0.30 0.02) = 1.479% kept HB2 ASN 74 - HN MET 10 14.286% * 0.5774% (0.97 1.0 0.12 4.79) = 0.577% HB3 MET 101 - HN MET 10 14.286% * 0.0977% (1.00 1.0 0.02 0.02) = 0.098% HB2 MET 1 - HN MET 10 14.286% * 0.0334% (0.34 1.0 0.02 0.02) = 0.033% HB2 GLU- 59 - HN MET 10 14.286% * 0.0172% (0.18 1.0 0.02 0.02) = 0.017% Peak 761 (1.79, 8.74, 120.22 ppm): 10 chemical-shift based assignments, quality = 0.878, support = 1.6, residual support = 2.41: HD2 LYS+ 55 - HN MET 10 10.000% * 44.0087% (0.99 1.90 2.65) = 44.009% kept HG LEU 82 - HN MET 10 10.000% * 35.9155% (1.00 1.54 2.73) = 35.916% kept HB2 LYS+ 55 - HN MET 10 10.000% * 9.7803% (0.22 1.88 2.65) = 9.780% kept HB3 LYS+ 17 - HN MET 10 10.000% * 4.5687% (0.69 0.28 0.02) = 4.569% kept HG3 ARG+ 53 - HN MET 10 10.000% * 2.6079% (0.92 0.12 0.02) = 2.608% kept HG2 ARG+ 53 - HN MET 10 10.000% * 2.2164% (0.28 0.34 0.02) = 2.216% kept HB3 LYS+ 20 - HN MET 10 10.000% * 0.4189% (0.90 0.02 0.02) = 0.419% HB ILE 95 - HN MET 10 10.000% * 0.2094% (0.45 0.02 0.02) = 0.209% HG LEU 42 - HN MET 10 10.000% * 0.1442% (0.31 0.02 0.02) = 0.144% HB VAL 61 - HN MET 10 10.000% * 0.1299% (0.28 0.02 0.02) = 0.130% Peak 762 (1.54, 8.74, 120.22 ppm): 3 chemical-shift based assignments, quality = 0.338, support = 0.345, residual support = 0.225: HG3 PRO 25 - HN MET 10 33.333% * 72.0700% (0.25 0.46 0.30) = 72.070% kept HG2 LYS+ 72 - HN MET 10 33.333% * 16.2524% (0.31 0.08 0.02) = 16.252% kept HG2 GLU- 23 - HN MET 10 33.333% * 11.6776% (0.92 0.02 0.02) = 11.678% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 763 (0.91, 8.74, 120.22 ppm): 3 chemical-shift based assignments, quality = 0.751, support = 1.47, residual support = 1.85: QD2 LEU 26 - HN MET 10 33.333% * 52.5541% (0.90 1.56 2.07) = 52.554% kept QD1 LEU 26 - HN MET 10 33.333% * 36.7825% (0.61 1.61 2.07) = 36.782% kept QD1 ILE 85 - HN MET 10 33.333% * 10.6634% (0.53 0.54 0.02) = 10.663% kept Peak 764 (9.31, 9.51, 124.36 ppm): 1 chemical-shift based assignment, quality = 0.154, support = 2.91, residual support = 3.43: HN LEU 43 - HN PHE 92 100.000% *100.0000% (0.15 2.91 3.43) = 100.000% kept Not enough quality. Peak unassigned. Peak 765 (8.74, 9.51, 124.36 ppm): 6 chemical-shift based assignments, quality = 0.963, support = 0.738, residual support = 1.83: T HN MET 10 - HN PHE 92 16.667% * 92.0475% (1.00 10.00 0.78 1.98) = 92.048% kept HN GLY 27 - HN PHE 92 16.667% * 2.7361% (1.00 1.00 0.23 0.02) = 2.736% kept HN THR 64 - HN PHE 92 16.667% * 1.7504% (0.41 1.00 0.36 0.02) = 1.750% kept HN LYS+ 56 - HN PHE 92 16.667% * 1.3681% (0.25 1.00 0.46 0.02) = 1.368% kept T HN LEU 82 - HN PHE 92 16.667% * 1.2424% (0.53 10.00 0.02 0.02) = 1.242% kept HN PHE 13 - HN PHE 92 16.667% * 0.8554% (0.95 1.00 0.08 0.02) = 0.855% Peak 766 (8.88, 9.51, 124.36 ppm): 3 chemical-shift based assignments, quality = 0.6, support = 0.469, residual support = 0.335: T HN LEU 63 - HN PHE 92 33.333% * 56.9688% (0.34 10.00 0.28 0.36) = 56.969% kept HN PHE 62 - HN PHE 92 33.333% * 42.0267% (0.95 1.00 0.74 0.31) = 42.027% kept HN GLY 79 - HN PHE 92 33.333% * 1.0046% (0.84 1.00 0.02 0.02) = 1.005% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 767 (7.12, 9.51, 124.36 ppm): 2 chemical-shift based assignments, quality = 0.23, support = 1.46, residual support = 3.42: HN PHE 32 - HN PHE 92 50.000% * 97.1675% (0.22 1.50 3.52) = 97.167% kept HD22 ASN 69 - HN PHE 92 50.000% * 2.8325% (0.49 0.02 0.02) = 2.833% kept Peak 770 (5.83, 9.51, 124.36 ppm): 2 chemical-shift based assignments, quality = 0.43, support = 2.5, residual support = 16.9: O HA PHE 92 - HN PHE 92 50.000% * 68.3526% (0.18 10.0 2.90 23.74) = 68.353% kept HA MET 10 - HN PHE 92 50.000% * 31.6474% (0.98 1.0 1.65 1.98) = 31.647% kept Peak 771 (5.36, 9.51, 124.36 ppm): 2 chemical-shift based assignments, quality = 0.576, support = 3.27, residual support = 9.58: O HA THR 91 - HN PHE 92 50.000% * 87.1921% (0.57 10.0 3.37 8.39) = 87.192% kept HA LEU 42 - HN PHE 92 50.000% * 12.8079% (0.65 1.0 2.57 17.70) = 12.808% kept Peak 772 (8.71, 9.48, 124.36 ppm): 7 chemical-shift based assignments, quality = 0.713, support = 2.96, residual support = 11.1: T HN LEU 82 - HN LYS+ 11 14.286% * 82.8230% (0.76 10.00 3.05 11.78) = 82.823% kept HN MET 10 - HN LYS+ 11 14.286% * 4.8271% (0.20 1.00 4.50 23.30) = 4.827% kept HN PHE 13 - HN LYS+ 11 14.286% * 4.6906% (0.31 1.00 2.80 3.65) = 4.691% kept HN LYS+ 56 - HN LYS+ 11 14.286% * 4.5086% (0.98 1.00 0.85 0.76) = 4.509% kept HN GLY 98 - HN LYS+ 11 14.286% * 3.0506% (0.38 1.00 1.50 1.50) = 3.051% kept HN ASP- 78 - HN LYS+ 11 14.286% * 0.0787% (0.73 1.00 0.02 0.02) = 0.079% HN GLY 27 - HN LYS+ 11 14.286% * 0.0214% (0.20 1.00 0.02 0.02) = 0.021% Peak 773 (6.13, 9.48, 124.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 774 (5.12, 9.48, 124.36 ppm): 3 chemical-shift based assignments, quality = 0.515, support = 4.59, residual support = 41.3: O HA LYS+ 11 - HN LYS+ 11 33.333% * 64.2414% (0.31 10.0 5.92 64.06) = 64.241% kept HA GLN 83 - HN LYS+ 11 33.333% * 25.3884% (0.97 1.0 2.53 0.50) = 25.388% kept HA VAL 40 - HN LYS+ 11 33.333% * 10.3702% (0.69 1.0 1.45 0.12) = 10.370% kept Peak 775 (2.62, 9.48, 124.36 ppm): 8 chemical-shift based assignments, quality = 0.39, support = 3.72, residual support = 18.2: HG3 MET 10 - HN LYS+ 11 12.500% * 42.1849% (0.31 4.33 23.30) = 42.185% kept HG2 MET 10 - HN LYS+ 11 12.500% * 35.7649% (0.22 5.09 23.30) = 35.765% kept HB2 ASP- 41 - HN LYS+ 11 12.500% * 12.3434% (0.92 0.42 0.02) = 12.343% kept HG2 MET 1 - HN LYS+ 11 12.500% * 6.7437% (0.61 0.35 0.02) = 6.744% kept HA VAL 71 - HN LYS+ 11 12.500% * 2.5770% (0.98 0.08 0.02) = 2.577% kept HB3 ASN 100 - HN LYS+ 11 12.500% * 0.1756% (0.28 0.02 0.02) = 0.176% QG MET 101 - HN LYS+ 11 12.500% * 0.1250% (0.20 0.02 0.02) = 0.125% HD2 PRO 25 - HN LYS+ 11 12.500% * 0.0855% (0.14 0.02 0.02) = 0.085% Peak 776 (2.12, 9.48, 124.36 ppm): 8 chemical-shift based assignments, quality = 0.819, support = 4.46, residual support = 20.2: QB MET 10 - HN LYS+ 11 12.500% * 86.7396% (0.84 5.07 23.30) = 86.740% kept HB2 MET 1 - HN LYS+ 11 12.500% * 8.9328% (0.87 0.50 0.02) = 8.933% kept HB2 ASN 74 - HN LYS+ 11 12.500% * 3.4674% (0.49 0.35 0.12) = 3.467% kept HB3 MET 101 - HN LYS+ 11 12.500% * 0.2484% (0.61 0.02 0.02) = 0.248% HB ILE 85 - HN LYS+ 11 12.500% * 0.2319% (0.57 0.02 0.02) = 0.232% HB3 PRO 37 - HN LYS+ 11 12.500% * 0.1684% (0.41 0.02 0.02) = 0.168% HB2 GLU- 16 - HN LYS+ 11 12.500% * 0.1397% (0.34 0.02 0.02) = 0.140% HG2 MET 54 - HN LYS+ 11 12.500% * 0.0717% (0.18 0.02 0.11) = 0.072% Peak 777 (1.24, 9.48, 124.36 ppm): 4 chemical-shift based assignments, quality = 0.931, support = 2.74, residual support = 8.37: HB3 LEU 82 - HN LYS+ 11 25.000% * 69.3914% (0.99 3.42 11.78) = 69.391% kept HB3 LYS+ 56 - HN LYS+ 11 25.000% * 24.9330% (0.87 1.40 0.76) = 24.933% kept QG1 VAL 65 - HN LYS+ 11 25.000% * 4.1807% (0.53 0.39 0.10) = 4.181% kept HB3 LEU 42 - HN LYS+ 11 25.000% * 1.4948% (0.34 0.21 0.02) = 1.495% kept Peak 778 (1.65, 9.48, 124.36 ppm): 7 chemical-shift based assignments, quality = 0.629, support = 3.28, residual support = 42.0: QD LYS+ 11 - HN LYS+ 11 14.286% * 41.0897% (0.53 4.46 64.06) = 41.090% kept QB PRO 12 - HN LYS+ 11 14.286% * 39.6875% (0.69 3.30 39.19) = 39.688% kept HB2 LYS+ 56 - HN LYS+ 11 14.286% * 13.2493% (0.95 0.80 0.76) = 13.249% kept HB2 LEU 43 - HN LYS+ 11 14.286% * 2.9221% (0.34 0.49 0.52) = 2.922% kept HB3 LYS+ 55 - HN LYS+ 11 14.286% * 1.7275% (0.15 0.64 0.02) = 1.727% kept HG LEU 43 - HN LYS+ 11 14.286% * 1.2159% (0.20 0.35 0.52) = 1.216% kept QD LYS+ 17 - HN LYS+ 11 14.286% * 0.1081% (0.31 0.02 0.02) = 0.108% Peak 779 (1.83, 9.48, 124.36 ppm): 9 chemical-shift based assignments, quality = 0.777, support = 4.48, residual support = 22.3: QE MET 10 - HN LYS+ 11 11.111% * 95.6415% (0.80 4.68 23.30) = 95.642% kept HG LEU 42 - HN LYS+ 11 11.111% * 2.4496% (0.45 0.21 0.02) = 2.450% kept HD3 PRO 25 - HN LYS+ 11 11.111% * 0.5006% (0.98 0.02 0.02) = 0.501% HB ILE 24 - HN LYS+ 11 11.111% * 0.4831% (0.95 0.02 0.02) = 0.483% HB3 ARG+ 90 - HN LYS+ 11 11.111% * 0.3508% (0.69 0.02 0.02) = 0.351% HG2 ARG+ 53 - HN LYS+ 11 11.111% * 0.2486% (0.49 0.02 0.02) = 0.249% HG3 PRO 33 - HN LYS+ 11 11.111% * 0.1576% (0.31 0.02 0.02) = 0.158% HB3 PRO 33 - HN LYS+ 11 11.111% * 0.0894% (0.18 0.02 0.02) = 0.089% HB3 LYS+ 17 - HN LYS+ 11 11.111% * 0.0788% (0.15 0.02 0.02) = 0.079% Peak 780 (0.43, 9.48, 124.36 ppm): 2 chemical-shift based assignments, quality = 0.819, support = 2.04, residual support = 1.87: QD2 LEU 76 - HN LYS+ 11 50.000% * 76.1455% (0.92 2.26 1.87) = 76.145% kept QD1 LEU 76 - HN LYS+ 11 50.000% * 23.8545% (0.49 1.34 1.87) = 23.855% kept Peak 781 (0.24, 9.48, 124.36 ppm): 2 chemical-shift based assignments, quality = 0.566, support = 0.448, residual support = 4.23: QD1 LEU 22 - HN LYS+ 11 50.000% * 95.8904% (0.57 0.47 4.41) = 95.890% kept QG2 VAL 94 - HN LYS+ 11 50.000% * 4.1096% (0.57 0.02 0.02) = 4.110% kept Peak 782 (3.07, 9.51, 124.36 ppm): 3 chemical-shift based assignments, quality = 0.725, support = 3.15, residual support = 23.7: O HB2 PHE 92 - HN PHE 92 33.333% * 99.8396% (0.73 10.0 3.16 23.74) = 99.840% kept QB PHE 32 - HN PHE 92 33.333% * 0.1363% (0.99 1.0 0.02 3.52) = 0.136% HB2 PHE 9 - HN PHE 92 33.333% * 0.0241% (0.18 1.0 0.02 0.02) = 0.024% Peak 783 (2.79, 9.51, 124.36 ppm): 5 chemical-shift based assignments, quality = 0.438, support = 3.28, residual support = 22.9: O HB3 PHE 92 - HN PHE 92 20.000% * 94.5339% (0.45 10.0 3.38 23.74) = 94.534% kept HB3 TYR 93 - HN PHE 92 20.000% * 5.0091% (0.28 1.0 1.71 9.15) = 5.009% kept HB2 ASP- 73 - HN PHE 92 20.000% * 0.2090% (0.99 1.0 0.02 0.02) = 0.209% HB2 TYR 81 - HN PHE 92 20.000% * 0.1829% (0.87 1.0 0.02 0.02) = 0.183% HB3 PHE 28 - HN PHE 92 20.000% * 0.0651% (0.31 1.0 0.02 0.02) = 0.065% Peak 784 (1.00, 9.51, 124.36 ppm): 6 chemical-shift based assignments, quality = 0.554, support = 2.17, residual support = 6.3: QG2 THR 91 - HN PHE 92 16.667% * 75.0089% (0.53 2.78 8.39) = 75.009% kept QG2 THR 64 - HN PHE 92 16.667% * 13.5185% (0.49 0.54 0.02) = 13.518% kept QD1 ILE 38 - HN PHE 92 16.667% * 4.9888% (0.92 0.11 0.02) = 4.989% kept QG1 VAL 40 - HN PHE 92 16.667% * 3.2075% (0.76 0.08 0.02) = 3.208% kept HG LEU 76 - HN PHE 92 16.667% * 3.0209% (0.76 0.08 0.02) = 3.021% kept QG2 ILE 85 - HN PHE 92 16.667% * 0.2553% (0.25 0.02 0.02) = 0.255% Peak 785 (0.66, 9.51, 124.36 ppm): 3 chemical-shift based assignments, quality = 0.857, support = 2.16, residual support = 17.0: QD2 LEU 42 - HN PHE 92 33.333% * 96.0671% (0.87 2.24 17.70) = 96.067% kept HB2 LEU 22 - HN PHE 92 33.333% * 3.3014% (0.73 0.09 0.02) = 3.301% kept QD1 ILE 96 - HN PHE 92 33.333% * 0.6315% (0.15 0.08 0.02) = 0.631% Peak 786 (7.27, 8.73, 122.33 ppm): 2 chemical-shift based assignments, quality = 0.647, support = 4.41, residual support = 24.6: T HN ILE 14 - HN PHE 13 50.000% * 97.1447% (0.65 10.00 4.52 25.30) = 97.145% kept HN SER 49 - HN PHE 13 50.000% * 2.8553% (0.65 1.00 0.59 0.02) = 2.855% kept Peak 787 (7.01, 8.73, 122.33 ppm): 1 chemical-shift based assignment, quality = 0.341, support = 0.747, residual support = 1.49: HE ARG+ 90 - HN PHE 13 100.000% *100.0000% (0.34 0.75 1.49) = 100.000% kept Peak 788 (5.14, 8.73, 122.33 ppm): 4 chemical-shift based assignments, quality = 0.701, support = 3.04, residual support = 7.09: HA LYS+ 11 - HN PHE 13 25.000% * 64.0852% (0.84 3.64 3.65) = 64.085% kept HA LEU 82 - HN PHE 13 25.000% * 21.9780% (0.45 2.33 21.41) = 21.978% kept HA GLN 83 - HN PHE 13 25.000% * 13.8535% (0.49 1.35 0.30) = 13.854% kept HA VAL 40 - HN PHE 13 25.000% * 0.0833% (0.20 0.02 0.02) = 0.083% Peak 790 (4.89, 8.73, 122.33 ppm): 2 chemical-shift based assignments, quality = 0.764, support = 0.898, residual support = 1.38: HA ASP- 78 - HN PHE 13 50.000% * 90.8457% (0.76 0.98 1.51) = 90.846% kept HA TYR 97 - HN PHE 13 50.000% * 9.1543% (0.76 0.10 0.02) = 9.154% kept Peak 791 (4.77, 8.73, 122.33 ppm): 3 chemical-shift based assignments, quality = 0.544, support = 1.77, residual support = 2.5: HA LYS+ 55 - HN PHE 13 33.333% * 73.9660% (0.45 2.25 3.34) = 73.966% kept HA THR 64 - HN PHE 13 33.333% * 25.4838% (0.84 0.42 0.13) = 25.484% kept HA ILE 85 - HN PHE 13 33.333% * 0.5503% (0.38 0.02 0.02) = 0.550% Peak 792 (4.26, 8.73, 122.33 ppm): 4 chemical-shift based assignments, quality = 0.776, support = 5.02, residual support = 36.5: O HA PHE 13 - HN PHE 13 25.000% * 95.4787% (0.80 10.0 5.14 38.06) = 95.479% kept HD2 PRO 33 - HN PHE 13 25.000% * 4.2975% (0.28 1.0 2.59 3.65) = 4.298% kept HA ASN 75 - HN PHE 13 25.000% * 0.1169% (0.98 1.0 0.02 0.02) = 0.117% HA GLU- 59 - HN PHE 13 25.000% * 0.1069% (0.90 1.0 0.02 0.02) = 0.107% Peak 793 (3.14, 8.73, 122.33 ppm): 5 chemical-shift based assignments, quality = 0.94, support = 4.03, residual support = 35.4: O HB2 PHE 13 - HN PHE 13 20.000% * 93.0064% (0.95 10.0 4.26 38.06) = 93.006% kept HD2 ARG+ 48 - HN PHE 13 20.000% * 5.2673% (0.90 1.0 1.19 0.10) = 5.267% kept HB3 TYR 86 - HN PHE 13 20.000% * 1.6421% (0.80 1.0 0.42 0.02) = 1.642% kept QB HIS 99 - HN PHE 13 20.000% * 0.0596% (0.61 1.0 0.02 0.02) = 0.060% HB3 TRP 67 - HN PHE 13 20.000% * 0.0245% (0.25 1.0 0.02 0.02) = 0.025% Peak 794 (2.76, 8.73, 122.33 ppm): 4 chemical-shift based assignments, quality = 0.622, support = 0.989, residual support = 0.774: HB3 PHE 28 - HN PHE 13 25.000% * 45.9211% (0.95 0.37 0.34) = 45.921% kept QB ASP- 78 - HN PHE 13 25.000% * 40.5041% (0.15 1.99 1.51) = 40.504% kept HB3 TYR 93 - HN PHE 13 25.000% * 12.9880% (0.97 0.10 0.02) = 12.988% kept HB2 ASP- 73 - HN PHE 13 25.000% * 0.5868% (0.22 0.02 0.02) = 0.587% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 795 (2.58, 8.73, 122.33 ppm): 8 chemical-shift based assignments, quality = 0.694, support = 3.51, residual support = 34.3: O HB3 PHE 13 - HN PHE 13 12.500% * 88.7653% (0.73 10.0 3.68 38.06) = 88.765% kept HE2 LYS+ 56 - HN PHE 13 12.500% * 8.1528% (0.49 1.0 2.74 6.30) = 8.153% kept HB3 TYR 81 - HN PHE 13 12.500% * 1.4966% (0.25 1.0 0.98 0.02) = 1.497% kept HG3 MET 10 - HN PHE 13 12.500% * 1.3698% (0.45 1.0 0.50 0.02) = 1.370% kept HD3 PRO 35 - HN PHE 13 12.500% * 0.0979% (0.80 1.0 0.02 0.02) = 0.098% HB3 ASN 100 - HN PHE 13 12.500% * 0.0595% (0.49 1.0 0.02 0.02) = 0.060% HG3 MET 1 - HN PHE 13 12.500% * 0.0340% (0.28 1.0 0.02 0.02) = 0.034% HG2 MET 1 - HN PHE 13 12.500% * 0.0242% (0.20 1.0 0.02 0.02) = 0.024% Peak 796 (2.04, 8.73, 122.33 ppm): 7 chemical-shift based assignments, quality = 0.853, support = 3.2, residual support = 9.85: QG PRO 12 - HN PHE 13 14.286% * 52.8152% (0.84 5.02 17.21) = 52.815% kept HG2 PRO 33 - HN PHE 13 14.286% * 19.1210% (0.95 1.61 3.65) = 19.121% kept HB VAL 52 - HN PHE 13 14.286% * 12.4377% (1.00 0.99 0.02) = 12.438% kept HG3 MET 54 - HN PHE 13 14.286% * 6.4068% (0.41 1.24 0.84) = 6.407% kept HB ILE 38 - HN PHE 13 14.286% * 5.7912% (1.00 0.46 0.02) = 5.791% kept HB2 ARG+ 53 - HN PHE 13 14.286% * 3.3720% (0.69 0.39 0.02) = 3.372% kept HB3 MET 1 - HN PHE 13 14.286% * 0.0561% (0.22 0.02 0.02) = 0.056% Peak 797 (1.86, 8.73, 122.33 ppm): 9 chemical-shift based assignments, quality = 0.926, support = 1.71, residual support = 2.95: HB3 LYS+ 11 - HN PHE 13 11.111% * 28.5177% (0.99 2.17 3.65) = 28.518% kept HB3 PRO 33 - HN PHE 13 11.111% * 24.8963% (1.00 1.88 3.65) = 24.896% kept HG3 PRO 33 - HN PHE 13 11.111% * 22.3959% (0.95 1.79 3.65) = 22.396% kept QB MET 54 - HN PHE 13 11.111% * 14.1273% (0.92 1.15 0.84) = 14.127% kept QE MET 10 - HN PHE 13 11.111% * 4.9289% (0.49 0.76 0.02) = 4.929% kept HB3 ARG+ 90 - HN PHE 13 11.111% * 4.5797% (0.61 0.57 1.49) = 4.580% kept HD3 PRO 25 - HN PHE 13 11.111% * 0.2833% (0.25 0.09 0.02) = 0.283% QB LYS+ 72 - HN PHE 13 11.111% * 0.2301% (0.87 0.02 0.02) = 0.230% QB PHE 70 - HN PHE 13 11.111% * 0.0409% (0.15 0.02 0.02) = 0.041% Peak 798 (1.65, 8.73, 122.33 ppm): 7 chemical-shift based assignments, quality = 0.697, support = 3.76, residual support = 14.8: O QB PRO 12 - HN PHE 13 14.286% * 80.0503% (0.69 10.0 4.15 17.21) = 80.050% kept HB2 LYS+ 56 - HN PHE 13 14.286% * 12.5222% (0.95 1.0 2.27 6.30) = 12.522% kept QD LYS+ 11 - HN PHE 13 14.286% * 4.5906% (0.53 1.0 1.50 3.65) = 4.591% kept HB3 LYS+ 55 - HN PHE 13 14.286% * 2.7381% (0.15 1.0 3.05 3.34) = 2.738% kept HB2 LEU 43 - HN PHE 13 14.286% * 0.0398% (0.34 1.0 0.02 0.02) = 0.040% QD LYS+ 17 - HN PHE 13 14.286% * 0.0360% (0.31 1.0 0.02 0.02) = 0.036% HG LEU 43 - HN PHE 13 14.286% * 0.0231% (0.20 1.0 0.02 0.02) = 0.023% Peak 799 (1.28, 8.73, 122.33 ppm): 4 chemical-shift based assignments, quality = 0.958, support = 3.75, residual support = 14.3: QD1 LEU 82 - HN PHE 13 25.000% * 57.7486% (0.98 4.97 21.41) = 57.749% kept HD2 LYS+ 56 - HN PHE 13 25.000% * 30.3929% (0.98 2.62 6.30) = 30.393% kept HB3 LEU 63 - HN PHE 13 25.000% * 7.4685% (0.95 0.67 0.02) = 7.468% kept QG2 THR 51 - HN PHE 13 25.000% * 4.3900% (0.53 0.70 0.02) = 4.390% kept Peak 800 (0.95, 8.73, 122.33 ppm): 6 chemical-shift based assignments, quality = 0.761, support = 2.73, residual support = 15.8: QG2 ILE 14 - HN PHE 13 16.667% * 34.1123% (0.65 4.17 25.30) = 34.112% kept QD2 LEU 82 - HN PHE 13 16.667% * 27.7445% (0.84 2.63 21.41) = 27.744% kept HG3 LYS+ 56 - HN PHE 13 16.667% * 19.3722% (0.69 2.23 6.30) = 19.372% kept HB3 ARG+ 48 - HN PHE 13 16.667% * 12.7308% (0.99 1.02 0.10) = 12.731% kept QG2 VAL 52 - HN PHE 13 16.667% * 5.0746% (0.97 0.42 0.02) = 5.075% kept QD1 LEU 26 - HN PHE 13 16.667% * 0.9657% (0.20 0.39 0.02) = 0.966% Peak 801 (8.01, 7.26, 130.24 ppm): 9 chemical-shift based assignments, quality = 0.533, support = 4.22, residual support = 6.55: T HN SER 18 - HN ILE 14 11.111% * 74.7702% (0.49 10.00 5.23 8.27) = 74.770% kept HN LEU 26 - HN ILE 14 11.111% * 11.7983% (0.97 1.00 1.59 1.13) = 11.798% kept HN PHE 28 - HN ILE 14 11.111% * 4.1001% (0.49 1.00 1.10 0.02) = 4.100% kept HN ASP- 44 - HN ILE 14 11.111% * 4.0184% (0.69 1.00 0.76 0.48) = 4.018% kept HN ARG+ 48 - HN ILE 14 11.111% * 3.0817% (0.25 1.00 1.62 6.85) = 3.082% kept HD21 ASN 69 - HN ILE 14 11.111% * 0.8658% (0.57 1.00 0.20 0.02) = 0.866% HN ASP- 87 - HN ILE 14 11.111% * 0.8248% (0.22 1.00 0.48 0.02) = 0.825% HN ALA 34 - HN ILE 14 11.111% * 0.5065% (0.28 1.00 0.24 0.02) = 0.506% HN THR 4 - HN ILE 14 11.111% * 0.0342% (0.22 1.00 0.02 0.02) = 0.034% Peak 802 (8.74, 7.26, 130.24 ppm): 6 chemical-shift based assignments, quality = 0.919, support = 4.3, residual support = 23.9: T HN PHE 13 - HN ILE 14 16.667% * 94.6013% (0.95 10.00 4.52 25.30) = 94.601% kept HN LEU 82 - HN ILE 14 16.667% * 1.8321% (0.53 1.00 0.70 0.54) = 1.832% kept HN GLY 27 - HN ILE 14 16.667% * 1.4269% (1.00 1.00 0.29 0.02) = 1.427% kept HN THR 64 - HN ILE 14 16.667% * 0.9755% (0.41 1.00 0.47 0.44) = 0.975% HN MET 10 - HN ILE 14 16.667% * 0.6305% (1.00 1.00 0.13 0.02) = 0.630% HN LYS+ 56 - HN ILE 14 16.667% * 0.5338% (0.25 1.00 0.43 2.54) = 0.534% Peak 803 (10.09, 7.26, 130.24 ppm): 1 chemical-shift based assignment, quality = 0.764, support = 4.12, residual support = 28.8: T HN SER 15 - HN ILE 14 100.000% *100.0000% (0.76 10.00 4.12 28.85) = 100.000% kept Peak 804 (7.06, 7.26, 130.24 ppm): 1 chemical-shift based assignment, quality = 0.867, support = 6.84, residual support = 32.6: T HN LYS+ 17 - HN ILE 14 100.000% *100.0000% (0.87 10.00 6.84 32.63) = 100.000% kept Peak 805 (4.48, 7.26, 130.24 ppm): 8 chemical-shift based assignments, quality = 0.809, support = 2.79, residual support = 5.46: HA LYS+ 60 - HN ILE 14 12.500% * 50.9179% (0.87 3.81 9.23) = 50.918% kept HA VAL 61 - HN ILE 14 12.500% * 24.8158% (0.80 2.01 0.83) = 24.816% kept HA VAL 7 - HN ILE 14 12.500% * 18.3359% (0.65 1.84 2.96) = 18.336% kept HA ASN 100 - HN ILE 14 12.500% * 5.0057% (1.00 0.33 0.25) = 5.006% kept HA ASN 69 - HN ILE 14 12.500% * 0.3074% (1.00 0.02 0.02) = 0.307% HA ASN 74 - HN ILE 14 12.500% * 0.3053% (0.99 0.02 0.02) = 0.305% HA MET 1 - HN ILE 14 12.500% * 0.1621% (0.53 0.02 0.02) = 0.162% HA TYR 31 - HN ILE 14 12.500% * 0.1500% (0.49 0.02 0.02) = 0.150% Peak 806 (4.22, 7.26, 130.24 ppm): 1 chemical-shift based assignment, quality = 0.487, support = 0.128, residual support = 0.574: HD2 PRO 33 - HN ILE 14 100.000% *100.0000% (0.49 0.13 0.57) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 807 (3.15, 7.26, 130.24 ppm): 5 chemical-shift based assignments, quality = 0.865, support = 2.85, residual support = 16.9: HB2 PHE 13 - HN ILE 14 20.000% * 59.3263% (0.84 3.88 25.30) = 59.326% kept HD2 ARG+ 48 - HN ILE 14 20.000% * 27.4095% (0.90 1.67 6.85) = 27.410% kept HB3 TYR 86 - HN ILE 14 20.000% * 12.8420% (0.97 0.73 0.30) = 12.842% kept QB HIS 99 - HN ILE 14 20.000% * 0.3656% (1.00 0.02 0.02) = 0.366% HD3 ARG+ 90 - HN ILE 14 20.000% * 0.0565% (0.15 0.02 0.02) = 0.057% Peak 808 (2.07, 7.26, 130.24 ppm): 7 chemical-shift based assignments, quality = 0.581, support = 0.951, residual support = 0.446: QG PRO 12 - HN ILE 14 14.286% * 36.3367% (0.45 1.52 0.46) = 36.337% kept HB2 LYS+ 11 - HN ILE 14 14.286% * 23.6865% (0.65 0.69 0.32) = 23.687% kept HG3 GLN 83 - HN ILE 14 14.286% * 21.4074% (0.99 0.41 0.02) = 21.407% kept HB VAL 52 - HN ILE 14 14.286% * 9.8669% (0.15 1.20 2.01) = 9.867% kept QB ARG+ 88 - HN ILE 14 14.286% * 8.3057% (0.45 0.35 0.02) = 8.306% kept HB ILE 38 - HN ILE 14 14.286% * 0.2106% (0.20 0.02 0.15) = 0.211% HG2 MET 54 - HN ILE 14 14.286% * 0.1863% (0.18 0.02 0.14) = 0.186% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 809 (1.89, 7.26, 130.24 ppm): 9 chemical-shift based assignments, quality = 0.702, support = 1.38, residual support = 8.82: HB VAL 7 - HN ILE 14 11.111% * 29.4715% (0.92 1.35 2.96) = 29.471% kept HB3 GLU- 59 - HN ILE 14 11.111% * 24.8549% (0.90 1.17 0.29) = 24.855% kept HB2 LYS+ 17 - HN ILE 14 11.111% * 23.9130% (0.61 1.67 32.63) = 23.913% kept HB3 LYS+ 11 - HN ILE 14 11.111% * 8.2841% (0.22 1.57 0.32) = 8.284% kept HB3 PRO 33 - HN ILE 14 11.111% * 7.8791% (0.18 1.90 0.57) = 7.879% kept QB MET 54 - HN ILE 14 11.111% * 2.9928% (0.34 0.37 0.14) = 2.993% kept QB PHE 70 - HN ILE 14 11.111% * 1.9857% (1.00 0.08 0.02) = 1.986% kept QB LYS+ 80 - HN ILE 14 11.111% * 0.4245% (0.90 0.02 0.02) = 0.424% QB LYS+ 72 - HN ILE 14 11.111% * 0.1946% (0.41 0.02 0.02) = 0.195% Peak 810 (1.72, 7.26, 130.24 ppm): 9 chemical-shift based assignments, quality = 0.494, support = 3.67, residual support = 64.7: O HB ILE 14 - HN ILE 14 11.111% * 38.4717% (0.15 10.0 6.60 159.95) = 38.472% kept QD LYS+ 60 - HN ILE 14 11.111% * 20.4106% (0.65 1.0 2.53 9.23) = 20.411% kept HB2 GLU- 23 - HN ILE 14 11.111% * 18.8622% (1.00 1.0 1.51 1.47) = 18.862% kept HB2 ARG+ 48 - HN ILE 14 11.111% * 13.7530% (0.53 1.0 2.10 6.85) = 13.753% kept HG LEU 26 - HN ILE 14 11.111% * 4.3197% (0.73 1.0 0.48 1.13) = 4.320% kept HD3 LYS+ 55 - HN ILE 14 11.111% * 2.0034% (0.38 1.0 0.43 0.98) = 2.003% kept HB3 PRO 25 - HN ILE 14 11.111% * 1.7944% (0.18 1.0 0.82 0.81) = 1.794% kept QB GLU- 30 - HN ILE 14 11.111% * 0.2236% (0.90 1.0 0.02 0.02) = 0.224% HG12 ILE 38 - HN ILE 14 11.111% * 0.1613% (0.65 1.0 0.02 0.15) = 0.161% Peak 811 (1.31, 7.26, 130.24 ppm): 5 chemical-shift based assignments, quality = 0.418, support = 3.72, residual support = 82.5: HG12 ILE 14 - HN ILE 14 20.000% * 51.1101% (0.34 5.75 159.95) = 51.110% kept QG2 THR 51 - HN ILE 14 20.000% * 23.5110% (0.76 1.18 0.29) = 23.511% kept HD2 LYS+ 56 - HN ILE 14 20.000% * 17.0664% (0.25 2.63 2.54) = 17.066% kept HB3 LEU 63 - HN ILE 14 20.000% * 4.6899% (0.31 0.58 3.04) = 4.690% kept HG LEU 63 - HN ILE 14 20.000% * 3.6226% (0.20 0.70 3.04) = 3.623% kept Peak 812 (1.07, 7.26, 130.24 ppm): 3 chemical-shift based assignments, quality = 0.768, support = 2.12, residual support = 1.89: QG1 VAL 52 - HN ILE 14 33.333% * 62.5076% (0.95 2.35 2.01) = 62.508% kept HG2 LYS+ 56 - HN ILE 14 33.333% * 24.2910% (0.38 2.30 2.54) = 24.291% kept HG13 ILE 85 - HN ILE 14 33.333% * 13.2015% (0.65 0.73 0.16) = 13.201% kept Peak 813 (0.94, 7.26, 130.24 ppm): 6 chemical-shift based assignments, quality = 0.448, support = 3.27, residual support = 33.3: HB3 ARG+ 48 - HN ILE 14 16.667% * 29.4603% (0.57 3.11 6.85) = 29.460% kept QG2 VAL 52 - HN ILE 14 16.667% * 23.2321% (0.49 2.85 2.01) = 23.232% kept QG2 ILE 14 - HN ILE 14 16.667% * 19.0138% (0.18 6.49 159.95) = 19.014% kept QD1 LEU 26 - HN ILE 14 16.667% * 14.9538% (0.69 1.30 1.13) = 14.954% kept HG3 LYS+ 56 - HN ILE 14 16.667% * 8.4878% (0.20 2.57 2.54) = 8.488% kept QD2 LEU 82 - HN ILE 14 16.667% * 4.8522% (0.31 0.94 0.54) = 4.852% kept Peak 814 (0.81, 7.26, 130.24 ppm): 6 chemical-shift based assignments, quality = 0.663, support = 3.55, residual support = 57.1: QD1 ILE 14 - HN ILE 14 16.667% * 35.4923% (0.31 7.35 159.95) = 35.492% kept QG2 VAL 61 - HN ILE 14 16.667% * 27.5221% (0.84 2.11 0.83) = 27.522% kept HG13 ILE 24 - HN ILE 14 16.667% * 18.8019% (0.90 1.34 0.62) = 18.802% kept HG LEU 22 - HN ILE 14 16.667% * 10.7480% (0.90 0.77 0.02) = 10.748% kept HB2 LEU 76 - HN ILE 14 16.667% * 4.8451% (0.87 0.36 0.14) = 4.845% kept QG2 ILE 96 - HN ILE 14 16.667% * 2.5906% (0.65 0.26 0.02) = 2.591% kept Peak 815 (0.32, 7.26, 130.24 ppm): 4 chemical-shift based assignments, quality = 0.77, support = 1.92, residual support = 2.4: QG1 VAL 7 - HN ILE 14 25.000% * 62.4510% (0.87 2.46 2.96) = 62.451% kept QD1 ILE 24 - HN ILE 14 25.000% * 18.4764% (0.41 1.53 0.62) = 18.476% kept QD1 LEU 63 - HN ILE 14 25.000% * 14.3416% (0.80 0.61 3.04) = 14.342% kept QG1 VAL 71 - HN ILE 14 25.000% * 4.7310% (0.80 0.20 0.02) = 4.731% kept Peak 816 (8.91, 10.10, 128.89 ppm): 4 chemical-shift based assignments, quality = 0.929, support = 5.87, residual support = 25.2: T HN GLU- 16 - HN SER 15 25.000% * 91.4480% (0.95 10.00 6.31 27.46) = 91.448% kept HN LEU 63 - HN SER 15 25.000% * 6.4175% (0.92 1.00 1.44 1.16) = 6.418% kept T HN ASP- 41 - HN SER 15 25.000% * 1.5457% (0.31 10.00 0.10 0.02) = 1.546% kept HN VAL 65 - HN SER 15 25.000% * 0.5888% (0.49 1.00 0.25 0.17) = 0.589% Peak 817 (8.01, 10.10, 128.89 ppm): 9 chemical-shift based assignments, quality = 0.697, support = 2.93, residual support = 2.42: HN SER 18 - HN SER 15 11.111% * 40.9427% (0.49 4.59 3.95) = 40.943% kept HN LEU 26 - HN SER 15 11.111% * 40.7421% (0.97 2.30 1.95) = 40.742% kept HN ASP- 44 - HN SER 15 11.111% * 9.3100% (0.69 0.74 0.02) = 9.310% kept HD21 ASN 69 - HN SER 15 11.111% * 6.5351% (0.57 0.63 0.12) = 6.535% kept HN ARG+ 48 - HN SER 15 11.111% * 1.2429% (0.25 0.27 0.15) = 1.243% kept HN PHE 28 - HN SER 15 11.111% * 0.9619% (0.49 0.11 0.02) = 0.962% HN ALA 34 - HN SER 15 11.111% * 0.1019% (0.28 0.02 0.02) = 0.102% HN ASP- 87 - HN SER 15 11.111% * 0.0816% (0.22 0.02 0.02) = 0.082% HN THR 4 - HN SER 15 11.111% * 0.0816% (0.22 0.02 0.02) = 0.082% Peak 818 (7.29, 10.10, 128.89 ppm): 2 chemical-shift based assignments, quality = 0.175, support = 3.95, residual support = 27.3: T HN ILE 14 - HN SER 15 50.000% * 94.4168% (0.18 10.00 4.12 28.85) = 94.417% kept HN SER 49 - HN SER 15 50.000% * 5.5832% (0.18 1.00 1.18 0.44) = 5.583% kept Peak 819 (7.05, 10.10, 128.89 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 8.26, residual support = 20.7: HN LYS+ 17 - HN SER 15 100.000% *100.0000% (0.92 8.26 20.73) = 100.000% kept Peak 820 (4.82, 10.10, 128.89 ppm): 2 chemical-shift based assignments, quality = 0.897, support = 1.81, residual support = 1.65: HA TYR 81 - HN SER 15 50.000% * 64.6467% (0.90 2.16 2.31) = 64.647% kept HA TRP 50 - HN SER 15 50.000% * 35.3533% (0.90 1.18 0.43) = 35.353% kept Peak 821 (4.50, 10.10, 128.89 ppm): 9 chemical-shift based assignments, quality = 0.721, support = 1.23, residual support = 1.12: HA LYS+ 60 - HN SER 15 11.111% * 41.7708% (0.92 1.57 0.79) = 41.771% kept HA VAL 7 - HN SER 15 11.111% * 15.8683% (1.00 0.55 0.26) = 15.868% kept HA VAL 61 - HN SER 15 11.111% * 14.2357% (0.28 1.78 1.02) = 14.236% kept HB2 SER 18 - HN SER 15 11.111% * 13.9823% (0.41 1.18 3.95) = 13.982% kept HA ASN 100 - HN SER 15 11.111% * 11.2706% (0.69 0.57 0.41) = 11.271% kept HA LEU 22 - HN SER 15 11.111% * 1.4941% (0.15 0.34 0.02) = 1.494% kept HA MET 1 - HN SER 15 11.111% * 0.5645% (0.98 0.02 0.02) = 0.564% HA ASN 74 - HN SER 15 11.111% * 0.4182% (0.73 0.02 0.02) = 0.418% HA ASN 69 - HN SER 15 11.111% * 0.3956% (0.69 0.02 0.12) = 0.396% Peak 822 (4.36, 10.10, 128.89 ppm): 7 chemical-shift based assignments, quality = 0.961, support = 5.46, residual support = 28.7: O HA ILE 14 - HN SER 15 14.286% * 99.6250% (0.97 10.0 5.48 28.85) = 99.625% kept HA ILE 38 - HN SER 15 14.286% * 0.0926% (0.90 1.0 0.02 0.02) = 0.093% HA THR 4 - HN SER 15 14.286% * 0.0750% (0.73 1.0 0.02 0.02) = 0.075% HA PRO 33 - HN SER 15 14.286% * 0.0750% (0.73 1.0 0.02 0.02) = 0.075% HB THR 4 - HN SER 15 14.286% * 0.0543% (0.53 1.0 0.02 0.02) = 0.054% HA1 GLY 47 - HN SER 15 14.286% * 0.0463% (0.45 1.0 0.02 0.02) = 0.046% HA ASP- 73 - HN SER 15 14.286% * 0.0319% (0.31 1.0 0.02 0.02) = 0.032% Peak 823 (3.98, 10.10, 128.89 ppm): 4 chemical-shift based assignments, quality = 0.489, support = 4.28, residual support = 17.6: O HB2 SER 15 - HN SER 15 25.000% * 93.8222% (0.49 10.0 4.48 18.71) = 93.822% kept HB THR 51 - HN SER 15 25.000% * 6.0757% (0.53 1.0 1.20 0.64) = 6.076% kept HA LYS+ 72 - HN SER 15 25.000% * 0.0723% (0.38 1.0 0.02 0.49) = 0.072% HA1 GLY 5 - HN SER 15 25.000% * 0.0297% (0.15 1.0 0.02 0.02) = 0.030% Peak 824 (3.50, 10.10, 128.89 ppm): 5 chemical-shift based assignments, quality = 0.424, support = 3.75, residual support = 16.9: O HB3 SER 15 - HN SER 15 20.000% * 90.0801% (0.41 10.0 4.06 18.71) = 90.080% kept HA GLU- 23 - HN SER 15 20.000% * 7.4074% (0.61 1.0 1.11 0.02) = 7.407% kept HA LEU 76 - HN SER 15 20.000% * 1.4450% (0.45 1.0 0.29 0.02) = 1.445% kept QB SER 49 - HN SER 15 20.000% * 1.0337% (0.20 1.0 0.48 0.44) = 1.034% kept HD3 PRO 37 - HN SER 15 20.000% * 0.0338% (0.15 1.0 0.02 0.02) = 0.034% Peak 825 (2.74, 10.10, 128.89 ppm): 3 chemical-shift based assignments, quality = 0.964, support = 1.26, residual support = 4.71: QB ASP- 78 - HN SER 15 33.333% * 56.0567% (1.00 1.59 8.16) = 56.057% kept HB2 ASN 100 - HN SER 15 33.333% * 33.6379% (0.98 0.97 0.41) = 33.638% kept HB3 TYR 97 - HN SER 15 33.333% * 10.3054% (0.73 0.40 0.02) = 10.305% kept Peak 826 (2.25, 10.10, 128.89 ppm): 3 chemical-shift based assignments, quality = 0.888, support = 2.36, residual support = 1.56: HB2 PRO 25 - HN SER 15 33.333% * 68.3456% (0.95 2.93 2.16) = 68.346% kept HB3 GLN 8 - HN SER 15 33.333% * 25.9898% (0.87 1.21 0.33) = 25.990% kept HG2 GLN 83 - HN SER 15 33.333% * 5.6647% (0.28 0.83 0.02) = 5.665% kept Peak 827 (1.93, 10.10, 128.89 ppm): 9 chemical-shift based assignments, quality = 0.846, support = 2.91, residual support = 16.5: HB3 GLU- 16 - HN SER 15 11.111% * 52.5405% (0.98 3.88 27.46) = 52.540% kept HB2 LYS+ 60 - HN SER 15 11.111% * 24.5393% (0.98 1.81 0.79) = 24.539% kept HB2 LYS+ 17 - HN SER 15 11.111% * 9.1944% (0.20 3.36 20.73) = 9.194% kept HB3 ARG+ 53 - HN SER 15 11.111% * 7.1412% (0.45 1.15 0.02) = 7.141% kept QB GLU- 6 - HN SER 15 11.111% * 3.7769% (0.97 0.28 0.02) = 3.777% kept HB3 GLU- 77 - HN SER 15 11.111% * 2.1547% (0.15 1.01 0.02) = 2.155% kept HB VAL 71 - HN SER 15 11.111% * 0.2307% (0.84 0.02 2.94) = 0.231% HB3 TYR 31 - HN SER 15 11.111% * 0.2111% (0.76 0.02 0.02) = 0.211% QG PRO 37 - HN SER 15 11.111% * 0.2111% (0.76 0.02 0.02) = 0.211% Peak 828 (1.76, 10.10, 128.89 ppm): 11 chemical-shift based assignments, quality = 0.711, support = 2.81, residual support = 15.8: HB ILE 14 - HN SER 15 9.091% * 52.7566% (0.69 4.40 28.85) = 52.757% kept HB VAL 61 - HN SER 15 9.091% * 18.3699% (0.97 1.09 1.02) = 18.370% kept HB3 PRO 25 - HN SER 15 9.091% * 16.6900% (0.65 1.48 2.16) = 16.690% kept HB2 LYS+ 55 - HN SER 15 9.091% * 3.7643% (0.99 0.22 0.02) = 3.764% kept HG LEU 82 - HN SER 15 9.091% * 2.6514% (0.20 0.77 0.48) = 2.651% kept HG3 ARG+ 53 - HN SER 15 9.091% * 1.9429% (0.34 0.33 0.02) = 1.943% kept HB2 ARG+ 48 - HN SER 15 9.091% * 1.6080% (0.25 0.37 0.15) = 1.608% kept HB ILE 95 - HN SER 15 9.091% * 1.1793% (0.84 0.08 0.02) = 1.179% kept HD2 LYS+ 55 - HN SER 15 9.091% * 0.8456% (0.22 0.22 0.02) = 0.846% HB3 LYS+ 20 - HN SER 15 9.091% * 0.1309% (0.38 0.02 0.02) = 0.131% HG12 ILE 38 - HN SER 15 9.091% * 0.0611% (0.18 0.02 0.02) = 0.061% Peak 829 (1.30, 10.10, 128.89 ppm): 4 chemical-shift based assignments, quality = 0.835, support = 0.876, residual support = 0.603: QG2 THR 51 - HN SER 15 25.000% * 47.4233% (0.98 1.12 0.64) = 47.423% kept HD2 LYS+ 56 - HN SER 15 25.000% * 25.0813% (0.76 0.76 0.37) = 25.081% kept QD1 LEU 82 - HN SER 15 25.000% * 16.4986% (0.53 0.73 0.48) = 16.499% kept HB3 LEU 63 - HN SER 15 25.000% * 10.9968% (0.84 0.30 1.16) = 10.997% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 830 (1.07, 10.10, 128.89 ppm): 3 chemical-shift based assignments, quality = 0.843, support = 1.98, residual support = 3.43: QG1 VAL 52 - HN SER 15 33.333% * 78.1325% (0.95 2.31 4.33) = 78.132% kept HG2 LYS+ 56 - HN SER 15 33.333% * 13.7165% (0.38 1.02 0.37) = 13.717% kept HG13 ILE 85 - HN SER 15 33.333% * 8.1510% (0.65 0.35 0.02) = 8.151% kept Peak 831 (0.94, 10.10, 128.89 ppm): 6 chemical-shift based assignments, quality = 0.49, support = 2.84, residual support = 6.77: QD1 LEU 26 - HN SER 15 16.667% * 34.3699% (0.69 2.70 1.95) = 34.370% kept QG2 VAL 52 - HN SER 15 16.667% * 26.1354% (0.49 2.90 4.33) = 26.135% kept QG2 ILE 14 - HN SER 15 16.667% * 17.0126% (0.18 5.24 28.85) = 17.013% kept HB3 ARG+ 48 - HN SER 15 16.667% * 11.7701% (0.57 1.12 0.15) = 11.770% kept QD2 LEU 82 - HN SER 15 16.667% * 8.1871% (0.31 1.43 0.48) = 8.187% kept HG3 LYS+ 56 - HN SER 15 16.667% * 2.5249% (0.20 0.69 0.37) = 2.525% kept Peak 832 (0.81, 10.10, 128.89 ppm): 6 chemical-shift based assignments, quality = 0.713, support = 2.67, residual support = 7.92: QG2 VAL 61 - HN SER 15 16.667% * 35.0854% (0.84 2.59 1.02) = 35.085% kept QD1 ILE 14 - HN SER 15 16.667% * 26.0164% (0.31 5.19 28.85) = 26.016% kept HG13 ILE 24 - HN SER 15 16.667% * 21.0712% (0.90 1.45 0.27) = 21.071% kept HG LEU 22 - HN SER 15 16.667% * 10.4984% (0.90 0.72 0.02) = 10.498% kept HB2 LEU 76 - HN SER 15 16.667% * 6.4695% (0.87 0.46 0.02) = 6.469% kept QG2 ILE 96 - HN SER 15 16.667% * 0.8591% (0.65 0.08 0.02) = 0.859% Peak 833 (9.55, 8.91, 119.77 ppm): 4 chemical-shift based assignments, quality = 0.0434, support = 4.17, residual support = 24.2: T HN LEU 42 - HN ASP- 41 25.000% * 83.2009% (0.02 10.00 4.98 29.05) = 83.201% kept T HN LEU 42 - HN GLU- 16 25.000% * 11.9000% (0.22 10.00 0.02 0.02) = 11.900% kept HN TYR 93 - HN ASP- 41 25.000% * 3.5663% (0.02 1.00 0.77 0.02) = 3.566% kept HN TYR 93 - HN GLU- 16 25.000% * 1.3328% (0.25 1.00 0.02 0.02) = 1.333% kept Peak 834 (10.09, 8.91, 119.77 ppm): 2 chemical-shift based assignments, quality = 0.764, support = 6.31, residual support = 27.4: T HN SER 15 - HN GLU- 16 50.000% * 99.9301% (0.76 10.00 6.31 27.46) = 99.930% kept T HN SER 15 - HN ASP- 41 50.000% * 0.0699% (0.05 10.00 0.02 0.02) = 0.070% Peak 835 (9.13, 8.91, 119.77 ppm): 4 chemical-shift based assignments, quality = 0.499, support = 1.31, residual support = 4.67: T HN VAL 40 - HN GLU- 16 25.000% * 86.3906% (0.57 10.00 0.98 2.72) = 86.391% kept T HN VAL 40 - HN ASP- 41 25.000% * 12.3869% (0.04 10.00 3.76 18.78) = 12.387% kept HN GLU- 59 - HN GLU- 16 25.000% * 1.2143% (0.38 1.00 0.21 0.02) = 1.214% kept HN GLU- 59 - HN ASP- 41 25.000% * 0.0082% (0.03 1.00 0.02 0.02) = 0.008% Peak 836 (8.24, 8.91, 119.77 ppm): 6 chemical-shift based assignments, quality = 0.347, support = 2.45, residual support = 1.23: HN SER 19 - HN GLU- 16 16.667% * 64.2695% (0.28 3.43 1.81) = 64.270% kept HN ILE 96 - HN GLU- 16 16.667% * 23.8584% (0.61 0.58 0.16) = 23.858% kept HN ASP- 3 - HN GLU- 16 16.667% * 11.7702% (0.20 0.88 0.19) = 11.770% kept HN ILE 96 - HN ASP- 41 16.667% * 0.0571% (0.04 0.02 0.02) = 0.057% HN SER 19 - HN ASP- 41 16.667% * 0.0262% (0.02 0.02 0.02) = 0.026% HN ASP- 3 - HN ASP- 41 16.667% * 0.0186% (0.01 0.02 0.02) = 0.019% Peak 837 (7.99, 8.91, 119.77 ppm): 12 chemical-shift based assignments, quality = 0.745, support = 6.46, residual support = 10.0: T HN SER 18 - HN GLU- 16 8.333% * 84.5479% (0.80 10.00 7.30 10.98) = 84.548% kept HN LEU 26 - HN GLU- 16 8.333% * 5.2993% (0.28 1.00 3.61 14.14) = 5.299% kept HD21 ASN 69 - HN GLU- 16 8.333% * 4.9951% (0.73 1.00 1.30 0.02) = 4.995% kept HN ASP- 44 - HN GLU- 16 8.333% * 2.7148% (0.61 1.00 0.85 0.02) = 2.715% kept T HN SER 18 - HN ASP- 41 8.333% * 1.7364% (0.06 10.00 0.59 0.13) = 1.736% kept HN THR 4 - HN GLU- 16 8.333% * 0.5783% (0.99 1.00 0.11 0.11) = 0.578% HN ALA 34 - HN GLU- 16 8.333% * 0.1019% (0.97 1.00 0.02 0.02) = 0.102% HN THR 4 - HN ASP- 41 8.333% * 0.0073% (0.07 1.00 0.02 0.02) = 0.007% HN ALA 34 - HN ASP- 41 8.333% * 0.0071% (0.07 1.00 0.02 0.02) = 0.007% HD21 ASN 69 - HN ASP- 41 8.333% * 0.0054% (0.05 1.00 0.02 0.02) = 0.005% HN ASP- 44 - HN ASP- 41 8.333% * 0.0045% (0.04 1.00 0.02 0.02) = 0.004% HN LEU 26 - HN ASP- 41 8.333% * 0.0021% (0.02 1.00 0.02 0.02) = 0.002% Peak 838 (7.06, 8.91, 119.77 ppm): 2 chemical-shift based assignments, quality = 0.847, support = 10.3, residual support = 66.7: T HN LYS+ 17 - HN GLU- 16 50.000% * 97.4704% (0.87 10.00 10.58 68.39) = 97.470% kept T HN LYS+ 17 - HN ASP- 41 50.000% * 2.5296% (0.06 10.00 0.74 0.02) = 2.530% kept Peak 839 (5.75, 8.91, 119.77 ppm): 2 chemical-shift based assignments, quality = 0.204, support = 3.45, residual support = 24.5: O HA ASP- 41 - HN ASP- 41 50.000% * 81.3025% (0.06 10.0 4.17 30.09) = 81.302% kept HA ASP- 41 - HN GLU- 16 50.000% * 18.6975% (0.84 1.0 0.32 0.12) = 18.698% kept Peak 840 (5.35, 8.91, 119.77 ppm): 4 chemical-shift based assignments, quality = 0.0204, support = 4.53, residual support = 20.7: HA LEU 42 - HN ASP- 41 25.000% * 67.5889% (0.01 5.60 29.05) = 67.589% kept HA THR 91 - HN ASP- 41 25.000% * 26.2909% (0.01 2.82 4.11) = 26.291% kept HA LEU 42 - HN GLU- 16 25.000% * 3.4523% (0.18 0.02 0.02) = 3.452% kept HA THR 91 - HN GLU- 16 25.000% * 2.6679% (0.14 0.02 0.02) = 2.668% kept Peak 841 (5.10, 8.91, 119.77 ppm): 10 chemical-shift based assignments, quality = 0.375, support = 2.06, residual support = 7.0: O HA VAL 40 - HN ASP- 41 10.000% * 33.0259% (0.05 10.0 4.37 18.78) = 33.026% kept HA VAL 40 - HN GLU- 16 10.000% * 25.6827% (0.65 1.0 1.09 2.72) = 25.683% kept HA LYS+ 56 - HN GLU- 16 10.000% * 21.7513% (0.57 1.0 1.05 0.36) = 21.751% kept HA GLN 83 - HN GLU- 16 10.000% * 8.5132% (0.31 1.0 0.76 0.23) = 8.513% kept HA1 GLY 66 - HN GLU- 16 10.000% * 8.1037% (0.45 1.0 0.50 0.02) = 8.104% kept HA LYS+ 80 - HN GLU- 16 10.000% * 2.8414% (0.28 1.0 0.28 0.02) = 2.841% kept HA LYS+ 56 - HN ASP- 41 10.000% * 0.0289% (0.04 1.0 0.02 0.46) = 0.029% HA1 GLY 66 - HN ASP- 41 10.000% * 0.0229% (0.03 1.0 0.02 0.02) = 0.023% HA GLN 83 - HN ASP- 41 10.000% * 0.0158% (0.02 1.0 0.02 0.02) = 0.016% HA LYS+ 80 - HN ASP- 41 10.000% * 0.0142% (0.02 1.0 0.02 0.02) = 0.014% Peak 842 (4.82, 8.91, 119.77 ppm): 4 chemical-shift based assignments, quality = 0.896, support = 1.63, residual support = 1.17: HA TYR 81 - HN GLU- 16 25.000% * 76.0220% (0.90 1.95 1.46) = 76.022% kept HA TRP 50 - HN GLU- 16 25.000% * 23.8690% (0.90 0.61 0.25) = 23.869% kept HA TYR 81 - HN ASP- 41 25.000% * 0.0545% (0.06 0.02 0.02) = 0.055% HA TRP 50 - HN ASP- 41 25.000% * 0.0545% (0.06 0.02 0.02) = 0.055% Peak 843 (4.59, 8.91, 119.77 ppm): 4 chemical-shift based assignments, quality = 0.291, support = 5.52, residual support = 61.5: HA LYS+ 17 - HN GLU- 16 25.000% * 89.8496% (0.22 6.13 68.39) = 89.850% kept HA1 GLY 79 - HN GLU- 16 25.000% * 9.4016% (0.97 0.15 0.02) = 9.402% kept HA LYS+ 17 - HN ASP- 41 25.000% * 0.6599% (0.02 0.64 0.02) = 0.660% HA1 GLY 79 - HN ASP- 41 25.000% * 0.0889% (0.07 0.02 0.02) = 0.089% Peak 844 (4.36, 8.91, 119.77 ppm): 14 chemical-shift based assignments, quality = 0.872, support = 3.04, residual support = 10.7: HA ILE 14 - HN GLU- 16 7.143% * 80.8877% (0.97 3.54 13.15) = 80.888% kept HB THR 4 - HN GLU- 16 7.143% * 14.7766% (0.53 1.19 0.11) = 14.777% kept HA THR 4 - HN GLU- 16 7.143% * 1.9017% (0.73 0.11 0.11) = 1.902% kept HA1 GLY 47 - HN GLU- 16 7.143% * 0.8362% (0.45 0.08 0.02) = 0.836% HA ILE 14 - HN ASP- 41 7.143% * 0.5620% (0.07 0.35 0.02) = 0.562% HA ILE 38 - HN GLU- 16 7.143% * 0.4250% (0.90 0.02 0.02) = 0.425% HA PRO 33 - HN GLU- 16 7.143% * 0.3441% (0.73 0.02 0.02) = 0.344% HA ASP- 73 - HN GLU- 16 7.143% * 0.1463% (0.31 0.02 0.02) = 0.146% HA ILE 38 - HN ASP- 41 7.143% * 0.0297% (0.06 0.02 0.16) = 0.030% HA THR 4 - HN ASP- 41 7.143% * 0.0241% (0.05 0.02 0.02) = 0.024% HA PRO 33 - HN ASP- 41 7.143% * 0.0241% (0.05 0.02 0.02) = 0.024% HB THR 4 - HN ASP- 41 7.143% * 0.0174% (0.04 0.02 0.02) = 0.017% HA1 GLY 47 - HN ASP- 41 7.143% * 0.0149% (0.03 0.02 0.02) = 0.015% HA ASP- 73 - HN ASP- 41 7.143% * 0.0102% (0.02 0.02 0.02) = 0.010% Peak 845 (4.12, 8.91, 119.77 ppm): 12 chemical-shift based assignments, quality = 0.483, support = 4.83, residual support = 58.4: O HA GLU- 16 - HN GLU- 16 8.333% * 90.2923% (0.49 10.0 5.28 64.66) = 90.292% kept HB THR 39 - HN GLU- 16 8.333% * 4.3594% (0.65 1.0 0.73 0.02) = 4.359% kept QB SER 19 - HN GLU- 16 8.333% * 2.4597% (0.31 1.0 0.86 1.81) = 2.460% kept HA ILE 95 - HN GLU- 16 8.333% * 1.9389% (0.41 1.0 0.51 0.02) = 1.939% kept HB THR 39 - HN ASP- 41 8.333% * 0.6743% (0.05 1.0 1.61 0.14) = 0.674% HA GLU- 30 - HN GLU- 16 8.333% * 0.1855% (1.00 1.0 0.02 0.02) = 0.185% HA LEU 26 - HN GLU- 16 8.333% * 0.0573% (0.31 1.0 0.02 14.14) = 0.057% HA GLU- 30 - HN ASP- 41 8.333% * 0.0130% (0.07 1.0 0.02 0.02) = 0.013% HA GLU- 16 - HN ASP- 41 8.333% * 0.0063% (0.03 1.0 0.02 0.12) = 0.006% HA ILE 95 - HN ASP- 41 8.333% * 0.0053% (0.03 1.0 0.02 0.02) = 0.005% QB SER 19 - HN ASP- 41 8.333% * 0.0040% (0.02 1.0 0.02 0.02) = 0.004% HA LEU 26 - HN ASP- 41 8.333% * 0.0040% (0.02 1.0 0.02 0.02) = 0.004% Peak 846 (3.98, 8.91, 119.77 ppm): 8 chemical-shift based assignments, quality = 0.486, support = 5.79, residual support = 26.2: HB2 SER 15 - HN GLU- 16 12.500% * 95.2475% (0.49 6.06 27.46) = 95.247% kept HB THR 51 - HN GLU- 16 12.500% * 4.3410% (0.53 0.26 0.02) = 4.341% kept HA LYS+ 72 - HN GLU- 16 12.500% * 0.2423% (0.38 0.02 0.02) = 0.242% HA1 GLY 5 - HN GLU- 16 12.500% * 0.0996% (0.15 0.02 0.02) = 0.100% HB THR 51 - HN ASP- 41 12.500% * 0.0237% (0.04 0.02 2.23) = 0.024% HB2 SER 15 - HN ASP- 41 12.500% * 0.0220% (0.03 0.02 0.02) = 0.022% HA LYS+ 72 - HN ASP- 41 12.500% * 0.0169% (0.03 0.02 0.02) = 0.017% HA1 GLY 5 - HN ASP- 41 12.500% * 0.0070% (0.01 0.02 0.02) = 0.007% Peak 847 (3.50, 8.91, 119.77 ppm): 10 chemical-shift based assignments, quality = 0.437, support = 4.03, residual support = 20.6: HB3 SER 15 - HN GLU- 16 10.000% * 74.7893% (0.41 5.17 27.46) = 74.789% kept HA GLU- 23 - HN GLU- 16 10.000% * 16.6634% (0.61 0.78 0.29) = 16.663% kept HA LEU 76 - HN GLU- 16 10.000% * 4.8592% (0.45 0.31 0.02) = 4.859% kept QB SER 49 - HN GLU- 16 10.000% * 3.4222% (0.20 0.49 0.02) = 3.422% kept HD3 PRO 37 - HN GLU- 16 10.000% * 0.1086% (0.15 0.02 0.02) = 0.109% HB3 SER 15 - HN ASP- 41 10.000% * 0.0880% (0.03 0.09 0.02) = 0.088% HA GLU- 23 - HN ASP- 41 10.000% * 0.0299% (0.04 0.02 0.02) = 0.030% HA LEU 76 - HN ASP- 41 10.000% * 0.0221% (0.03 0.02 0.45) = 0.022% QB SER 49 - HN ASP- 41 10.000% * 0.0097% (0.01 0.02 0.02) = 0.010% HD3 PRO 37 - HN ASP- 41 10.000% * 0.0076% (0.01 0.02 0.02) = 0.008% Peak 848 (2.57, 8.91, 119.77 ppm): 12 chemical-shift based assignments, quality = 0.776, support = 1.06, residual support = 3.25: HB3 TYR 81 - HN GLU- 16 8.333% * 34.4277% (0.76 1.0 0.98 1.46) = 34.428% kept HB3 PHE 13 - HN GLU- 16 8.333% * 29.9364% (0.99 1.0 0.66 0.15) = 29.936% kept HE2 LYS+ 56 - HN GLU- 16 8.333% * 21.8992% (0.97 1.0 0.49 0.36) = 21.899% kept O HB3 ASP- 41 - HN ASP- 41 8.333% * 8.7007% (0.01 10.0 4.61 30.09) = 8.701% kept HB3 ASP- 41 - HN GLU- 16 8.333% * 2.0009% (0.14 1.0 0.32 0.12) = 2.001% kept HB3 PHE 13 - HN ASP- 41 8.333% * 1.8627% (0.07 1.0 0.58 0.02) = 1.863% kept HG3 MET 1 - HN GLU- 16 8.333% * 0.7363% (0.80 1.0 0.02 0.02) = 0.736% HD3 PRO 35 - HN GLU- 16 8.333% * 0.2557% (0.28 1.0 0.02 0.02) = 0.256% HE2 LYS+ 56 - HN ASP- 41 8.333% * 0.0620% (0.07 1.0 0.02 0.46) = 0.062% HG3 MET 1 - HN ASP- 41 8.333% * 0.0515% (0.06 1.0 0.02 0.02) = 0.051% HB3 TYR 81 - HN ASP- 41 8.333% * 0.0491% (0.05 1.0 0.02 0.02) = 0.049% HD3 PRO 35 - HN ASP- 41 8.333% * 0.0179% (0.02 1.0 0.02 0.02) = 0.018% Peak 849 (2.25, 8.91, 119.77 ppm): 6 chemical-shift based assignments, quality = 0.86, support = 1.57, residual support = 0.704: HB2 PRO 25 - HN GLU- 16 16.667% * 63.0884% (0.95 1.94 0.92) = 63.088% kept HB3 GLN 8 - HN GLU- 16 16.667% * 27.2721% (0.87 0.91 0.37) = 27.272% kept HG2 GLN 83 - HN GLU- 16 16.667% * 9.5390% (0.28 1.00 0.23) = 9.539% kept HB2 PRO 25 - HN ASP- 41 16.667% * 0.0455% (0.07 0.02 0.02) = 0.045% HB3 GLN 8 - HN ASP- 41 16.667% * 0.0417% (0.06 0.02 0.02) = 0.042% HG2 GLN 83 - HN ASP- 41 16.667% * 0.0134% (0.02 0.02 0.02) = 0.013% Peak 850 (2.08, 8.91, 119.77 ppm): 12 chemical-shift based assignments, quality = 0.462, support = 4.56, residual support = 52.1: O HB2 GLU- 16 - HN GLU- 16 8.333% * 80.3138% (0.41 10.0 5.34 64.66) = 80.314% kept HG3 GLN 83 - HN GLU- 16 8.333% * 9.7938% (0.73 1.0 1.38 0.23) = 9.794% kept HG2 MET 54 - HN GLU- 16 8.333% * 9.3900% (0.65 1.0 1.49 1.53) = 9.390% kept HB2 LYS+ 11 - HN GLU- 16 8.333% * 0.1954% (1.00 1.0 0.02 0.02) = 0.195% QB ARG+ 88 - HN GLU- 16 8.333% * 0.1848% (0.95 1.0 0.02 0.02) = 0.185% HB3 PRO 37 - HN GLU- 16 8.333% * 0.0666% (0.34 1.0 0.02 0.02) = 0.067% HB2 LYS+ 11 - HN ASP- 41 8.333% * 0.0137% (0.07 1.0 0.02 0.02) = 0.014% QB ARG+ 88 - HN ASP- 41 8.333% * 0.0129% (0.07 1.0 0.02 0.02) = 0.013% HG3 GLN 83 - HN ASP- 41 8.333% * 0.0099% (0.05 1.0 0.02 0.02) = 0.010% HG2 MET 54 - HN ASP- 41 8.333% * 0.0088% (0.05 1.0 0.02 0.02) = 0.009% HB2 GLU- 16 - HN ASP- 41 8.333% * 0.0056% (0.03 1.0 0.02 0.12) = 0.006% HB3 PRO 37 - HN ASP- 41 8.333% * 0.0047% (0.02 1.0 0.02 0.02) = 0.005% Peak 851 (1.90, 8.91, 119.77 ppm): 12 chemical-shift based assignments, quality = 0.964, support = 5.2, residual support = 57.5: HB2 LYS+ 17 - HN GLU- 16 8.333% * 84.1017% (1.00 6.11 68.39) = 84.102% kept HB VAL 7 - HN GLU- 16 8.333% * 7.3253% (0.87 0.61 0.02) = 7.325% kept QB LYS+ 80 - HN GLU- 16 8.333% * 3.4655% (0.90 0.28 0.02) = 3.465% kept HB3 GLU- 59 - HN GLU- 16 8.333% * 2.5601% (0.90 0.21 0.02) = 2.560% kept HB VAL 71 - HN GLU- 16 8.333% * 1.5872% (0.45 0.26 0.02) = 1.587% kept HB2 LYS+ 17 - HN ASP- 41 8.333% * 0.6972% (0.07 0.72 0.02) = 0.697% QB PHE 70 - HN GLU- 16 8.333% * 0.1897% (0.69 0.02 0.02) = 0.190% QB LYS+ 80 - HN ASP- 41 8.333% * 0.0173% (0.06 0.02 0.02) = 0.017% HB3 GLU- 59 - HN ASP- 41 8.333% * 0.0173% (0.06 0.02 0.02) = 0.017% HB VAL 7 - HN ASP- 41 8.333% * 0.0167% (0.06 0.02 0.02) = 0.017% QB PHE 70 - HN ASP- 41 8.333% * 0.0133% (0.05 0.02 0.02) = 0.013% HB VAL 71 - HN ASP- 41 8.333% * 0.0087% (0.03 0.02 0.53) = 0.009% Peak 852 (1.24, 8.91, 119.77 ppm): 8 chemical-shift based assignments, quality = 0.725, support = 0.903, residual support = 2.46: HB3 LEU 82 - HN GLU- 16 12.500% * 36.4692% (0.99 0.58 0.41) = 36.469% kept QG1 VAL 65 - HN GLU- 16 12.500% * 35.0529% (0.53 1.04 1.27) = 35.053% kept HB3 LYS+ 56 - HN GLU- 16 12.500% * 20.4013% (0.87 0.37 0.36) = 20.401% kept HB3 LEU 42 - HN ASP- 41 12.500% * 6.1433% (0.02 4.03 29.05) = 6.143% kept HB3 LYS+ 56 - HN ASP- 41 12.500% * 1.3621% (0.06 0.35 0.46) = 1.362% kept HB3 LEU 42 - HN GLU- 16 12.500% * 0.4357% (0.34 0.02 0.02) = 0.436% HB3 LEU 82 - HN ASP- 41 12.500% * 0.0885% (0.07 0.02 0.02) = 0.089% QG1 VAL 65 - HN ASP- 41 12.500% * 0.0470% (0.04 0.02 0.02) = 0.047% Peak 853 (0.96, 8.91, 119.77 ppm): 14 chemical-shift based assignments, quality = 0.92, support = 4.26, residual support = 8.02: QG2 ILE 14 - HN GLU- 16 7.143% * 59.9963% (1.00 6.23 13.15) = 59.996% kept QG2 VAL 52 - HN GLU- 16 7.143% * 13.1143% (0.80 1.70 0.33) = 13.114% kept QD2 LEU 82 - HN GLU- 16 7.143% * 12.0925% (0.95 1.33 0.41) = 12.092% kept HB3 ARG+ 48 - HN GLU- 16 7.143% * 5.6325% (0.73 0.81 0.02) = 5.632% kept HG3 LYS+ 56 - HN GLU- 16 7.143% * 4.8796% (1.00 0.51 0.36) = 4.880% kept QG2 THR 64 - HN GLU- 16 7.143% * 4.1125% (0.28 1.54 0.50) = 4.112% kept QG2 ILE 85 - HN GLU- 16 7.143% * 0.1013% (0.53 0.02 0.02) = 0.101% QG2 ILE 14 - HN ASP- 41 7.143% * 0.0135% (0.07 0.02 0.02) = 0.013% HG3 LYS+ 56 - HN ASP- 41 7.143% * 0.0134% (0.07 0.02 0.46) = 0.013% QD2 LEU 82 - HN ASP- 41 7.143% * 0.0127% (0.07 0.02 0.02) = 0.013% QG2 VAL 52 - HN ASP- 41 7.143% * 0.0108% (0.06 0.02 0.28) = 0.011% HB3 ARG+ 48 - HN ASP- 41 7.143% * 0.0098% (0.05 0.02 0.02) = 0.010% QG2 ILE 85 - HN ASP- 41 7.143% * 0.0071% (0.04 0.02 0.52) = 0.007% QG2 THR 64 - HN ASP- 41 7.143% * 0.0037% (0.02 0.02 0.02) = 0.004% Peak 854 (0.81, 8.91, 119.77 ppm): 12 chemical-shift based assignments, quality = 0.738, support = 2.32, residual support = 3.45: QG2 VAL 61 - HN GLU- 16 8.333% * 26.3416% (0.84 2.30 1.27) = 26.342% kept HG13 ILE 24 - HN GLU- 16 8.333% * 20.9404% (0.90 1.70 1.11) = 20.940% kept HG LEU 22 - HN GLU- 16 8.333% * 20.0339% (0.90 1.63 1.20) = 20.034% kept QD1 ILE 14 - HN GLU- 16 8.333% * 19.9563% (0.31 4.72 13.15) = 19.956% kept QG2 ILE 96 - HN GLU- 16 8.333% * 8.1487% (0.65 0.92 0.16) = 8.149% kept HB2 LEU 76 - HN GLU- 16 8.333% * 4.1456% (0.87 0.35 0.02) = 4.146% kept QD1 ILE 14 - HN ASP- 41 8.333% * 0.3542% (0.02 1.20 0.02) = 0.354% HG13 ILE 24 - HN ASP- 41 8.333% * 0.0172% (0.06 0.02 0.02) = 0.017% HG LEU 22 - HN ASP- 41 8.333% * 0.0172% (0.06 0.02 0.02) = 0.017% HB2 LEU 76 - HN ASP- 41 8.333% * 0.0166% (0.06 0.02 0.45) = 0.017% QG2 VAL 61 - HN ASP- 41 8.333% * 0.0160% (0.06 0.02 0.02) = 0.016% QG2 ILE 96 - HN ASP- 41 8.333% * 0.0124% (0.05 0.02 0.02) = 0.012% Peak 855 (0.57, 8.91, 119.77 ppm): 4 chemical-shift based assignments, quality = 0.985, support = 1.83, residual support = 1.18: QD2 LEU 63 - HN GLU- 16 25.000% * 51.8371% (0.99 1.89 1.15) = 51.837% kept QD2 LEU 22 - HN GLU- 16 25.000% * 48.0867% (0.98 1.77 1.20) = 48.087% kept QD2 LEU 63 - HN ASP- 41 25.000% * 0.0383% (0.07 0.02 0.02) = 0.038% QD2 LEU 22 - HN ASP- 41 25.000% * 0.0379% (0.07 0.02 0.02) = 0.038% Peak 856 (7.27, 7.06, 114.28 ppm): 2 chemical-shift based assignments, quality = 0.647, support = 6.34, residual support = 28.3: T HN ILE 14 - HN LYS+ 17 50.000% * 86.1138% (0.65 10.00 6.84 32.63) = 86.114% kept HN SER 49 - HN LYS+ 17 50.000% * 13.8862% (0.65 1.00 3.23 1.42) = 13.886% kept Peak 857 (8.01, 7.06, 114.28 ppm): 9 chemical-shift based assignments, quality = 0.614, support = 8.23, residual support = 36.7: T HN SER 18 - HN LYS+ 17 11.111% * 61.2051% (0.49 10.00 11.45 57.59) = 61.205% kept HN LEU 26 - HN LYS+ 17 11.111% * 25.3139% (0.97 1.00 4.17 5.53) = 25.314% kept HN ASP- 44 - HN LYS+ 17 11.111% * 5.7667% (0.69 1.00 1.34 0.58) = 5.767% kept HD21 ASN 69 - HN LYS+ 17 11.111% * 5.0656% (0.57 1.00 1.42 0.80) = 5.066% kept HN ARG+ 48 - HN LYS+ 17 11.111% * 1.4079% (0.25 1.00 0.90 0.73) = 1.408% kept HN PHE 28 - HN LYS+ 17 11.111% * 0.5309% (0.49 1.00 0.17 0.02) = 0.531% HN ALA 34 - HN LYS+ 17 11.111% * 0.4146% (0.28 1.00 0.24 0.02) = 0.415% HN THR 4 - HN LYS+ 17 11.111% * 0.2674% (0.22 1.00 0.19 0.02) = 0.267% HN ASP- 87 - HN LYS+ 17 11.111% * 0.0280% (0.22 1.00 0.02 0.02) = 0.028% Peak 858 (8.25, 7.06, 114.28 ppm): 2 chemical-shift based assignments, quality = 0.575, support = 1.08, residual support = 0.84: HN ASP- 3 - HN LYS+ 17 50.000% * 78.8986% (0.69 1.04 0.95) = 78.899% kept HN ILE 96 - HN LYS+ 17 50.000% * 21.1014% (0.15 1.24 0.43) = 21.101% kept Peak 859 (8.92, 7.06, 114.28 ppm): 4 chemical-shift based assignments, quality = 0.831, support = 7.53, residual support = 47.1: T HN GLU- 16 - HN LYS+ 17 25.000% * 68.8079% (0.84 10.00 10.58 68.39) = 68.808% kept T HN ASP- 41 - HN LYS+ 17 25.000% * 25.5413% (0.84 10.00 0.74 0.02) = 25.541% kept HN VAL 65 - HN LYS+ 17 25.000% * 3.6426% (0.97 1.00 0.92 0.15) = 3.643% kept HN LEU 63 - HN LYS+ 17 25.000% * 2.0082% (0.41 1.00 1.19 0.55) = 2.008% kept Peak 860 (5.99, 7.06, 114.28 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 5.8, residual support = 57.6: HA SER 18 - HN LYS+ 17 100.000% *100.0000% (0.98 5.80 57.59) = 100.000% kept Peak 861 (4.57, 7.06, 114.28 ppm): 1 chemical-shift based assignment, quality = 0.991, support = 8.94, residual support = 220.8: O HA LYS+ 17 - HN LYS+ 17 100.000% *100.0000% (0.99 10.0 8.94 220.78) = 100.000% kept Peak 862 (4.13, 7.06, 114.28 ppm): 6 chemical-shift based assignments, quality = 0.946, support = 6.38, residual support = 58.5: O HA GLU- 16 - HN LYS+ 17 16.667% * 84.5653% (0.97 10.0 7.25 68.39) = 84.565% kept QB SER 19 - HN LYS+ 17 16.667% * 7.9604% (0.84 1.0 2.18 4.53) = 7.960% kept HA LEU 26 - HN LYS+ 17 16.667% * 5.0174% (0.84 1.0 1.37 5.53) = 5.017% kept HA ILE 95 - HN LYS+ 17 16.667% * 2.3125% (0.92 1.0 0.57 0.02) = 2.312% kept HB THR 39 - HN LYS+ 17 16.667% * 0.0876% (1.00 1.0 0.02 0.02) = 0.088% HA GLU- 30 - HN LYS+ 17 16.667% * 0.0567% (0.65 1.0 0.02 0.98) = 0.057% Peak 863 (2.92, 7.06, 114.28 ppm): 2 chemical-shift based assignments, quality = 0.785, support = 0.02, residual support = 0.02: QB ASN 29 - HN LYS+ 17 50.000% * 53.4943% (0.84 0.02 0.02) = 53.494% kept HB2 TYR 93 - HN LYS+ 17 50.000% * 46.5057% (0.73 0.02 0.02) = 46.506% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 864 (2.26, 7.06, 114.28 ppm): 5 chemical-shift based assignments, quality = 0.556, support = 3.59, residual support = 15.8: HB2 PRO 25 - HN LYS+ 17 20.000% * 31.8928% (0.45 4.38 5.56) = 31.893% kept HG2 GLN 83 - HN LYS+ 17 20.000% * 27.3940% (0.80 2.10 0.95) = 27.394% kept QG GLU- 16 - HN LYS+ 17 20.000% * 20.0298% (0.18 7.04 68.39) = 20.030% kept HB3 GLN 8 - HN LYS+ 17 20.000% * 15.2011% (0.92 1.01 0.15) = 15.201% kept HB VAL 40 - HN LYS+ 17 20.000% * 5.4823% (0.34 0.99 0.10) = 5.482% kept Peak 865 (2.08, 7.06, 114.28 ppm): 6 chemical-shift based assignments, quality = 0.558, support = 4.64, residual support = 36.5: HB2 GLU- 16 - HN LYS+ 17 16.667% * 52.2405% (0.41 7.49 68.39) = 52.241% kept HG3 GLN 83 - HN LYS+ 17 16.667% * 20.3970% (0.73 1.66 0.95) = 20.397% kept HG2 MET 54 - HN LYS+ 17 16.667% * 19.9375% (0.65 1.82 3.05) = 19.937% kept QB ARG+ 88 - HN LYS+ 17 16.667% * 6.9700% (0.95 0.43 0.02) = 6.970% kept HB2 LYS+ 11 - HN LYS+ 17 16.667% * 0.3392% (1.00 0.02 0.02) = 0.339% HB3 PRO 37 - HN LYS+ 17 16.667% * 0.1157% (0.34 0.02 0.02) = 0.116% Peak 866 (1.87, 7.06, 114.28 ppm): 11 chemical-shift based assignments, quality = 0.449, support = 4.91, residual support = 102.0: O HB2 LYS+ 17 - HN LYS+ 17 9.091% * 45.9001% (0.15 10.0 9.09 220.78) = 45.900% kept HB3 PRO 33 - HN LYS+ 17 9.091% * 18.9673% (0.65 1.0 1.97 0.26) = 18.967% kept QB MET 54 - HN LYS+ 17 9.091% * 18.7099% (0.87 1.0 1.45 3.05) = 18.710% kept QB PHE 70 - HN LYS+ 17 9.091% * 6.7266% (0.61 1.0 0.75 0.02) = 6.727% kept HG3 PRO 33 - HN LYS+ 17 9.091% * 5.0014% (0.45 1.0 0.75 0.26) = 5.001% kept QB LYS+ 72 - HN LYS+ 17 9.091% * 3.2565% (0.92 1.0 0.24 1.66) = 3.256% kept HB VAL 7 - HN LYS+ 17 9.091% * 0.5641% (0.41 1.0 0.09 0.02) = 0.564% HB3 GLU- 59 - HN LYS+ 17 9.091% * 0.5005% (0.38 1.0 0.09 0.02) = 0.501% HB3 LYS+ 11 - HN LYS+ 17 9.091% * 0.2160% (0.73 1.0 0.02 0.02) = 0.216% QB LYS+ 80 - HN LYS+ 17 9.091% * 0.1116% (0.38 1.0 0.02 0.02) = 0.112% HB3 ARG+ 90 - HN LYS+ 17 9.091% * 0.0459% (0.15 1.0 0.02 0.02) = 0.046% Peak 867 (1.69, 7.06, 114.28 ppm): 11 chemical-shift based assignments, quality = 0.677, support = 3.86, residual support = 69.8: QD LYS+ 17 - HN LYS+ 17 9.091% * 30.3801% (0.45 7.92 220.78) = 30.380% kept HG2 PRO 25 - HN LYS+ 17 9.091% * 23.0163% (0.97 2.79 5.56) = 23.016% kept HD3 LYS+ 55 - HN LYS+ 17 9.091% * 15.5626% (0.90 2.03 3.66) = 15.563% kept HG LEU 26 - HN LYS+ 17 9.091% * 10.5405% (0.57 2.18 5.53) = 10.541% kept QD LYS+ 60 - HN LYS+ 17 9.091% * 8.4506% (0.65 1.53 0.38) = 8.451% kept HB3 LYS+ 55 - HN LYS+ 17 9.091% * 7.6039% (0.69 1.29 3.66) = 7.604% kept QB GLU- 30 - HN LYS+ 17 9.091% * 3.3674% (0.38 1.05 0.98) = 3.367% kept HB2 GLU- 23 - HN LYS+ 17 9.091% * 0.9393% (0.18 0.63 0.13) = 0.939% HB2 LEU 43 - HN LYS+ 17 9.091% * 0.0703% (0.41 0.02 0.02) = 0.070% QD LYS+ 11 - HN LYS+ 17 9.091% * 0.0427% (0.25 0.02 0.02) = 0.043% QB PRO 12 - HN LYS+ 17 9.091% * 0.0264% (0.15 0.02 0.02) = 0.026% Peak 868 (1.48, 7.06, 114.28 ppm): 6 chemical-shift based assignments, quality = 0.726, support = 5.99, residual support = 141.0: HG3 LYS+ 17 - HN LYS+ 17 16.667% * 63.7937% (0.65 8.57 220.78) = 63.794% kept HG2 ARG+ 48 - HN LYS+ 17 16.667% * 20.3905% (0.97 1.84 0.73) = 20.390% kept HB3 GLU- 23 - HN LYS+ 17 16.667% * 10.9202% (0.73 1.31 0.13) = 10.920% kept HB3 PHE 84 - HN LYS+ 17 16.667% * 2.4980% (0.92 0.24 0.02) = 2.498% kept HG3 LYS+ 72 - HN LYS+ 17 16.667% * 1.2235% (0.45 0.24 1.66) = 1.224% kept HG12 ILE 95 - HN LYS+ 17 16.667% * 1.1742% (0.73 0.14 0.02) = 1.174% kept Peak 869 (1.35, 7.06, 114.28 ppm): 7 chemical-shift based assignments, quality = 0.605, support = 5.18, residual support = 96.2: HG2 LYS+ 17 - HN LYS+ 17 14.286% * 40.1970% (0.53 8.37 220.78) = 40.197% kept HG12 ILE 14 - HN LYS+ 17 14.286% * 20.7650% (0.41 5.54 32.63) = 20.765% kept QG LYS+ 55 - HN LYS+ 17 14.286% * 15.1203% (0.92 1.79 3.66) = 15.120% kept QG LYS+ 60 - HN LYS+ 17 14.286% * 12.8689% (0.76 1.85 0.38) = 12.869% kept HG LEU 63 - HN LYS+ 17 14.286% * 9.1660% (0.61 1.66 0.55) = 9.166% kept QB ALA 34 - HN LYS+ 17 14.286% * 1.8077% (0.84 0.24 0.02) = 1.808% kept HG2 ARG+ 88 - HN LYS+ 17 14.286% * 0.0750% (0.41 0.02 0.02) = 0.075% Peak 870 (0.94, 7.06, 114.28 ppm): 6 chemical-shift based assignments, quality = 0.53, support = 4.88, residual support = 9.03: QD1 LEU 26 - HN LYS+ 17 16.667% * 52.8020% (0.69 5.62 5.53) = 52.802% kept QG2 ILE 14 - HN LYS+ 17 16.667% * 18.2570% (0.18 7.63 32.63) = 18.257% kept HB3 ARG+ 48 - HN LYS+ 17 16.667% * 16.5401% (0.57 2.14 0.73) = 16.540% kept QD2 LEU 82 - HN LYS+ 17 16.667% * 7.6871% (0.31 1.82 0.41) = 7.687% kept QG2 VAL 52 - HN LYS+ 17 16.667% * 2.8758% (0.49 0.43 0.02) = 2.876% kept HG3 LYS+ 56 - HN LYS+ 17 16.667% * 1.8381% (0.20 0.68 0.02) = 1.838% kept Peak 871 (8.22, 8.00, 113.47 ppm): 3 chemical-shift based assignments, quality = 0.815, support = 4.08, residual support = 14.5: T HN SER 19 - HN SER 18 33.333% * 92.6002% (0.80 10.00 4.30 15.60) = 92.600% kept HN ILE 96 - HN SER 18 33.333% * 7.3435% (1.00 1.00 1.27 0.41) = 7.344% kept HN GLU- 6 - HN SER 18 33.333% * 0.0563% (0.49 1.00 0.02 0.02) = 0.056% Peak 872 (8.94, 8.00, 113.47 ppm): 3 chemical-shift based assignments, quality = 0.627, support = 3.89, residual support = 5.38: T HN GLU- 16 - HN SER 18 33.333% * 48.1397% (0.31 10.00 7.30 10.98) = 48.140% kept T HN ASP- 41 - HN SER 18 33.333% * 43.3381% (0.95 10.00 0.59 0.13) = 43.338% kept HN VAL 65 - HN SER 18 33.333% * 8.5222% (0.80 1.00 1.36 0.49) = 8.522% kept Peak 873 (7.27, 8.00, 113.47 ppm): 2 chemical-shift based assignments, quality = 0.647, support = 5.15, residual support = 7.38: T HN ILE 14 - HN SER 18 50.000% * 80.6177% (0.65 10.00 5.23 8.27) = 80.618% kept HN SER 49 - HN SER 18 50.000% * 19.3823% (0.65 1.00 4.81 3.68) = 19.382% kept Peak 874 (7.08, 8.00, 113.47 ppm): 2 chemical-shift based assignments, quality = 0.336, support = 10.5, residual support = 52.8: T HN LYS+ 17 - HN SER 18 50.000% * 91.6212% (0.34 10.00 11.45 57.59) = 91.621% kept T HD22 ASN 69 - HN SER 18 50.000% * 8.3788% (0.28 10.00 0.22 0.02) = 8.379% kept Peak 875 (5.97, 8.00, 113.47 ppm): 1 chemical-shift based assignment, quality = 0.526, support = 5.5, residual support = 44.4: O HA SER 18 - HN SER 18 100.000% *100.0000% (0.53 10.0 5.50 44.36) = 100.000% kept Peak 876 (4.80, 8.00, 113.47 ppm): 3 chemical-shift based assignments, quality = 0.594, support = 1.12, residual support = 0.627: HA THR 64 - HN SER 18 33.333% * 40.3919% (0.45 1.53 0.82) = 40.392% kept HA TYR 81 - HN SER 18 33.333% * 36.2676% (0.90 0.69 0.64) = 36.268% kept HA TRP 50 - HN SER 18 33.333% * 23.3405% (0.38 1.06 0.28) = 23.341% kept Peak 877 (4.54, 8.00, 113.47 ppm): 2 chemical-shift based assignments, quality = 0.374, support = 5.13, residual support = 40.1: O HB2 SER 18 - HN SER 18 50.000% * 90.4250% (0.34 10.0 5.57 44.36) = 90.425% kept HA LEU 22 - HN SER 18 50.000% * 9.5750% (0.69 1.0 1.05 0.24) = 9.575% kept Peak 878 (4.16, 8.00, 113.47 ppm): 7 chemical-shift based assignments, quality = 0.704, support = 2.93, residual support = 9.4: HA PRO 25 - HN SER 18 14.286% * 34.4084% (0.90 3.10 2.58) = 34.408% kept HA SER 19 - HN SER 18 14.286% * 28.3904% (0.90 2.56 15.60) = 28.390% kept QB SER 19 - HN SER 18 14.286% * 14.8906% (0.45 2.68 15.60) = 14.891% kept HA GLU- 16 - HN SER 18 14.286% * 14.8479% (0.28 4.32 10.98) = 14.848% kept HA LEU 26 - HN SER 18 14.286% * 7.3349% (0.45 1.32 1.77) = 7.335% kept HA ILE 95 - HN SER 18 14.286% * 0.0844% (0.34 0.02 0.02) = 0.084% HB THR 39 - HN SER 18 14.286% * 0.0433% (0.18 0.02 0.02) = 0.043% Peak 879 (3.50, 8.00, 113.47 ppm): 5 chemical-shift based assignments, quality = 0.431, support = 3.61, residual support = 3.17: HB3 SER 15 - HN SER 18 20.000% * 61.9711% (0.41 4.87 3.95) = 61.971% kept HA GLU- 23 - HN SER 18 20.000% * 24.7684% (0.61 1.32 0.99) = 24.768% kept QB SER 49 - HN SER 18 20.000% * 12.8872% (0.20 2.10 3.68) = 12.887% kept HA LEU 76 - HN SER 18 20.000% * 0.2777% (0.45 0.02 0.02) = 0.278% HD3 PRO 37 - HN SER 18 20.000% * 0.0956% (0.15 0.02 0.02) = 0.096% Peak 880 (3.18, 8.00, 113.47 ppm): 4 chemical-shift based assignments, quality = 0.857, support = 4.77, residual support = 43.6: O HB3 SER 18 - HN SER 18 25.000% * 98.2297% (0.87 10.0 4.84 44.36) = 98.230% kept HB2 ASN 69 - HN SER 18 25.000% * 1.6349% (0.31 1.0 0.94 0.02) = 1.635% kept HD3 ARG+ 90 - HN SER 18 25.000% * 0.1130% (1.00 1.0 0.02 0.02) = 0.113% QB HIS 99 - HN SER 18 25.000% * 0.0224% (0.20 1.0 0.02 0.02) = 0.022% Peak 881 (2.97, 8.00, 113.47 ppm): 9 chemical-shift based assignments, quality = 0.696, support = 2.96, residual support = 22.5: QE LYS+ 17 - HN SER 18 11.111% * 38.1216% (0.53 5.77 57.59) = 38.122% kept HD3 ARG+ 48 - HN SER 18 11.111% * 15.7717% (0.95 1.33 1.66) = 15.772% kept QE LYS+ 55 - HN SER 18 11.111% * 14.9298% (0.80 1.48 0.93) = 14.930% kept HE3 LYS+ 60 - HN SER 18 11.111% * 12.6736% (0.76 1.32 0.83) = 12.674% kept HB2 ASP- 89 - HN SER 18 11.111% * 10.2704% (0.69 1.19 0.02) = 10.270% kept HD3 ARG+ 88 - HN SER 18 11.111% * 4.5475% (0.98 0.37 0.02) = 4.547% kept HB3 PHE 9 - HN SER 18 11.111% * 3.5380% (0.41 0.68 0.02) = 3.538% kept QE LYS+ 11 - HN SER 18 11.111% * 0.0776% (0.31 0.02 0.02) = 0.078% QE LYS+ 72 - HN SER 18 11.111% * 0.0699% (0.28 0.02 0.02) = 0.070% Peak 882 (2.26, 8.00, 113.47 ppm): 5 chemical-shift based assignments, quality = 0.545, support = 1.99, residual support = 3.34: HG2 GLN 83 - HN SER 18 20.000% * 32.8480% (0.80 1.35 0.84) = 32.848% kept HB2 PRO 25 - HN SER 18 20.000% * 29.2450% (0.45 2.15 2.58) = 29.245% kept QG GLU- 16 - HN SER 18 20.000% * 21.0319% (0.18 3.95 10.98) = 21.032% kept HB3 GLN 8 - HN SER 18 20.000% * 9.6330% (0.92 0.34 0.02) = 9.633% kept HB VAL 40 - HN SER 18 20.000% * 7.2420% (0.34 0.70 0.02) = 7.242% kept Peak 883 (2.08, 8.00, 113.47 ppm): 6 chemical-shift based assignments, quality = 0.572, support = 2.52, residual support = 5.47: HB2 GLU- 16 - HN SER 18 16.667% * 47.5201% (0.41 4.12 10.98) = 47.520% kept HG3 GLN 83 - HN SER 18 16.667% * 27.6852% (0.73 1.36 0.84) = 27.685% kept HG2 MET 54 - HN SER 18 16.667% * 17.2621% (0.65 0.95 0.12) = 17.262% kept QB ARG+ 88 - HN SER 18 16.667% * 6.7806% (0.95 0.26 0.02) = 6.781% kept HB2 LYS+ 11 - HN SER 18 16.667% * 0.5607% (1.00 0.02 0.02) = 0.561% HB3 PRO 37 - HN SER 18 16.667% * 0.1912% (0.34 0.02 0.02) = 0.191% Peak 884 (1.89, 8.00, 113.47 ppm): 9 chemical-shift based assignments, quality = 0.653, support = 6.12, residual support = 43.2: HB2 LYS+ 17 - HN SER 18 11.111% * 75.0184% (0.61 7.97 57.59) = 75.018% kept QB PHE 70 - HN SER 18 11.111% * 10.6402% (1.00 0.69 0.16) = 10.640% kept HB3 GLU- 59 - HN SER 18 11.111% * 4.8056% (0.90 0.35 0.02) = 4.806% kept QB MET 54 - HN SER 18 11.111% * 3.0539% (0.34 0.58 0.12) = 3.054% kept HB3 PRO 33 - HN SER 18 11.111% * 2.5438% (0.18 0.94 0.02) = 2.544% kept QB LYS+ 80 - HN SER 18 11.111% * 2.2449% (0.90 0.16 0.02) = 2.245% kept HB VAL 7 - HN SER 18 11.111% * 1.4967% (0.92 0.10 0.02) = 1.497% kept QB LYS+ 72 - HN SER 18 11.111% * 0.1276% (0.41 0.02 0.02) = 0.128% HB3 LYS+ 11 - HN SER 18 11.111% * 0.0691% (0.22 0.02 0.02) = 0.069% Peak 885 (1.70, 8.00, 113.47 ppm): 8 chemical-shift based assignments, quality = 0.781, support = 1.23, residual support = 1.29: HD3 LYS+ 55 - HN SER 18 12.500% * 26.4728% (0.90 1.56 0.93) = 26.473% kept HG LEU 26 - HN SER 18 12.500% * 19.0959% (0.99 1.02 1.77) = 19.096% kept HG2 PRO 25 - HN SER 18 12.500% * 16.7893% (0.49 1.82 2.58) = 16.789% kept QD LYS+ 60 - HN SER 18 12.500% * 14.1969% (1.00 0.75 0.83) = 14.197% kept HB2 GLU- 23 - HN SER 18 12.500% * 10.3076% (0.65 0.84 0.99) = 10.308% kept HB3 LYS+ 55 - HN SER 18 12.500% * 5.8894% (0.20 1.57 0.93) = 5.889% kept QB GLU- 30 - HN SER 18 12.500% * 5.4927% (0.90 0.32 0.02) = 5.493% kept HG12 ILE 38 - HN SER 18 12.500% * 1.7555% (0.18 0.53 0.02) = 1.755% kept Peak 886 (1.48, 8.00, 113.47 ppm): 6 chemical-shift based assignments, quality = 0.747, support = 5.04, residual support = 31.7: HG3 LYS+ 17 - HN SER 18 16.667% * 53.9423% (0.65 7.57 57.59) = 53.942% kept HG2 ARG+ 48 - HN SER 18 16.667% * 28.3475% (0.97 2.67 1.66) = 28.347% kept HB3 GLU- 23 - HN SER 18 16.667% * 12.0171% (0.73 1.50 0.99) = 12.017% kept HG3 LYS+ 72 - HN SER 18 16.667% * 2.8627% (0.45 0.58 0.02) = 2.863% kept HB3 PHE 84 - HN SER 18 16.667% * 2.6704% (0.92 0.26 0.02) = 2.670% kept HG12 ILE 95 - HN SER 18 16.667% * 0.1600% (0.73 0.02 0.02) = 0.160% Peak 887 (1.34, 8.00, 113.47 ppm): 5 chemical-shift based assignments, quality = 0.847, support = 1.85, residual support = 4.48: HG12 ILE 14 - HN SER 18 20.000% * 49.2444% (0.92 2.31 8.27) = 49.244% kept QG LYS+ 60 - HN SER 18 20.000% * 29.1421% (0.98 1.29 0.83) = 29.142% kept QG LYS+ 55 - HN SER 18 20.000% * 17.8040% (0.41 1.87 0.93) = 17.804% kept HG LEU 63 - HN SER 18 20.000% * 3.3723% (1.00 0.15 0.02) = 3.372% kept QB ALA 34 - HN SER 18 20.000% * 0.4372% (0.95 0.02 0.02) = 0.437% Peak 888 (0.94, 8.00, 113.47 ppm): 6 chemical-shift based assignments, quality = 0.538, support = 2.5, residual support = 2.69: QD1 LEU 26 - HN SER 18 16.667% * 45.2722% (0.69 2.56 1.77) = 45.272% kept HB3 ARG+ 48 - HN SER 18 16.667% * 32.4532% (0.57 2.22 1.66) = 32.453% kept QG2 ILE 14 - HN SER 18 16.667% * 16.3600% (0.18 3.63 8.27) = 16.360% kept QD2 LEU 82 - HN SER 18 16.667% * 3.3717% (0.31 0.42 0.02) = 3.372% kept HG3 LYS+ 56 - HN SER 18 16.667% * 2.2921% (0.20 0.45 0.02) = 2.292% kept QG2 VAL 52 - HN SER 18 16.667% * 0.2509% (0.49 0.02 0.02) = 0.251% Peak 889 (8.01, 8.21, 116.42 ppm): 9 chemical-shift based assignments, quality = 0.474, support = 3.94, residual support = 13.9: T HN SER 18 - HN SER 19 11.111% * 88.9041% (0.49 10.00 4.30 15.60) = 88.904% kept HN ALA 34 - HN SER 19 11.111% * 4.2871% (0.28 1.00 1.69 0.38) = 4.287% kept HN ARG+ 48 - HN SER 19 11.111% * 2.9362% (0.25 1.00 1.30 0.55) = 2.936% kept HN LEU 26 - HN SER 19 11.111% * 2.3099% (0.97 1.00 0.26 0.02) = 2.310% kept HN ASP- 44 - HN SER 19 11.111% * 0.5552% (0.69 1.00 0.09 0.02) = 0.555% HN PHE 28 - HN SER 19 11.111% * 0.4636% (0.49 1.00 0.10 0.02) = 0.464% HD21 ASN 69 - HN SER 19 11.111% * 0.4625% (0.57 1.00 0.09 0.02) = 0.462% HN ASP- 87 - HN SER 19 11.111% * 0.0407% (0.22 1.00 0.02 0.02) = 0.041% HN THR 4 - HN SER 19 11.111% * 0.0407% (0.22 1.00 0.02 0.02) = 0.041% Peak 890 (7.25, 8.21, 116.42 ppm): 2 chemical-shift based assignments, quality = 0.647, support = 2.69, residual support = 1.71: HN ILE 14 - HN SER 19 50.000% * 57.2818% (0.65 3.02 2.15) = 57.282% kept HN SER 49 - HN SER 19 50.000% * 42.7182% (0.65 2.25 1.13) = 42.718% kept Peak 891 (7.06, 8.21, 116.42 ppm): 1 chemical-shift based assignment, quality = 0.867, support = 4.13, residual support = 4.53: HN LYS+ 17 - HN SER 19 100.000% *100.0000% (0.87 4.13 4.53) = 100.000% kept Peak 892 (5.96, 8.21, 116.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 893 (4.75, 8.21, 116.42 ppm): 6 chemical-shift based assignments, quality = 0.64, support = 1.33, residual support = 2.63: HA LYS+ 20 - HN SER 19 16.667% * 55.0849% (0.57 1.77 4.51) = 55.085% kept HA ALA 34 - HN SER 19 16.667% * 37.5804% (0.73 0.94 0.38) = 37.580% kept HA LYS+ 55 - HN SER 19 16.667% * 3.6756% (0.87 0.08 0.02) = 3.676% kept HA ARG+ 53 - HN SER 19 16.667% * 2.3990% (0.57 0.08 0.02) = 2.399% kept HA ILE 85 - HN SER 19 16.667% * 1.0153% (0.92 0.02 0.02) = 1.015% kept HA HIS 99 - HN SER 19 16.667% * 0.2449% (0.22 0.02 0.02) = 0.245% Peak 894 (4.54, 8.21, 116.42 ppm): 2 chemical-shift based assignments, quality = 0.456, support = 3.11, residual support = 10.6: HB2 SER 18 - HN SER 19 50.000% * 66.8889% (0.34 4.14 15.60) = 66.889% kept HA LEU 22 - HN SER 19 50.000% * 33.1111% (0.69 1.02 0.48) = 33.111% kept Peak 895 (4.15, 8.21, 116.42 ppm): 8 chemical-shift based assignments, quality = 0.774, support = 2.55, residual support = 5.18: O QB SER 19 - HN SER 19 12.500% * 63.2241% (0.95 10.0 2.43 5.70) = 63.224% kept O HA SER 19 - HN SER 19 12.500% * 25.0843% (0.38 10.0 3.08 5.70) = 25.084% kept HA GLU- 16 - HN SER 19 12.500% * 6.9619% (0.80 1.0 2.60 1.81) = 6.962% kept HA PRO 25 - HN SER 19 12.500% * 2.5880% (0.38 1.0 2.06 0.76) = 2.588% kept HA LEU 26 - HN SER 19 12.500% * 1.0517% (0.95 1.0 0.33 0.02) = 1.052% kept HB THR 39 - HN SER 19 12.500% * 1.0204% (0.65 1.0 0.47 0.02) = 1.020% kept HA ILE 95 - HN SER 19 12.500% * 0.0580% (0.87 1.0 0.02 0.02) = 0.058% HA GLU- 30 - HN SER 19 12.500% * 0.0117% (0.18 1.0 0.02 0.02) = 0.012% Peak 896 (3.99, 8.21, 116.42 ppm): 4 chemical-shift based assignments, quality = 0.927, support = 1.41, residual support = 1.52: HB2 SER 15 - HN SER 19 25.000% * 52.0084% (0.97 1.43 2.03) = 52.008% kept HA LYS+ 72 - HN SER 19 25.000% * 47.3866% (0.90 1.41 0.99) = 47.387% kept HA1 GLY 5 - HN SER 19 25.000% * 0.4562% (0.61 0.02 0.02) = 0.456% HA1 GLY 58 - HN SER 19 25.000% * 0.1488% (0.20 0.02 0.02) = 0.149% Peak 897 (3.50, 8.21, 116.42 ppm): 5 chemical-shift based assignments, quality = 0.451, support = 2.25, residual support = 1.57: HB3 SER 15 - HN SER 19 20.000% * 47.2857% (0.41 3.03 2.03) = 47.286% kept HA GLU- 23 - HN SER 19 20.000% * 37.6729% (0.61 1.64 1.26) = 37.673% kept QB SER 49 - HN SER 19 20.000% * 11.9389% (0.20 1.59 1.13) = 11.939% kept HD3 PRO 37 - HN SER 19 20.000% * 2.7625% (0.15 0.47 0.02) = 2.762% kept HA LEU 76 - HN SER 19 20.000% * 0.3401% (0.45 0.02 0.02) = 0.340% Peak 898 (3.14, 8.21, 116.42 ppm): 5 chemical-shift based assignments, quality = 0.901, support = 0.616, residual support = 0.372: HD2 ARG+ 48 - HN SER 19 20.000% * 53.1928% (0.90 0.72 0.55) = 53.193% kept HB2 PHE 13 - HN SER 19 20.000% * 42.5748% (0.95 0.54 0.18) = 42.575% kept HB3 TRP 67 - HN SER 19 20.000% * 1.9059% (0.25 0.09 0.21) = 1.906% kept HB3 TYR 86 - HN SER 19 20.000% * 1.3238% (0.80 0.02 0.02) = 1.324% kept QB HIS 99 - HN SER 19 20.000% * 1.0027% (0.61 0.02 0.02) = 1.003% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 899 (2.02, 8.21, 116.42 ppm): 8 chemical-shift based assignments, quality = 0.676, support = 1.42, residual support = 2.03: HG2 PRO 33 - HN SER 19 12.500% * 33.9715% (0.84 1.42 1.63) = 33.971% kept HB ILE 38 - HN SER 19 12.500% * 24.5615% (0.61 1.42 2.02) = 24.561% kept HB2 LYS+ 20 - HN SER 19 12.500% * 21.6356% (0.31 2.45 4.51) = 21.636% kept HB2 ARG+ 53 - HN SER 19 12.500% * 11.3509% (1.00 0.40 0.02) = 11.351% kept HG3 MET 54 - HN SER 19 12.500% * 5.0757% (0.92 0.19 0.02) = 5.076% kept HB VAL 52 - HN SER 19 12.500% * 1.8009% (0.69 0.09 0.02) = 1.801% kept QG PRO 12 - HN SER 19 12.500% * 1.1884% (0.31 0.13 0.02) = 1.188% kept HB3 MET 1 - HN SER 19 12.500% * 0.4156% (0.73 0.02 0.02) = 0.416% Peak 900 (1.75, 8.21, 116.42 ppm): 8 chemical-shift based assignments, quality = 0.791, support = 1.24, residual support = 1.45: HB ILE 14 - HN SER 19 12.500% * 32.0079% (1.00 1.42 2.15) = 32.008% kept HG12 ILE 38 - HN SER 19 12.500% * 25.2815% (0.65 1.73 2.02) = 25.282% kept HB2 ARG+ 48 - HN SER 19 12.500% * 18.8829% (0.76 1.09 0.55) = 18.883% kept HB3 PRO 25 - HN SER 19 12.500% * 11.2277% (1.00 0.50 0.76) = 11.228% kept HB2 LYS+ 55 - HN SER 19 12.500% * 6.3683% (0.57 0.50 0.02) = 6.368% kept HB2 GLU- 23 - HN SER 19 12.500% * 4.5490% (0.18 1.15 1.26) = 4.549% kept HB VAL 61 - HN SER 19 12.500% * 1.5432% (0.49 0.14 0.02) = 1.543% kept HB ILE 95 - HN SER 19 12.500% * 0.1395% (0.31 0.02 0.02) = 0.139% Peak 901 (1.45, 8.21, 116.42 ppm): 6 chemical-shift based assignments, quality = 0.654, support = 1.53, residual support = 1.14: HG3 LYS+ 72 - HN SER 19 16.667% * 43.4606% (0.84 1.42 0.99) = 43.461% kept HB3 GLU- 23 - HN SER 19 16.667% * 39.1424% (0.57 1.89 1.26) = 39.142% kept HG13 ILE 38 - HN SER 19 16.667% * 10.9090% (0.20 1.50 2.02) = 10.909% kept HB2 LEU 63 - HN SER 19 16.667% * 4.8339% (0.92 0.14 0.02) = 4.834% kept HB3 PHE 84 - HN SER 19 16.667% * 1.0185% (0.34 0.08 0.02) = 1.019% kept HB3 ASN 74 - HN SER 19 16.667% * 0.6356% (0.87 0.02 0.02) = 0.636% Peak 902 (0.74, 8.21, 116.42 ppm): 4 chemical-shift based assignments, quality = 0.4, support = 0.535, residual support = 0.428: QG2 VAL 71 - HN SER 19 25.000% * 78.7465% (0.28 0.67 0.54) = 78.746% kept QG1 VAL 61 - HN SER 19 25.000% * 8.1071% (0.97 0.02 0.02) = 8.107% kept QD1 LEU 43 - HN SER 19 25.000% * 6.7266% (0.80 0.02 0.02) = 6.727% kept QG1 ILE 96 - HN SER 19 25.000% * 6.4199% (0.76 0.02 0.02) = 6.420% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 903 (8.20, 8.35, 116.81 ppm): 5 chemical-shift based assignments, quality = 0.739, support = 3.28, residual support = 8.36: T HN SER 21 - HN LYS+ 20 20.000% * 85.3196% (0.76 10.00 3.36 9.26) = 85.320% kept HN SER 19 - HN LYS+ 20 20.000% * 10.0285% (0.49 1.00 3.69 4.51) = 10.029% kept HN ILE 38 - HN LYS+ 20 20.000% * 4.5404% (0.84 1.00 0.97 0.23) = 4.540% kept HN GLU- 6 - HN LYS+ 20 20.000% * 0.0894% (0.80 1.00 0.02 0.02) = 0.089% HN ILE 96 - HN LYS+ 20 20.000% * 0.0221% (0.20 1.00 0.02 0.02) = 0.022% Peak 905 (8.35, 8.35, 116.81 ppm): 1 diagonal assignment: * HN LYS+ 20 - HN LYS+ 20 (0.98) kept Peak 906 (5.97, 8.35, 116.81 ppm): 1 chemical-shift based assignment, quality = 0.526, support = 0.839, residual support = 1.26: HA SER 18 - HN LYS+ 20 100.000% *100.0000% (0.53 0.84 1.26) = 100.000% kept Peak 907 (6.37, 8.35, 116.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 908 (4.83, 8.35, 116.81 ppm): 2 chemical-shift based assignments, quality = 0.66, support = 0.896, residual support = 0.42: HA TRP 50 - HN LYS+ 20 50.000% * 54.6532% (0.90 0.62 0.39) = 54.653% kept HA TYR 81 - HN LYS+ 20 50.000% * 45.3468% (0.38 1.23 0.46) = 45.347% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 909 (4.55, 8.35, 116.81 ppm): 2 chemical-shift based assignments, quality = 0.304, support = 1.55, residual support = 0.982: HA LEU 22 - HN LYS+ 20 50.000% * 71.2163% (0.20 2.06 1.34) = 71.216% kept HA LYS+ 17 - HN LYS+ 20 50.000% * 28.7837% (0.57 0.29 0.10) = 28.784% kept Peak 910 (4.16, 8.35, 116.81 ppm): 7 chemical-shift based assignments, quality = 0.867, support = 2.4, residual support = 4.21: O HA SER 19 - HN LYS+ 20 14.286% * 85.9501% (0.90 10.0 2.44 4.51) = 85.950% kept HA PRO 25 - HN LYS+ 20 14.286% * 7.7182% (0.90 1.0 1.80 0.73) = 7.718% kept QB SER 19 - HN LYS+ 20 14.286% * 5.9636% (0.45 1.0 2.78 4.51) = 5.964% kept HA LEU 26 - HN LYS+ 20 14.286% * 0.2920% (0.45 1.0 0.14 0.02) = 0.292% HA ILE 95 - HN LYS+ 20 14.286% * 0.0327% (0.34 1.0 0.02 0.02) = 0.033% HA GLU- 16 - HN LYS+ 20 14.286% * 0.0266% (0.28 1.0 0.02 0.02) = 0.027% HB THR 39 - HN LYS+ 20 14.286% * 0.0168% (0.18 1.0 0.02 0.56) = 0.017% Peak 911 (3.88, 8.35, 116.81 ppm): 5 chemical-shift based assignments, quality = 0.574, support = 2.51, residual support = 7.53: HB2 SER 21 - HN LYS+ 20 20.000% * 81.2584% (0.57 2.99 9.26) = 81.258% kept QD PRO 12 - HN LYS+ 20 20.000% * 16.1077% (0.69 0.49 0.02) = 16.108% kept HA SER 15 - HN LYS+ 20 20.000% * 1.1680% (0.28 0.09 0.02) = 1.168% kept HA MET 101 - HN LYS+ 20 20.000% * 0.7329% (0.76 0.02 0.02) = 0.733% HA VAL 65 - HN LYS+ 20 20.000% * 0.7329% (0.76 0.02 0.15) = 0.733% Peak 912 (1.47, 8.35, 116.81 ppm): 8 chemical-shift based assignments, quality = 0.852, support = 1.2, residual support = 0.827: HB3 GLU- 23 - HN LYS+ 20 12.500% * 43.8025% (0.99 1.68 1.05) = 43.802% kept HG3 LYS+ 72 - HN LYS+ 20 12.500% * 25.4681% (0.95 1.02 1.04) = 25.468% kept HB3 PHE 84 - HN LYS+ 20 12.500% * 12.8107% (0.87 0.56 0.02) = 12.811% kept HB2 LEU 63 - HN LYS+ 20 12.500% * 9.2685% (0.41 0.86 1.02) = 9.269% kept HG2 ARG+ 48 - HN LYS+ 20 12.500% * 4.2138% (0.49 0.33 0.02) = 4.214% kept HG3 LYS+ 17 - HN LYS+ 20 12.500% * 4.1395% (0.18 0.90 0.10) = 4.140% kept HB3 ASN 74 - HN LYS+ 20 12.500% * 0.1796% (0.34 0.02 0.02) = 0.180% HG12 ILE 95 - HN LYS+ 20 12.500% * 0.1172% (0.22 0.02 0.02) = 0.117% Peak 913 (1.75, 8.35, 116.81 ppm): 8 chemical-shift based assignments, quality = 0.828, support = 0.781, residual support = 0.404: HB3 PRO 25 - HN LYS+ 20 12.500% * 38.2915% (1.00 1.01 0.73) = 38.292% kept HB ILE 14 - HN LYS+ 20 12.500% * 19.7048% (1.00 0.52 0.02) = 19.705% kept HG12 ILE 38 - HN LYS+ 20 12.500% * 19.1296% (0.65 0.78 0.23) = 19.130% kept HB2 ARG+ 48 - HN LYS+ 20 12.500% * 13.4282% (0.76 0.46 0.02) = 13.428% kept HB2 GLU- 23 - HN LYS+ 20 12.500% * 7.1379% (0.18 1.08 1.05) = 7.138% kept HB2 LYS+ 55 - HN LYS+ 20 12.500% * 1.7067% (0.57 0.08 0.02) = 1.707% kept HB VAL 61 - HN LYS+ 20 12.500% * 0.3679% (0.49 0.02 0.02) = 0.368% HB ILE 95 - HN LYS+ 20 12.500% * 0.2333% (0.31 0.02 0.02) = 0.233% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 914 (1.95, 8.35, 116.81 ppm): 9 chemical-shift based assignments, quality = 0.629, support = 0.828, residual support = 0.21: HB3 GLN 83 - HN LYS+ 20 11.111% * 49.9153% (0.61 1.25 0.36) = 49.915% kept HB3 GLU- 77 - HN LYS+ 20 11.111% * 22.0736% (0.99 0.34 0.02) = 22.074% kept HB VAL 65 - HN LYS+ 20 11.111% * 13.6515% (0.25 0.83 0.15) = 13.652% kept HB3 ARG+ 53 - HN LYS+ 20 11.111% * 4.5464% (0.87 0.08 0.02) = 4.546% kept QG PRO 37 - HN LYS+ 20 11.111% * 3.5327% (0.57 0.09 0.02) = 3.533% kept HB3 GLU- 16 - HN LYS+ 20 11.111% * 2.5669% (0.28 0.14 0.02) = 2.567% kept HB2 LYS+ 60 - HN LYS+ 20 11.111% * 2.5640% (0.28 0.14 0.02) = 2.564% kept HB3 TYR 31 - HN LYS+ 20 11.111% * 0.7440% (0.57 0.02 0.02) = 0.744% QB GLU- 6 - HN LYS+ 20 11.111% * 0.4056% (0.31 0.02 0.02) = 0.406% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 915 (11.60, 7.26, 130.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 916 (10.45, 8.18, 114.64 ppm): 1 chemical-shift based assignment, quality = 0.991, support = 2.36, residual support = 6.76: T HE1 TRP 67 - HN SER 21 100.000% *100.0000% (0.99 10.00 2.36 6.76) = 100.000% kept Peak 917 (8.35, 8.18, 114.64 ppm): 3 chemical-shift based assignments, quality = 0.986, support = 3.25, residual support = 8.82: T HN LYS+ 20 - HN SER 21 33.333% * 94.9689% (0.99 10.00 3.36 9.26) = 94.969% kept HN ILE 24 - HN SER 21 33.333% * 4.9615% (0.90 1.00 1.15 0.43) = 4.962% kept HN GLY 5 - HN SER 21 33.333% * 0.0696% (0.73 1.00 0.02 0.02) = 0.070% Peak 918 (6.38, 8.18, 114.64 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 919 (5.96, 8.18, 114.64 ppm): 1 chemical-shift based assignment, quality = 0.175, support = 1.8, residual support = 1.8: HA SER 18 - HN SER 21 100.000% *100.0000% (0.18 1.80 1.80) = 100.000% kept Not enough quality. Peak unassigned. Peak 920 (4.93, 8.18, 114.64 ppm): 2 chemical-shift based assignments, quality = 0.645, support = 0.321, residual support = 0.435: HA ASP- 89 - HN SER 21 50.000% * 66.7718% (0.87 0.23 0.44) = 66.772% kept HA PHE 84 - HN SER 21 50.000% * 33.2282% (0.20 0.50 0.43) = 33.228% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 921 (4.81, 8.18, 114.64 ppm): 3 chemical-shift based assignments, quality = 0.781, support = 2.0, residual support = 1.95: HA TYR 81 - HN SER 21 33.333% * 50.3585% (1.00 1.88 2.15) = 50.359% kept HA TRP 50 - HN SER 21 33.333% * 36.7756% (0.69 2.00 1.38) = 36.776% kept HA THR 64 - HN SER 21 33.333% * 12.8659% (0.20 2.43 2.81) = 12.866% kept Peak 922 (4.53, 8.18, 114.64 ppm): 3 chemical-shift based assignments, quality = 0.939, support = 3.22, residual support = 7.96: HA LEU 22 - HN SER 21 33.333% * 90.8802% (0.97 3.50 8.58) = 90.880% kept HB2 SER 18 - HN SER 21 33.333% * 9.0469% (0.69 0.49 1.80) = 9.047% kept HA MET 1 - HN SER 21 33.333% * 0.0729% (0.14 0.02 0.02) = 0.073% Peak 923 (4.16, 8.18, 114.64 ppm): 7 chemical-shift based assignments, quality = 0.732, support = 1.23, residual support = 0.723: HA SER 19 - HN SER 21 14.286% * 39.3601% (0.84 1.51 0.71) = 39.360% kept HA PRO 25 - HN SER 21 14.286% * 34.1757% (0.84 1.31 0.89) = 34.176% kept QB SER 19 - HN SER 21 14.286% * 14.0852% (0.53 0.86 0.71) = 14.085% kept HB THR 39 - HN SER 21 14.286% * 6.0740% (0.22 0.87 0.61) = 6.074% kept HA LEU 26 - HN SER 21 14.286% * 4.2190% (0.53 0.26 0.02) = 4.219% kept HA ILE 95 - HN SER 21 14.286% * 1.8730% (0.41 0.15 0.02) = 1.873% kept HA GLU- 16 - HN SER 21 14.286% * 0.2129% (0.34 0.02 0.02) = 0.213% Peak 924 (3.85, 8.18, 114.64 ppm): 5 chemical-shift based assignments, quality = 0.394, support = 2.49, residual support = 11.1: O HB3 SER 21 - HN SER 21 20.000% * 79.6090% (0.25 10.0 2.89 13.50) = 79.609% kept HA GLU- 68 - HN SER 21 20.000% * 17.2032% (1.00 1.0 1.08 2.14) = 17.203% kept HA SER 15 - HN SER 21 20.000% * 2.7625% (0.84 1.0 0.21 0.02) = 2.763% kept HA2 GLY 27 - HN SER 21 20.000% * 0.3164% (0.99 1.0 0.02 0.02) = 0.316% HA MET 101 - HN SER 21 20.000% * 0.1089% (0.34 1.0 0.02 0.02) = 0.109% Peak 925 (3.14, 8.18, 114.64 ppm): 5 chemical-shift based assignments, quality = 0.723, support = 0.834, residual support = 3.17: HD2 ARG+ 48 - HN SER 21 20.000% * 51.2804% (0.76 1.06 4.19) = 51.280% kept HB2 PHE 13 - HN SER 21 20.000% * 33.3129% (0.84 0.63 0.21) = 33.313% kept HB3 TRP 67 - HN SER 21 20.000% * 14.0163% (0.38 0.59 6.76) = 14.016% kept HB3 TYR 86 - HN SER 21 20.000% * 0.8213% (0.65 0.02 0.02) = 0.821% QB HIS 99 - HN SER 21 20.000% * 0.5692% (0.45 0.02 0.02) = 0.569% Peak 926 (1.97, 8.18, 114.64 ppm): 4 chemical-shift based assignments, quality = 0.847, support = 1.16, residual support = 0.751: HB3 GLN 83 - HN SER 21 25.000% * 51.9891% (1.00 1.46 1.00) = 51.989% kept HB VAL 65 - HN SER 21 25.000% * 28.5867% (0.76 1.05 0.79) = 28.587% kept HB3 GLU- 77 - HN SER 21 25.000% * 11.2654% (0.73 0.43 0.02) = 11.265% kept HB3 ARG+ 53 - HN SER 21 25.000% * 8.1588% (0.34 0.67 0.02) = 8.159% kept Peak 927 (1.75, 8.18, 114.64 ppm): 8 chemical-shift based assignments, quality = 0.787, support = 1.8, residual support = 1.91: HB3 PRO 25 - HN SER 21 12.500% * 27.5613% (1.00 1.79 0.89) = 27.561% kept HG12 ILE 38 - HN SER 21 12.500% * 25.3609% (0.61 2.71 3.00) = 25.361% kept HB2 ARG+ 48 - HN SER 21 12.500% * 20.6914% (0.73 1.85 4.19) = 20.691% kept HB ILE 14 - HN SER 21 12.500% * 16.8486% (1.00 1.09 0.20) = 16.849% kept HB VAL 61 - HN SER 21 12.500% * 4.5252% (0.53 0.56 0.02) = 4.525% kept HB2 GLU- 23 - HN SER 21 12.500% * 2.3868% (0.15 1.00 0.30) = 2.387% kept HB2 LYS+ 55 - HN SER 21 12.500% * 1.8987% (0.61 0.20 0.02) = 1.899% kept HB ILE 95 - HN SER 21 12.500% * 0.7271% (0.34 0.14 0.02) = 0.727% Peak 928 (1.45, 8.18, 114.64 ppm): 6 chemical-shift based assignments, quality = 0.68, support = 1.52, residual support = 1.12: HB2 LEU 63 - HN SER 21 16.667% * 36.0285% (0.97 1.61 1.66) = 36.029% kept HB3 GLU- 23 - HN SER 21 16.667% * 19.6517% (0.49 1.74 0.30) = 19.652% kept HG3 LYS+ 72 - HN SER 21 16.667% * 16.3571% (0.76 0.92 0.15) = 16.357% kept HG13 ILE 38 - HN SER 21 16.667% * 13.4491% (0.25 2.33 3.00) = 13.449% kept HB3 PHE 84 - HN SER 21 16.667% * 8.5949% (0.28 1.34 0.43) = 8.595% kept HB3 ASN 74 - HN SER 21 16.667% * 5.9188% (0.92 0.28 0.02) = 5.919% kept Peak 929 (0.96, 8.18, 114.64 ppm): 7 chemical-shift based assignments, quality = 0.825, support = 1.62, residual support = 2.01: HB3 ARG+ 48 - HN SER 21 14.286% * 36.0147% (0.76 2.55 4.19) = 36.015% kept QD2 LEU 82 - HN SER 21 14.286% * 28.1151% (0.97 1.57 0.87) = 28.115% kept QG2 VAL 52 - HN SER 21 14.286% * 12.2634% (0.84 0.79 0.41) = 12.263% kept QG2 ILE 14 - HN SER 21 14.286% * 8.4659% (1.00 0.46 0.20) = 8.466% kept QG2 THR 64 - HN SER 21 14.286% * 6.8226% (0.25 1.48 2.81) = 6.823% kept HG3 LYS+ 56 - HN SER 21 14.286% * 6.5531% (1.00 0.35 0.02) = 6.553% kept QG2 ILE 85 - HN SER 21 14.286% * 1.7653% (0.49 0.20 0.02) = 1.765% kept Peak 930 (0.34, 8.18, 114.64 ppm): 4 chemical-shift based assignments, quality = 0.868, support = 1.2, residual support = 1.17: QD1 LEU 63 - HN SER 21 25.000% * 45.8511% (0.84 1.54 1.66) = 45.851% kept QG1 VAL 71 - HN SER 21 25.000% * 33.2629% (0.84 1.12 0.94) = 33.263% kept QD1 ILE 24 - HN SER 21 25.000% * 20.7453% (1.00 0.58 0.43) = 20.745% kept QG1 VAL 7 - HN SER 21 25.000% * 0.1407% (0.20 0.02 0.02) = 0.141% Peak 931 (8.44, 8.08, 120.39 ppm): 4 chemical-shift based assignments, quality = 0.198, support = 4.38, residual support = 27.2: T HN GLU- 23 - HN LEU 22 25.000% * 53.9858% (0.20 10.00 5.78 46.99) = 53.986% kept T HN THR 91 - HN LEU 22 25.000% * 42.0910% (0.15 10.00 2.95 4.32) = 42.091% kept HN GLY 47 - HN LEU 22 25.000% * 3.6866% (0.72 1.00 0.37 0.02) = 3.687% kept HN PHE 36 - HN LEU 22 25.000% * 0.2366% (0.87 1.00 0.02 0.02) = 0.237% Peak 932 (8.89, 8.08, 120.39 ppm): 4 chemical-shift based assignments, quality = 0.864, support = 6.01, residual support = 43.0: T HN LEU 63 - HN LEU 22 25.000% * 93.3393% (0.89 10.00 6.31 46.03) = 93.339% kept HN PHE 62 - HN LEU 22 25.000% * 4.6213% (0.41 1.00 2.16 1.05) = 4.621% kept HN GLU- 16 - HN LEU 22 25.000% * 2.0105% (0.49 1.00 0.79 1.20) = 2.010% kept HN GLY 79 - HN LEU 22 25.000% * 0.0289% (0.28 1.00 0.02 0.02) = 0.029% Peak 933 (6.91, 8.08, 120.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 934 (6.36, 8.08, 120.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 935 (5.27, 8.08, 120.39 ppm): 5 chemical-shift based assignments, quality = 0.778, support = 1.78, residual support = 1.22: HA PHE 62 - HN LEU 22 20.000% * 61.4883% (0.89 2.10 1.05) = 61.488% kept HA ARG+ 90 - HN LEU 22 20.000% * 29.6668% (0.56 1.61 1.75) = 29.667% kept HA TYR 93 - HN LEU 22 20.000% * 3.5075% (0.49 0.22 0.23) = 3.508% kept HA THR 39 - HN LEU 22 20.000% * 3.3378% (0.94 0.11 0.02) = 3.338% kept HA VAL 52 - HN LEU 22 20.000% * 1.9996% (0.56 0.11 2.49) = 2.000% kept Peak 936 (4.93, 8.08, 120.39 ppm): 2 chemical-shift based assignments, quality = 0.842, support = 1.8, residual support = 3.11: HA ASP- 89 - HN LEU 22 50.000% * 96.4098% (0.87 1.86 3.22) = 96.410% kept HA PHE 84 - HN LEU 22 50.000% * 3.5902% (0.20 0.30 0.02) = 3.590% kept Peak 937 (4.76, 8.08, 120.39 ppm): 4 chemical-shift based assignments, quality = 0.633, support = 3.89, residual support = 4.5: HA THR 64 - HN LEU 22 25.000% * 50.9117% (0.49 5.43 5.48) = 50.912% kept HA LYS+ 55 - HN LEU 22 25.000% * 40.7900% (0.80 2.65 4.04) = 40.790% kept HA ILE 85 - HN LEU 22 25.000% * 8.2461% (0.72 0.59 0.81) = 8.246% kept HA ALA 34 - HN LEU 22 25.000% * 0.0521% (0.14 0.02 0.02) = 0.052% Peak 938 (4.50, 8.08, 120.39 ppm): 9 chemical-shift based assignments, quality = 0.278, support = 5.13, residual support = 152.0: O HA LEU 22 - HN LEU 22 11.111% * 88.1845% (0.25 10.0 5.77 172.34) = 88.184% kept HB2 SER 18 - HN LEU 22 11.111% * 3.9606% (0.56 1.0 0.40 0.24) = 3.961% kept HA ASN 74 - HN LEU 22 11.111% * 3.9112% (0.56 1.0 0.39 0.81) = 3.911% kept HA ASN 69 - HN LEU 22 11.111% * 2.7183% (0.52 1.0 0.29 0.02) = 2.718% kept HA MET 1 - HN LEU 22 11.111% * 0.3529% (1.00 1.0 0.02 0.02) = 0.353% HA VAL 7 - HN LEU 22 11.111% * 0.3413% (0.96 1.0 0.02 0.02) = 0.341% HA LYS+ 60 - HN LEU 22 11.111% * 0.2832% (0.80 1.0 0.02 0.02) = 0.283% HA ASN 100 - HN LEU 22 11.111% * 0.1861% (0.52 1.0 0.02 0.02) = 0.186% HA VAL 61 - HN LEU 22 11.111% * 0.0619% (0.17 1.0 0.02 0.02) = 0.062% Peak 939 (3.85, 8.08, 120.39 ppm): 5 chemical-shift based assignments, quality = 0.568, support = 2.38, residual support = 5.07: HB3 SER 21 - HN LEU 22 20.000% * 55.4803% (0.25 3.75 8.58) = 55.480% kept HA GLU- 68 - HN LEU 22 20.000% * 41.9496% (1.00 0.71 0.75) = 41.950% kept HA2 GLY 27 - HN LEU 22 20.000% * 1.1752% (0.99 0.02 0.02) = 1.175% kept HA SER 15 - HN LEU 22 20.000% * 0.9904% (0.83 0.02 0.02) = 0.990% HA MET 101 - HN LEU 22 20.000% * 0.4045% (0.34 0.02 0.02) = 0.404% Peak 940 (3.48, 8.08, 120.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 941 (3.12, 8.08, 120.39 ppm): 5 chemical-shift based assignments, quality = 0.671, support = 0.501, residual support = 4.03: HB3 TRP 67 - HN LEU 22 20.000% * 63.8823% (0.92 0.49 6.03) = 63.882% kept HD2 ARG+ 48 - HN LEU 22 20.000% * 21.6761% (0.22 0.69 0.81) = 21.676% kept HB2 PHE 13 - HN LEU 22 20.000% * 11.2509% (0.28 0.29 0.02) = 11.251% kept HB3 TYR 86 - HN LEU 22 20.000% * 2.3253% (0.15 0.11 0.02) = 2.325% kept HB2 PHE 9 - HN LEU 22 20.000% * 0.8654% (0.31 0.02 0.02) = 0.865% Peak 942 (2.99, 8.08, 120.39 ppm): 9 chemical-shift based assignments, quality = 0.653, support = 1.79, residual support = 2.77: QE LYS+ 11 - HN LEU 22 11.111% * 31.3936% (0.87 1.91 4.41) = 31.394% kept QE LYS+ 72 - HN LEU 22 11.111% * 31.1765% (0.83 1.97 2.01) = 31.177% kept HD3 ARG+ 88 - HN LEU 22 11.111% * 11.7327% (0.49 1.27 0.32) = 11.733% kept QE LYS+ 55 - HN LEU 22 11.111% * 9.0105% (0.25 1.91 4.04) = 9.010% kept HB2 ASP- 89 - HN LEU 22 11.111% * 8.4829% (0.17 2.56 3.22) = 8.483% kept HD3 ARG+ 48 - HN LEU 22 11.111% * 4.0785% (0.41 0.52 0.81) = 4.078% kept QE LYS+ 20 - HN LEU 22 11.111% * 3.5669% (0.31 0.61 1.34) = 3.567% kept HB2 TYR 97 - HN LEU 22 11.111% * 0.4739% (0.22 0.11 0.02) = 0.474% HE3 LYS+ 60 - HN LEU 22 11.111% * 0.0844% (0.22 0.02 0.02) = 0.084% Peak 943 (2.38, 8.08, 120.39 ppm): 4 chemical-shift based assignments, quality = 0.912, support = 1.28, residual support = 3.03: HG3 GLU- 68 - HN LEU 22 25.000% * 37.1970% (1.00 1.30 0.75) = 37.197% kept HE3 LYS+ 56 - HN LEU 22 25.000% * 32.6396% (1.00 1.14 5.47) = 32.640% kept HB3 ASP- 89 - HN LEU 22 25.000% * 29.9273% (0.72 1.44 3.22) = 29.927% kept HB2 GLN 8 - HN LEU 22 25.000% * 0.2361% (0.41 0.02 0.02) = 0.236% Peak 944 (1.64, 8.08, 120.39 ppm): 8 chemical-shift based assignments, quality = 0.592, support = 2.05, residual support = 3.86: HB2 LYS+ 56 - HN LEU 22 12.500% * 52.7942% (0.80 2.70 5.47) = 52.794% kept HG LEU 43 - HN LEU 22 12.500% * 14.7535% (0.34 1.77 1.53) = 14.753% kept QD LYS+ 11 - HN LEU 22 12.500% * 12.8794% (0.34 1.54 4.41) = 12.879% kept QB PRO 12 - HN LEU 22 12.500% * 12.4040% (0.49 1.04 0.46) = 12.404% kept HB2 LEU 43 - HN LEU 22 12.500% * 3.4605% (0.20 0.72 1.53) = 3.461% kept HB VAL 94 - HN LEU 22 12.500% * 1.9823% (0.25 0.33 1.81) = 1.982% kept HB ILE 96 - HN LEU 22 12.500% * 1.6404% (0.22 0.30 1.73) = 1.640% kept QD LYS+ 17 - HN LEU 22 12.500% * 0.0856% (0.17 0.02 0.43) = 0.086% Peak 945 (1.42, 8.08, 120.39 ppm): 5 chemical-shift based assignments, quality = 0.394, support = 3.86, residual support = 32.2: HB2 LEU 63 - HN LEU 22 20.000% * 69.6859% (0.25 5.35 46.03) = 69.686% kept HG13 ILE 38 - HN LEU 22 20.000% * 19.8819% (0.96 0.39 0.02) = 19.882% kept HB3 ASN 74 - HN LEU 22 20.000% * 9.5659% (0.31 0.59 0.81) = 9.566% kept HB3 LYS+ 60 - HN LEU 22 20.000% * 0.6336% (0.61 0.02 0.02) = 0.634% QB ALA 2 - HN LEU 22 20.000% * 0.2326% (0.22 0.02 0.02) = 0.233% Peak 946 (1.27, 8.08, 120.39 ppm): 5 chemical-shift based assignments, quality = 0.674, support = 3.56, residual support = 22.7: QD1 LEU 82 - HN LEU 22 20.000% * 37.2635% (0.87 3.37 16.86) = 37.264% kept HB3 LEU 63 - HN LEU 22 20.000% * 30.4409% (0.56 4.22 46.03) = 30.441% kept HD2 LYS+ 56 - HN LEU 22 20.000% * 26.4310% (0.65 3.21 5.47) = 26.431% kept HB3 LEU 82 - HN LEU 22 20.000% * 5.8200% (0.15 2.96 16.86) = 5.820% kept QG2 THR 51 - HN LEU 22 20.000% * 0.0446% (0.17 0.02 0.02) = 0.045% Peak 947 (0.98, 8.08, 120.39 ppm): 10 chemical-shift based assignments, quality = 0.598, support = 2.15, residual support = 5.4: QG2 THR 64 - HN LEU 22 10.000% * 31.9713% (0.80 2.89 5.48) = 31.971% kept HG3 LYS+ 56 - HN LEU 22 10.000% * 19.6661% (0.61 2.35 5.47) = 19.666% kept QD2 LEU 82 - HN LEU 22 10.000% * 13.6481% (0.45 2.20 16.86) = 13.648% kept QG1 VAL 40 - HN LEU 22 10.000% * 8.5750% (0.52 1.18 0.02) = 8.575% kept HB3 ARG+ 48 - HN LEU 22 10.000% * 7.6487% (0.22 2.49 0.81) = 7.649% kept QG2 VAL 52 - HN LEU 22 10.000% * 6.3377% (0.28 1.65 2.49) = 6.338% kept QG2 ILE 85 - HN LEU 22 10.000% * 5.4754% (0.98 0.40 0.81) = 5.475% kept QD1 ILE 38 - HN LEU 22 10.000% * 4.3254% (0.34 0.92 0.02) = 4.325% kept QG2 ILE 14 - HN LEU 22 10.000% * 2.2071% (0.65 0.25 0.02) = 2.207% kept HG LEU 76 - HN LEU 22 10.000% * 0.1453% (0.52 0.02 0.02) = 0.145% Peak 948 (0.77, 8.08, 120.39 ppm): 3 chemical-shift based assignments, quality = 0.776, support = 0.498, residual support = 0.916: QG2 VAL 71 - HN LEU 22 33.333% * 69.4384% (0.94 0.55 0.63) = 69.438% kept QD1 LEU 43 - HN LEU 22 33.333% * 24.2322% (0.45 0.41 1.53) = 24.232% kept QG2 ILE 96 - HN LEU 22 33.333% * 6.3295% (0.20 0.24 1.73) = 6.329% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 949 (0.59, 8.08, 120.39 ppm): 3 chemical-shift based assignments, quality = 0.453, support = 5.24, residual support = 124.5: QD2 LEU 22 - HN LEU 22 33.333% * 63.0594% (0.52 5.69 172.34) = 63.059% kept QD2 LEU 63 - HN LEU 22 33.333% * 34.2900% (0.34 4.77 46.03) = 34.290% kept QG2 ILE 24 - HN LEU 22 33.333% * 2.6506% (0.20 0.64 3.21) = 2.651% kept Peak 950 (0.27, 8.08, 120.39 ppm): 2 chemical-shift based assignments, quality = 0.685, support = 5.08, residual support = 156.1: QD1 LEU 22 - HN LEU 22 50.000% * 90.4964% (0.69 5.55 172.34) = 90.496% kept QG2 VAL 94 - HN LEU 22 50.000% * 9.5036% (0.69 0.58 1.81) = 9.504% kept Peak 951 (-0.49, 8.08, 120.39 ppm): 1 chemical-shift based assignment, quality = 0.447, support = 5.7, residual support = 172.3: O HB3 LEU 22 - HN LEU 22 100.000% *100.0000% (0.45 10.0 5.70 172.34) = 100.000% kept Peak 952 (8.08, 8.46, 128.62 ppm): 4 chemical-shift based assignments, quality = 0.988, support = 4.04, residual support = 29.6: T HN LEU 22 - HN GLU- 23 25.000% * 62.2804% (1.00 10.00 5.78 46.99) = 62.280% kept T HN ASP- 89 - HN GLU- 23 25.000% * 36.9902% (0.99 10.00 1.20 0.93) = 36.990% kept HN MET 54 - HN GLU- 23 25.000% * 0.6678% (0.65 1.00 0.33 0.02) = 0.668% HN ARG+ 48 - HN GLU- 23 25.000% * 0.0616% (0.99 1.00 0.02 0.02) = 0.062% Peak 953 (7.22, 8.46, 128.62 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 954 (6.90, 8.46, 128.62 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 955 (5.98, 8.46, 128.62 ppm): 1 chemical-shift based assignment, quality = 0.687, support = 0.156, residual support = 0.992: HA SER 18 - HN GLU- 23 100.000% *100.0000% (0.69 0.16 0.99) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 956 (4.51, 8.46, 128.62 ppm): 5 chemical-shift based assignments, quality = 0.816, support = 5.72, residual support = 43.1: O HA LEU 22 - HN GLU- 23 20.000% * 91.6198% (0.80 10.0 6.11 46.99) = 91.620% kept HB2 SER 18 - HN GLU- 23 20.000% * 8.2356% (1.00 1.0 1.44 0.99) = 8.236% kept HA MET 1 - HN GLU- 23 20.000% * 0.0648% (0.57 1.0 0.02 0.02) = 0.065% HA VAL 7 - HN GLU- 23 20.000% * 0.0513% (0.45 1.0 0.02 0.02) = 0.051% HA LYS+ 60 - HN GLU- 23 20.000% * 0.0285% (0.25 1.0 0.02 0.02) = 0.029% Peak 957 (3.51, 8.46, 128.62 ppm): 5 chemical-shift based assignments, quality = 0.715, support = 5.8, residual support = 60.4: O HA GLU- 23 - HN GLU- 23 20.000% * 97.9346% (0.73 10.0 5.90 61.70) = 97.935% kept HD3 PRO 37 - HN GLU- 23 20.000% * 1.8806% (0.22 1.0 1.25 0.43) = 1.881% kept HA LEU 76 - HN GLU- 23 20.000% * 0.0764% (0.57 1.0 0.02 0.96) = 0.076% HB3 SER 15 - HN GLU- 23 20.000% * 0.0710% (0.53 1.0 0.02 0.02) = 0.071% QB SER 49 - HN GLU- 23 20.000% * 0.0375% (0.28 1.0 0.02 1.90) = 0.037% Peak 958 (2.97, 8.46, 128.62 ppm): 9 chemical-shift based assignments, quality = 0.635, support = 1.12, residual support = 0.624: QE LYS+ 11 - HN GLU- 23 11.111% * 20.0935% (0.31 2.32 1.21) = 20.093% kept QE LYS+ 55 - HN GLU- 23 11.111% * 18.4294% (0.80 0.82 0.42) = 18.429% kept HD3 ARG+ 88 - HN GLU- 23 11.111% * 16.3648% (0.98 0.59 0.12) = 16.365% kept HB2 ASP- 89 - HN GLU- 23 11.111% * 14.4797% (0.69 0.75 0.93) = 14.480% kept QE LYS+ 72 - HN GLU- 23 11.111% * 13.9191% (0.28 1.78 1.03) = 13.919% kept HE3 LYS+ 60 - HN GLU- 23 11.111% * 7.8747% (0.76 0.37 0.02) = 7.875% kept HD3 ARG+ 48 - HN GLU- 23 11.111% * 5.1006% (0.95 0.19 0.02) = 5.101% kept QE LYS+ 17 - HN GLU- 23 11.111% * 3.5071% (0.53 0.24 0.13) = 3.507% kept HB3 PHE 9 - HN GLU- 23 11.111% * 0.2311% (0.41 0.02 0.02) = 0.231% Peak 960 (1.69, 8.46, 128.62 ppm): 10 chemical-shift based assignments, quality = 0.567, support = 0.827, residual support = 0.512: HB3 LYS+ 55 - HN GLU- 23 10.000% * 27.7009% (0.76 0.66 0.42) = 27.701% kept QD LYS+ 11 - HN GLU- 23 10.000% * 23.7118% (0.31 1.41 1.21) = 23.712% kept HD3 LYS+ 55 - HN GLU- 23 10.000% * 23.3520% (0.84 0.51 0.42) = 23.352% kept QB PRO 12 - HN GLU- 23 10.000% * 13.5787% (0.20 1.26 0.02) = 13.579% kept QD LYS+ 17 - HN GLU- 23 10.000% * 6.8039% (0.53 0.24 0.13) = 6.804% kept QD LYS+ 60 - HN GLU- 23 10.000% * 2.3736% (0.57 0.08 0.02) = 2.374% kept HG2 PRO 25 - HN GLU- 23 10.000% * 1.0809% (0.99 0.02 0.02) = 1.081% kept HG LEU 26 - HN GLU- 23 10.000% * 0.5308% (0.49 0.02 0.02) = 0.531% HB2 LEU 43 - HN GLU- 23 10.000% * 0.5308% (0.49 0.02 0.02) = 0.531% QB GLU- 30 - HN GLU- 23 10.000% * 0.3366% (0.31 0.02 0.02) = 0.337% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 961 (1.47, 8.46, 128.62 ppm): 8 chemical-shift based assignments, quality = 0.947, support = 3.79, residual support = 56.7: O HB3 GLU- 23 - HN GLU- 23 12.500% * 91.5646% (0.98 10.0 4.01 61.70) = 91.565% kept HB2 LEU 63 - HN GLU- 23 12.500% * 4.2313% (0.45 1.0 2.02 4.86) = 4.231% kept HG3 LYS+ 72 - HN GLU- 23 12.500% * 2.9679% (0.97 1.0 0.66 1.03) = 2.968% kept HG12 ILE 95 - HN GLU- 23 12.500% * 1.0668% (0.20 1.0 1.15 0.02) = 1.067% kept HB3 PHE 84 - HN GLU- 23 12.500% * 0.0780% (0.84 1.0 0.02 0.02) = 0.078% HG2 ARG+ 48 - HN GLU- 23 12.500% * 0.0419% (0.45 1.0 0.02 0.02) = 0.042% HB3 ASN 74 - HN GLU- 23 12.500% * 0.0351% (0.38 1.0 0.02 0.02) = 0.035% HG3 LYS+ 17 - HN GLU- 23 12.500% * 0.0144% (0.15 1.0 0.02 0.13) = 0.014% Peak 962 (1.24, 8.46, 128.62 ppm): 4 chemical-shift based assignments, quality = 0.948, support = 0.789, residual support = 0.506: HB3 LEU 82 - HN GLU- 23 25.000% * 76.2093% (1.00 0.94 0.66) = 76.209% kept HB3 LYS+ 56 - HN GLU- 23 25.000% * 22.4954% (0.84 0.33 0.02) = 22.495% kept QG1 VAL 65 - HN GLU- 23 25.000% * 0.7926% (0.49 0.02 0.02) = 0.793% HB3 LEU 42 - HN GLU- 23 25.000% * 0.5026% (0.31 0.02 0.02) = 0.503% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 963 (0.78, 8.46, 128.62 ppm): 5 chemical-shift based assignments, quality = 0.475, support = 4.19, residual support = 29.3: HG LEU 22 - HN GLU- 23 20.000% * 61.9281% (0.45 6.11 46.99) = 61.928% kept QG2 VAL 71 - HN GLU- 23 20.000% * 15.3248% (0.41 1.65 0.72) = 15.325% kept QG2 VAL 61 - HN GLU- 23 20.000% * 10.6870% (0.53 0.90 0.21) = 10.687% kept QG2 ILE 96 - HN GLU- 23 20.000% * 8.0370% (0.73 0.49 0.10) = 8.037% kept HB2 LEU 76 - HN GLU- 23 20.000% * 4.0231% (0.49 0.37 0.96) = 4.023% kept Peak 964 (0.56, 8.46, 128.62 ppm): 3 chemical-shift based assignments, quality = 0.711, support = 5.85, residual support = 39.6: QD2 LEU 22 - HN GLU- 23 33.333% * 82.5875% (0.69 6.86 46.99) = 82.588% kept QD2 LEU 63 - HN GLU- 23 33.333% * 16.5821% (0.87 1.09 4.86) = 16.582% kept QG2 ILE 95 - HN GLU- 23 33.333% * 0.8304% (0.28 0.17 0.02) = 0.830% Peak 965 (0.24, 8.46, 128.62 ppm): 2 chemical-shift based assignments, quality = 0.564, support = 6.31, residual support = 46.8: QD1 LEU 22 - HN GLU- 23 50.000% * 99.6849% (0.57 6.33 46.99) = 99.685% kept QG2 VAL 94 - HN GLU- 23 50.000% * 0.3151% (0.57 0.02 0.02) = 0.315% Peak 966 (-0.49, 8.46, 128.62 ppm): 1 chemical-shift based assignment, quality = 0.448, support = 6.32, residual support = 47.0: HB3 LEU 22 - HN GLU- 23 100.000% *100.0000% (0.45 6.32 46.99) = 100.000% kept Peak 967 (8.88, 8.34, 131.93 ppm): 3 chemical-shift based assignments, quality = 0.699, support = 2.82, residual support = 5.13: HN PHE 62 - HN ILE 24 33.333% * 48.2091% (0.95 2.06 3.16) = 48.209% kept HN LEU 63 - HN ILE 24 33.333% * 38.3789% (0.34 4.54 9.34) = 38.379% kept HN GLY 79 - HN ILE 24 33.333% * 13.4120% (0.84 0.65 0.14) = 13.412% kept Peak 968 (6.88, 8.34, 131.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 969 (5.25, 8.34, 131.93 ppm): 3 chemical-shift based assignments, quality = 0.571, support = 2.49, residual support = 2.06: HA PHE 62 - HN ILE 24 33.333% * 64.3331% (0.38 3.63 3.16) = 64.333% kept HA ARG+ 90 - HN ILE 24 33.333% * 20.3352% (0.99 0.43 0.12) = 20.335% kept HA THR 39 - HN ILE 24 33.333% * 15.3317% (0.84 0.39 0.02) = 15.332% kept Peak 970 (3.49, 8.34, 131.93 ppm): 1 chemical-shift based assignment, quality = 0.198, support = 5.77, residual support = 21.3: O HA GLU- 23 - HN ILE 24 100.000% *100.0000% (0.20 10.0 5.77 21.29) = 100.000% kept Peak 971 (1.82, 8.34, 131.93 ppm): 7 chemical-shift based assignments, quality = 0.926, support = 5.11, residual support = 113.7: O HB ILE 24 - HN ILE 24 14.286% * 83.5490% (0.97 10.0 5.27 125.79) = 83.549% kept HD3 PRO 25 - HN ILE 24 14.286% * 14.8261% (0.73 1.0 4.72 58.32) = 14.826% kept HG2 ARG+ 53 - HN ILE 24 14.286% * 1.4516% (0.84 1.0 0.40 0.22) = 1.452% kept HG LEU 42 - HN ILE 24 14.286% * 0.0693% (0.80 1.0 0.02 1.65) = 0.069% QE MET 10 - HN ILE 24 14.286% * 0.0388% (0.45 1.0 0.02 0.02) = 0.039% HB3 LYS+ 17 - HN ILE 24 14.286% * 0.0356% (0.41 1.0 0.02 3.63) = 0.036% HB3 ARG+ 90 - HN ILE 24 14.286% * 0.0295% (0.34 1.0 0.02 0.12) = 0.030% Peak 972 (1.70, 8.34, 131.93 ppm): 8 chemical-shift based assignments, quality = 0.653, support = 3.18, residual support = 27.2: HB2 GLU- 23 - HN ILE 24 12.500% * 46.4982% (0.61 4.50 21.29) = 46.498% kept HG2 PRO 25 - HN ILE 24 12.500% * 29.6624% (0.53 3.31 58.32) = 29.662% kept QD LYS+ 60 - HN ILE 24 12.500% * 8.9369% (1.00 0.53 0.02) = 8.937% kept HD3 LYS+ 55 - HN ILE 24 12.500% * 7.7178% (0.92 0.49 0.02) = 7.718% kept HG LEU 26 - HN ILE 24 12.500% * 5.2203% (0.98 0.31 0.02) = 5.220% kept HB3 LYS+ 55 - HN ILE 24 12.500% * 1.6162% (0.22 0.43 0.02) = 1.616% kept QB GLU- 30 - HN ILE 24 12.500% * 0.2956% (0.87 0.02 0.02) = 0.296% HG12 ILE 38 - HN ILE 24 12.500% * 0.0526% (0.15 0.02 0.02) = 0.053% Peak 973 (1.50, 8.34, 131.93 ppm): 6 chemical-shift based assignments, quality = 0.495, support = 4.04, residual support = 44.2: HG3 PRO 25 - HN ILE 24 16.667% * 65.8760% (0.57 4.18 58.32) = 65.876% kept HB3 GLU- 23 - HN ILE 24 16.667% * 26.4788% (0.20 4.81 21.29) = 26.479% kept HG3 LYS+ 17 - HN ILE 24 16.667% * 4.3213% (1.00 0.16 3.63) = 4.321% kept HG12 ILE 95 - HN ILE 24 16.667% * 2.6895% (0.98 0.10 0.10) = 2.690% kept HG2 ARG+ 48 - HN ILE 24 16.667% * 0.4254% (0.76 0.02 0.02) = 0.425% HB3 PHE 84 - HN ILE 24 16.667% * 0.2089% (0.38 0.02 0.02) = 0.209% Peak 974 (1.20, 8.34, 131.93 ppm): 7 chemical-shift based assignments, quality = 0.836, support = 2.84, residual support = 15.1: HG3 GLU- 23 - HN ILE 24 14.286% * 70.7825% (0.80 3.83 21.29) = 70.783% kept QG2 THR 39 - HN ILE 24 14.286% * 10.1171% (0.95 0.46 0.02) = 10.117% kept QE MET 54 - HN ILE 24 14.286% * 9.6574% (0.95 0.44 0.58) = 9.657% kept QG2 THR 4 - HN ILE 24 14.286% * 8.9244% (0.92 0.42 0.02) = 8.924% kept HD3 LYS+ 56 - HN ILE 24 14.286% * 0.2427% (0.53 0.02 0.02) = 0.243% HB3 LEU 42 - HN ILE 24 14.286% * 0.1732% (0.38 0.02 1.65) = 0.173% QG1 VAL 65 - HN ILE 24 14.286% * 0.1027% (0.22 0.02 0.02) = 0.103% Peak 975 (1.09, 8.34, 131.93 ppm): 4 chemical-shift based assignments, quality = 0.742, support = 4.11, residual support = 96.0: HG12 ILE 24 - HN ILE 24 25.000% * 74.4622% (0.80 4.92 125.79) = 74.462% kept QG1 VAL 52 - HN ILE 24 25.000% * 22.2514% (0.61 1.94 10.45) = 22.251% kept HG13 ILE 95 - HN ILE 24 25.000% * 3.0266% (0.34 0.47 0.10) = 3.027% kept HG13 ILE 14 - HN ILE 24 25.000% * 0.2599% (0.69 0.02 0.62) = 0.260% Peak 976 (0.78, 8.34, 131.93 ppm): 5 chemical-shift based assignments, quality = 0.5, support = 2.1, residual support = 1.9: QG2 VAL 61 - HN ILE 24 20.000% * 35.0670% (0.53 2.54 1.60) = 35.067% kept HG LEU 22 - HN ILE 24 20.000% * 28.6534% (0.45 2.44 3.21) = 28.653% kept QG2 VAL 71 - HN ILE 24 20.000% * 21.5675% (0.41 2.00 1.80) = 21.568% kept QG2 ILE 96 - HN ILE 24 20.000% * 11.2731% (0.73 0.59 0.10) = 11.273% kept HB2 LEU 76 - HN ILE 24 20.000% * 3.4390% (0.49 0.27 0.42) = 3.439% kept Peak 977 (0.58, 8.34, 131.93 ppm): 2 chemical-shift based assignments, quality = 0.951, support = 2.65, residual support = 5.84: QD2 LEU 22 - HN ILE 24 50.000% * 57.0365% (0.99 2.85 3.21) = 57.036% kept QD2 LEU 63 - HN ILE 24 50.000% * 42.9635% (0.90 2.38 9.34) = 42.964% kept Peak 978 (0.33, 8.34, 131.93 ppm): 4 chemical-shift based assignments, quality = 0.766, support = 4.05, residual support = 53.8: QD1 ILE 24 - HN ILE 24 25.000% * 39.9137% (0.57 6.31 125.79) = 39.914% kept QD1 LEU 63 - HN ILE 24 25.000% * 34.1465% (0.92 3.31 9.34) = 34.146% kept QG1 VAL 71 - HN ILE 24 25.000% * 18.4207% (0.92 1.79 1.80) = 18.421% kept QG1 VAL 7 - HN ILE 24 25.000% * 7.5191% (0.73 0.93 1.05) = 7.519% kept Peak 979 (8.75, 8.01, 124.68 ppm): 5 chemical-shift based assignments, quality = 0.863, support = 5.15, residual support = 30.5: T HN GLY 27 - HN LEU 26 20.000% * 91.7061% (0.87 10.00 5.53 33.11) = 91.706% kept HN MET 10 - HN LEU 26 20.000% * 5.4308% (0.87 1.00 1.18 2.07) = 5.431% kept HN PHE 13 - HN LEU 26 20.000% * 1.7993% (0.73 1.00 0.47 0.02) = 1.799% kept HN THR 64 - HN LEU 26 20.000% * 1.0345% (0.69 1.00 0.28 0.02) = 1.034% kept HN LEU 82 - HN LEU 26 20.000% * 0.0294% (0.28 1.00 0.02 0.97) = 0.029% Peak 980 (4.14, 8.01, 124.68 ppm): 8 chemical-shift based assignments, quality = 0.814, support = 4.29, residual support = 34.9: O HA LEU 26 - HN LEU 26 12.500% * 70.8751% (0.98 10.0 4.37 41.47) = 70.875% kept O HA PRO 25 - HN LEU 26 12.500% * 22.3173% (0.31 10.0 4.87 21.19) = 22.317% kept HA GLU- 16 - HN LEU 26 12.500% * 5.7975% (0.87 1.0 1.85 14.14) = 5.797% kept QB SER 19 - HN LEU 26 12.500% * 0.8524% (0.98 1.0 0.24 0.02) = 0.852% HA ILE 95 - HN LEU 26 12.500% * 0.0667% (0.92 1.0 0.02 0.02) = 0.067% HB THR 39 - HN LEU 26 12.500% * 0.0525% (0.73 1.0 0.02 0.02) = 0.053% HA SER 19 - HN LEU 26 12.500% * 0.0223% (0.31 1.0 0.02 0.02) = 0.022% HA GLU- 30 - HN LEU 26 12.500% * 0.0161% (0.22 1.0 0.02 0.16) = 0.016% Peak 981 (3.86, 8.01, 124.68 ppm): 5 chemical-shift based assignments, quality = 0.772, support = 1.54, residual support = 21.6: HA2 GLY 27 - HN LEU 26 20.000% * 63.7235% (0.73 2.09 33.11) = 63.723% kept HA SER 15 - HN LEU 26 20.000% * 26.6428% (0.95 0.67 1.95) = 26.643% kept HA GLU- 68 - HN LEU 26 20.000% * 8.7932% (0.65 0.32 0.28) = 8.793% kept HA MET 101 - HN LEU 26 20.000% * 0.7271% (0.87 0.02 0.02) = 0.727% HA VAL 65 - HN LEU 26 20.000% * 0.1134% (0.14 0.02 0.02) = 0.113% Peak 982 (2.23, 8.01, 124.68 ppm): 6 chemical-shift based assignments, quality = 0.827, support = 5.21, residual support = 21.0: O HB2 PRO 25 - HN LEU 26 16.667% * 98.9701% (0.84 10.0 5.26 21.19) = 98.970% kept HB3 GLN 8 - HN LEU 26 16.667% * 0.9240% (0.34 1.0 0.46 0.52) = 0.924% QG GLU- 77 - HN LEU 26 16.667% * 0.0404% (0.34 1.0 0.02 0.02) = 0.040% HB2 MET 101 - HN LEU 26 16.667% * 0.0264% (0.22 1.0 0.02 0.02) = 0.026% HB2 GLU- 77 - HN LEU 26 16.667% * 0.0208% (0.18 1.0 0.02 0.02) = 0.021% QG GLU- 6 - HN LEU 26 16.667% * 0.0183% (0.15 1.0 0.02 0.02) = 0.018% Peak 983 (1.82, 8.01, 124.68 ppm): 7 chemical-shift based assignments, quality = 0.713, support = 3.11, residual support = 15.1: HD3 PRO 25 - HN LEU 26 14.286% * 67.5794% (0.73 4.08 21.19) = 67.579% kept HB ILE 24 - HN LEU 26 14.286% * 16.8716% (0.97 0.77 0.02) = 16.872% kept HB3 LYS+ 17 - HN LEU 26 14.286% * 14.4424% (0.41 1.54 5.53) = 14.442% kept HG2 ARG+ 53 - HN LEU 26 14.286% * 0.3811% (0.84 0.02 0.02) = 0.381% HG LEU 42 - HN LEU 26 14.286% * 0.3654% (0.80 0.02 0.02) = 0.365% QE MET 10 - HN LEU 26 14.286% * 0.2046% (0.45 0.02 2.07) = 0.205% HB3 ARG+ 90 - HN LEU 26 14.286% * 0.1556% (0.34 0.02 0.02) = 0.156% Peak 984 (1.61, 8.01, 124.68 ppm): 6 chemical-shift based assignments, quality = 0.723, support = 4.82, residual support = 41.3: O QB LEU 26 - HN LEU 26 16.667% * 99.5301% (0.73 10.0 4.85 41.47) = 99.530% kept HB ILE 96 - HN LEU 26 16.667% * 0.1344% (0.98 1.0 0.02 0.02) = 0.134% HB VAL 94 - HN LEU 26 16.667% * 0.1323% (0.97 1.0 0.02 0.02) = 0.132% HG LEU 43 - HN LEU 26 16.667% * 0.1229% (0.90 1.0 0.02 0.02) = 0.123% QG LYS+ 80 - HN LEU 26 16.667% * 0.0563% (0.41 1.0 0.02 0.02) = 0.056% QG ARG+ 90 - HN LEU 26 16.667% * 0.0240% (0.18 1.0 0.02 0.02) = 0.024% Peak 985 (0.89, 8.01, 124.68 ppm): 4 chemical-shift based assignments, quality = 0.771, support = 3.29, residual support = 33.8: QD2 LEU 26 - HN LEU 26 25.000% * 81.4600% (0.73 3.90 41.47) = 81.460% kept QD1 ILE 85 - HN LEU 26 25.000% * 18.1539% (0.99 0.64 0.27) = 18.154% kept QD1 ILE 95 - HN LEU 26 25.000% * 0.2580% (0.45 0.02 0.02) = 0.258% QD2 LEU 43 - HN LEU 26 25.000% * 0.1281% (0.22 0.02 0.02) = 0.128% Peak 986 (8.04, 8.74, 106.16 ppm): 4 chemical-shift based assignments, quality = 0.816, support = 6.17, residual support = 19.5: T HN PHE 28 - HN GLY 27 25.000% * 77.3156% (0.95 10.00 6.74 18.26) = 77.316% kept T HN LEU 26 - HN GLY 27 25.000% * 16.1747% (0.20 10.00 5.53 33.11) = 16.175% kept HN ASP- 87 - HN GLY 27 25.000% * 3.7216% (0.98 1.00 0.93 0.02) = 3.722% kept HN ARG+ 48 - HN GLY 27 25.000% * 2.7881% (0.58 1.00 1.17 0.11) = 2.788% kept Peak 987 (7.56, 8.74, 106.16 ppm): 2 chemical-shift based assignments, quality = 0.983, support = 3.52, residual support = 3.89: HN ASN 29 - HN GLY 27 50.000% * 78.6507% (0.98 4.17 4.83) = 78.651% kept HN LYS+ 80 - HN GLY 27 50.000% * 21.3493% (0.99 1.12 0.44) = 21.349% kept Peak 988 (4.11, 8.74, 106.16 ppm): 6 chemical-shift based assignments, quality = 0.333, support = 4.8, residual support = 25.3: O HA LEU 26 - HN GLY 27 16.667% * 76.2420% (0.20 10.0 6.05 33.11) = 76.242% kept HA GLU- 30 - HN GLY 27 16.667% * 16.6193% (0.97 1.0 0.89 0.12) = 16.619% kept HA GLU- 16 - HN GLY 27 16.667% * 4.9280% (0.34 1.0 0.75 0.02) = 4.928% kept HA ILE 95 - HN GLY 27 16.667% * 1.9469% (0.28 1.0 0.36 0.02) = 1.947% kept HB THR 39 - HN GLY 27 16.667% * 0.1875% (0.49 1.0 0.02 0.02) = 0.188% QB SER 19 - HN GLY 27 16.667% * 0.0762% (0.20 1.0 0.02 0.02) = 0.076% Peak 989 (3.86, 8.74, 106.16 ppm): 5 chemical-shift based assignments, quality = 0.732, support = 3.63, residual support = 9.61: O HA2 GLY 27 - HN GLY 27 20.000% * 95.2803% (0.73 10.0 3.78 10.09) = 95.280% kept HA SER 15 - HN GLY 27 20.000% * 3.5543% (0.95 1.0 0.57 0.02) = 3.554% kept HA GLU- 68 - HN GLY 27 20.000% * 1.0339% (0.65 1.0 0.24 0.02) = 1.034% kept HA MET 101 - HN GLY 27 20.000% * 0.1138% (0.87 1.0 0.02 0.02) = 0.114% HA VAL 65 - HN GLY 27 20.000% * 0.0178% (0.14 1.0 0.02 0.02) = 0.018% Peak 990 (2.89, 8.74, 106.16 ppm): 2 chemical-shift based assignments, quality = 0.427, support = 0.624, residual support = 0.598: HB2 TYR 93 - HN GLY 27 50.000% * 94.8929% (0.41 0.66 0.63) = 94.893% kept HB2 ASN 75 - HN GLY 27 50.000% * 5.1071% (0.73 0.02 0.02) = 5.107% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 991 (2.25, 8.74, 106.16 ppm): 3 chemical-shift based assignments, quality = 0.874, support = 3.22, residual support = 2.25: HB2 PRO 25 - HN GLY 27 33.333% * 73.3927% (0.92 3.99 2.98) = 73.393% kept HB3 GLN 8 - HN GLY 27 33.333% * 19.3655% (0.90 1.08 0.28) = 19.366% kept HG2 GLN 83 - HN GLY 27 33.333% * 7.2418% (0.31 1.18 0.11) = 7.242% kept Peak 992 (1.58, 8.74, 106.16 ppm): 5 chemical-shift based assignments, quality = 0.544, support = 4.21, residual support = 25.2: QB LEU 26 - HN GLY 27 20.000% * 75.6802% (0.49 5.35 33.11) = 75.680% kept QG LYS+ 80 - HN GLY 27 20.000% * 17.8296% (0.80 0.77 0.44) = 17.830% kept HG12 ILE 85 - HN GLY 27 20.000% * 5.7529% (0.57 0.35 0.30) = 5.753% kept QG ARG+ 90 - HN GLY 27 20.000% * 0.5757% (0.99 0.02 0.02) = 0.576% HG2 LYS+ 72 - HN GLY 27 20.000% * 0.1615% (0.28 0.02 0.02) = 0.161% Peak 994 (1.69, 8.74, 106.16 ppm): 10 chemical-shift based assignments, quality = 0.696, support = 3.26, residual support = 13.8: HG LEU 26 - HN GLY 27 10.000% * 38.0581% (0.49 6.05 33.11) = 38.058% kept HG2 PRO 25 - HN GLY 27 10.000% * 24.7484% (0.99 1.93 2.98) = 24.748% kept HD3 LYS+ 55 - HN GLY 27 10.000% * 15.1113% (0.84 1.40 1.43) = 15.111% kept HB3 LYS+ 55 - HN GLY 27 10.000% * 14.4155% (0.76 1.46 1.43) = 14.415% kept HB2 LEU 43 - HN GLY 27 10.000% * 3.9888% (0.49 0.63 0.02) = 3.989% kept QB GLU- 30 - HN GLY 27 10.000% * 3.2650% (0.31 0.82 0.12) = 3.265% kept QD LYS+ 60 - HN GLY 27 10.000% * 0.1462% (0.57 0.02 0.02) = 0.146% QD LYS+ 17 - HN GLY 27 10.000% * 0.1359% (0.53 0.02 0.02) = 0.136% QD LYS+ 11 - HN GLY 27 10.000% * 0.0797% (0.31 0.02 0.02) = 0.080% QB PRO 12 - HN GLY 27 10.000% * 0.0511% (0.20 0.02 0.02) = 0.051% Peak 995 (0.90, 8.74, 106.16 ppm): 3 chemical-shift based assignments, quality = 0.797, support = 5.22, residual support = 29.7: QD2 LEU 26 - HN GLY 27 33.333% * 60.7886% (0.98 5.60 33.11) = 60.789% kept QD1 LEU 26 - HN GLY 27 33.333% * 28.7774% (0.45 5.80 33.11) = 28.777% kept QD1 ILE 85 - HN GLY 27 33.333% * 10.4340% (0.69 1.37 0.30) = 10.434% kept Peak 996 (8.75, 8.03, 122.00 ppm): 5 chemical-shift based assignments, quality = 0.852, support = 6.37, residual support = 17.1: T HN GLY 27 - HN PHE 28 20.000% * 93.6895% (0.87 10.00 6.74 18.26) = 93.690% kept HN PHE 13 - HN PHE 28 20.000% * 4.3786% (0.73 1.00 1.12 0.34) = 4.379% kept HN THR 64 - HN PHE 28 20.000% * 1.0860% (0.69 1.00 0.29 0.02) = 1.086% kept HN LEU 82 - HN PHE 28 20.000% * 0.4446% (0.28 1.00 0.30 0.13) = 0.445% HN MET 10 - HN PHE 28 20.000% * 0.4013% (0.87 1.00 0.09 0.02) = 0.401% Peak 997 (7.56, 8.03, 122.00 ppm): 2 chemical-shift based assignments, quality = 0.981, support = 4.76, residual support = 7.53: T HN ASN 29 - HN PHE 28 50.000% * 97.4904% (0.98 10.00 4.86 7.72) = 97.490% kept HN LYS+ 80 - HN PHE 28 50.000% * 2.5096% (0.99 1.00 0.51 0.02) = 2.510% kept Peak 998 (7.10, 8.03, 122.00 ppm): 1 chemical-shift based assignment, quality = 0.991, support = 4.28, residual support = 14.9: T HD22 ASN 69 - HN PHE 28 100.000% *100.0000% (0.99 10.00 4.28 14.93) = 100.000% kept Peak 999 (4.42, 8.03, 122.00 ppm): 5 chemical-shift based assignments, quality = 0.342, support = 1.91, residual support = 5.37: HA ASN 29 - HN PHE 28 20.000% * 69.5204% (0.15 2.71 7.72) = 69.520% kept HA1 GLY 98 - HN PHE 28 20.000% * 16.1488% (0.84 0.12 0.02) = 16.149% kept HA TRP 67 - HN PHE 28 20.000% * 11.9445% (0.76 0.09 0.02) = 11.945% kept HA GLU- 6 - HN PHE 28 20.000% * 1.2501% (0.38 0.02 0.02) = 1.250% kept HB THR 64 - HN PHE 28 20.000% * 1.1362% (0.34 0.02 0.02) = 1.136% kept Peak 1001 (4.29, 8.03, 122.00 ppm): 3 chemical-shift based assignments, quality = 0.643, support = 3.59, residual support = 20.0: O HA PHE 28 - HN PHE 28 33.333% * 90.4838% (0.61 10.0 3.83 22.10) = 90.484% kept HA PRO 12 - HN PHE 28 33.333% * 9.4867% (1.00 1.0 1.27 0.12) = 9.487% kept HA ALA 2 - HN PHE 28 33.333% * 0.0295% (0.20 1.0 0.02 0.02) = 0.030% Peak 1002 (4.14, 8.03, 122.00 ppm): 8 chemical-shift based assignments, quality = 0.829, support = 3.56, residual support = 11.9: HA LEU 26 - HN PHE 28 12.500% * 70.9511% (0.98 4.40 15.96) = 70.951% kept HA PRO 25 - HN PHE 28 12.500% * 12.8340% (0.31 2.53 4.12) = 12.834% kept HA GLU- 30 - HN PHE 28 12.500% * 5.9004% (0.22 1.61 0.02) = 5.900% kept HA ILE 95 - HN PHE 28 12.500% * 4.0599% (0.92 0.27 0.02) = 4.060% kept HB THR 39 - HN PHE 28 12.500% * 3.7559% (0.73 0.31 0.02) = 3.756% kept QB SER 19 - HN PHE 28 12.500% * 1.6831% (0.98 0.10 0.02) = 1.683% kept HA SER 19 - HN PHE 28 12.500% * 0.5300% (0.31 0.10 0.02) = 0.530% HA GLU- 16 - HN PHE 28 12.500% * 0.2856% (0.87 0.02 0.02) = 0.286% Peak 1003 (3.88, 8.03, 122.00 ppm): 7 chemical-shift based assignments, quality = 0.21, support = 4.68, residual support = 16.8: O HA2 GLY 27 - HN PHE 28 14.286% * 92.1408% (0.20 10.0 5.06 18.26) = 92.141% kept QD PRO 12 - HN PHE 28 14.286% * 3.3143% (0.53 1.0 0.27 0.12) = 3.314% kept HA GLU- 68 - HN PHE 28 14.286% * 1.7630% (0.15 1.0 0.49 0.02) = 1.763% kept HA VAL 65 - HN PHE 28 14.286% * 1.3072% (0.61 1.0 0.09 0.02) = 1.307% kept HA SER 15 - HN PHE 28 14.286% * 0.8658% (0.41 1.0 0.09 0.02) = 0.866% HA MET 101 - HN PHE 28 14.286% * 0.4176% (0.90 1.0 0.02 0.02) = 0.418% HB2 SER 21 - HN PHE 28 14.286% * 0.1914% (0.41 1.0 0.02 0.02) = 0.191% Peak 1004 (3.00, 8.03, 122.00 ppm): 6 chemical-shift based assignments, quality = 0.569, support = 0.526, residual support = 9.61: HB3 ASN 69 - HN PHE 28 16.667% * 64.3298% (0.45 0.75 14.93) = 64.330% kept HB2 TYR 97 - HN PHE 28 16.667% * 24.7173% (0.76 0.17 0.02) = 24.717% kept QE LYS+ 72 - HN PHE 28 16.667% * 3.5321% (0.92 0.02 0.02) = 3.532% kept QE LYS+ 11 - HN PHE 28 16.667% * 3.4316% (0.90 0.02 0.02) = 3.432% kept QE LYS+ 20 - HN PHE 28 16.667% * 3.3191% (0.87 0.02 0.02) = 3.319% kept HA ARG+ 88 - HN PHE 28 16.667% * 0.6701% (0.18 0.02 0.02) = 0.670% Peak 1005 (2.78, 8.03, 122.00 ppm): 5 chemical-shift based assignments, quality = 0.685, support = 3.07, residual support = 22.0: O HB3 PHE 28 - HN PHE 28 20.000% * 99.6872% (0.69 10.0 3.08 22.10) = 99.687% kept HB2 ASP- 73 - HN PHE 28 20.000% * 0.1259% (0.87 1.0 0.02 0.02) = 0.126% HB3 TYR 93 - HN PHE 28 20.000% * 0.0939% (0.65 1.0 0.02 0.02) = 0.094% HB2 TYR 81 - HN PHE 28 20.000% * 0.0706% (0.49 1.0 0.02 0.20) = 0.071% HB3 PHE 92 - HN PHE 28 20.000% * 0.0224% (0.15 1.0 0.02 0.02) = 0.022% Peak 1006 (2.25, 8.03, 122.00 ppm): 3 chemical-shift based assignments, quality = 0.88, support = 2.68, residual support = 3.37: HB2 PRO 25 - HN PHE 28 33.333% * 81.2159% (0.92 3.17 4.12) = 81.216% kept HB3 GLN 8 - HN PHE 28 33.333% * 12.3504% (0.90 0.50 0.02) = 12.350% kept HG2 GLN 83 - HN PHE 28 33.333% * 6.4337% (0.31 0.75 0.30) = 6.434% kept Peak 1007 (1.72, 8.03, 122.00 ppm): 8 chemical-shift based assignments, quality = 0.793, support = 3.06, residual support = 8.37: HG LEU 26 - HN PHE 28 12.500% * 48.4279% (0.76 4.62 15.96) = 48.428% kept HB2 GLU- 23 - HN PHE 28 12.500% * 28.0573% (1.00 2.05 1.53) = 28.057% kept QB GLU- 30 - HN PHE 28 12.500% * 9.4281% (0.92 0.74 0.02) = 9.428% kept HG12 ILE 38 - HN PHE 28 12.500% * 6.3517% (0.61 0.76 0.02) = 6.352% kept HB3 PRO 25 - HN PHE 28 12.500% * 5.0097% (0.15 2.37 4.12) = 5.010% kept HD3 LYS+ 55 - HN PHE 28 12.500% * 2.4032% (0.41 0.43 0.02) = 2.403% kept QD LYS+ 60 - HN PHE 28 12.500% * 0.1885% (0.69 0.02 0.02) = 0.189% HB2 ARG+ 48 - HN PHE 28 12.500% * 0.1336% (0.49 0.02 0.02) = 0.134% Peak 1008 (1.52, 8.03, 122.00 ppm): 2 chemical-shift based assignments, quality = 0.801, support = 1.42, residual support = 2.86: HG3 PRO 25 - HN PHE 28 50.000% * 51.5316% (0.69 1.66 4.12) = 51.532% kept HG2 GLU- 23 - HN PHE 28 50.000% * 48.4684% (0.92 1.16 1.53) = 48.468% kept Peak 1009 (0.89, 8.03, 122.00 ppm): 4 chemical-shift based assignments, quality = 0.707, support = 3.5, residual support = 9.93: QD2 LEU 26 - HN PHE 28 25.000% * 55.1058% (0.73 4.70 15.96) = 55.106% kept QD1 ILE 85 - HN PHE 28 25.000% * 24.7476% (0.99 1.55 0.72) = 24.748% kept QD2 LEU 43 - HN PHE 28 25.000% * 12.8288% (0.22 3.57 7.44) = 12.829% kept QD1 ILE 95 - HN PHE 28 25.000% * 7.3177% (0.45 1.01 0.02) = 7.318% kept Peak 1010 (0.61, 8.03, 122.00 ppm): 3 chemical-shift based assignments, quality = 0.627, support = 3.35, residual support = 6.31: QG2 ILE 24 - HN PHE 28 33.333% * 61.6196% (0.73 3.96 9.33) = 61.620% kept QD1 LEU 42 - HN PHE 28 33.333% * 28.9622% (0.49 2.78 1.89) = 28.962% kept QD1 ILE 96 - HN PHE 28 33.333% * 9.4181% (0.41 1.07 0.15) = 9.418% kept Peak 1011 (8.05, 7.56, 114.74 ppm): 6 chemical-shift based assignments, quality = 0.454, support = 3.73, residual support = 5.86: T HN PHE 28 - HN ASN 29 16.667% * 74.6461% (0.41 10.00 4.86 7.72) = 74.646% kept T HN MET 54 - HN ASN 29 16.667% * 20.0320% (0.61 10.00 0.36 0.44) = 20.032% kept HN ASP- 87 - HN ASN 29 16.667% * 3.2165% (0.73 1.00 0.49 0.02) = 3.217% kept HN ASP- 89 - HN ASN 29 16.667% * 1.3291% (0.20 1.00 0.74 0.84) = 1.329% kept HN ARG+ 48 - HN ASN 29 16.667% * 0.7518% (0.82 1.00 0.10 0.02) = 0.752% HN LEU 22 - HN ASN 29 16.667% * 0.0246% (0.14 1.00 0.02 0.02) = 0.025% Peak 1012 (7.10, 7.56, 114.74 ppm): 1 chemical-shift based assignment, quality = 0.991, support = 1.97, residual support = 1.97: HD22 ASN 69 - HN ASN 29 100.000% *100.0000% (0.99 1.97 1.97) = 100.000% kept Peak 1013 (4.35, 7.56, 114.74 ppm): 7 chemical-shift based assignments, quality = 0.892, support = 0.464, residual support = 0.268: HA ILE 38 - HN ASN 29 14.286% * 53.1346% (0.99 0.62 0.49) = 53.135% kept HA THR 4 - HN ASN 29 14.286% * 23.3047% (0.90 0.30 0.02) = 23.305% kept HB THR 4 - HN ASN 29 14.286% * 19.8921% (0.73 0.32 0.02) = 19.892% kept HA ILE 14 - HN ASN 29 14.286% * 1.4412% (0.84 0.02 0.02) = 1.441% kept HA PRO 33 - HN ASN 29 14.286% * 0.9078% (0.53 0.02 0.02) = 0.908% HA ASP- 73 - HN ASN 29 14.286% * 0.8399% (0.49 0.02 0.02) = 0.840% HA1 GLY 47 - HN ASN 29 14.286% * 0.4797% (0.28 0.02 0.02) = 0.480% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1014 (4.11, 7.56, 114.74 ppm): 6 chemical-shift based assignments, quality = 0.665, support = 2.34, residual support = 4.65: HA GLU- 30 - HN ASN 29 16.667% * 58.5568% (0.97 1.73 2.06) = 58.557% kept HA LEU 26 - HN ASN 29 16.667% * 29.7108% (0.20 4.28 11.26) = 29.711% kept HA ILE 95 - HN ASN 29 16.667% * 6.7952% (0.28 0.70 1.49) = 6.795% kept HB THR 39 - HN ASN 29 16.667% * 4.5591% (0.49 0.27 0.02) = 4.559% kept HA GLU- 16 - HN ASN 29 16.667% * 0.2393% (0.34 0.02 0.02) = 0.239% QB SER 19 - HN ASN 29 16.667% * 0.1388% (0.20 0.02 0.02) = 0.139% Peak 1015 (3.85, 7.56, 114.74 ppm): 5 chemical-shift based assignments, quality = 0.981, support = 1.89, residual support = 4.16: HA2 GLY 27 - HN ASN 29 20.000% * 86.2034% (0.99 2.16 4.83) = 86.203% kept HA GLU- 68 - HN ASN 29 20.000% * 9.5483% (1.00 0.24 0.02) = 9.548% kept HA SER 15 - HN ASN 29 20.000% * 3.7729% (0.84 0.11 0.02) = 3.773% kept HA MET 101 - HN ASN 29 20.000% * 0.2747% (0.34 0.02 0.02) = 0.275% HB3 SER 21 - HN ASN 29 20.000% * 0.2008% (0.25 0.02 0.02) = 0.201% Peak 1016 (2.89, 7.56, 114.74 ppm): 2 chemical-shift based assignments, quality = 0.6, support = 0.435, residual support = 1.96: HB2 ASN 75 - HN ASN 29 50.000% * 59.8622% (0.73 0.40 2.80) = 59.862% kept HB2 TYR 93 - HN ASN 29 50.000% * 40.1378% (0.41 0.48 0.70) = 40.138% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1017 (1.73, 7.56, 114.74 ppm): 9 chemical-shift based assignments, quality = 0.56, support = 1.9, residual support = 2.98: HG LEU 26 - HN ASN 29 11.111% * 21.6789% (0.22 4.28 11.26) = 21.679% kept HG12 ILE 38 - HN ASN 29 11.111% * 21.3997% (1.00 0.94 0.49) = 21.400% kept QB GLU- 30 - HN ASN 29 11.111% * 19.8613% (0.38 2.32 2.06) = 19.861% kept HB2 GLU- 23 - HN ASN 29 11.111% * 15.6544% (0.65 1.06 0.13) = 15.654% kept HB3 PRO 25 - HN ASN 29 11.111% * 12.6151% (0.65 0.86 0.02) = 12.615% kept HB ILE 14 - HN ASN 29 11.111% * 6.0668% (0.61 0.44 0.02) = 6.067% kept QD LYS+ 60 - HN ASN 29 11.111% * 1.1457% (0.18 0.29 0.28) = 1.146% kept HB2 LYS+ 55 - HN ASN 29 11.111% * 1.1318% (0.14 0.37 0.26) = 1.132% kept HB2 ARG+ 48 - HN ASN 29 11.111% * 0.4463% (0.98 0.02 0.02) = 0.446% Peak 1018 (1.61, 7.56, 114.74 ppm): 6 chemical-shift based assignments, quality = 0.774, support = 1.97, residual support = 7.71: QB LEU 26 - HN ASN 29 16.667% * 65.5543% (0.73 2.76 11.26) = 65.554% kept HB VAL 94 - HN ASN 29 16.667% * 16.4721% (0.97 0.52 1.97) = 16.472% kept HG LEU 43 - HN ASN 29 16.667% * 14.0339% (0.90 0.48 0.02) = 14.034% kept QG LYS+ 80 - HN ASN 29 16.667% * 3.1849% (0.41 0.24 0.10) = 3.185% kept HB ILE 96 - HN ASN 29 16.667% * 0.6404% (0.98 0.02 0.47) = 0.640% QG ARG+ 90 - HN ASN 29 16.667% * 0.1144% (0.18 0.02 0.02) = 0.114% Peak 1019 (0.90, 7.56, 114.74 ppm): 3 chemical-shift based assignments, quality = 0.748, support = 3.68, residual support = 10.2: QD2 LEU 26 - HN ASN 29 33.333% * 51.6154% (0.98 3.19 11.26) = 51.615% kept QD1 LEU 26 - HN ASN 29 33.333% * 37.9112% (0.45 5.12 11.26) = 37.911% kept QD1 ILE 85 - HN ASN 29 33.333% * 10.4734% (0.69 0.92 1.19) = 10.473% kept Peak 1020 (6.48, 7.34, 107.31 ppm): 1 chemical-shift based assignment, quality = 0.989, support = 1.0, residual support = 11.2: O T HD22 ASN 29 - HD21 ASN 29 100.000% *100.0000% (0.99 10.0 10.00 1.00 11.20) = 100.000% kept Peak 1021 (4.13, 7.34, 107.31 ppm): 6 chemical-shift based assignments, quality = 0.763, support = 1.34, residual support = 4.87: HA GLU- 30 - HD21 ASN 29 16.667% * 42.0807% (0.76 1.70 2.06) = 42.081% kept HA LEU 26 - HD21 ASN 29 16.667% * 32.7683% (0.72 1.40 11.26) = 32.768% kept HA ILE 95 - HD21 ASN 29 16.667% * 21.3262% (0.83 0.79 1.49) = 21.326% kept HB THR 39 - HD21 ASN 29 16.667% * 2.7753% (0.98 0.09 0.02) = 2.775% kept HA GLU- 16 - HD21 ASN 29 16.667% * 0.5800% (0.89 0.02 0.02) = 0.580% QB SER 19 - HD21 ASN 29 16.667% * 0.4696% (0.72 0.02 0.02) = 0.470% Peak 1022 (2.89, 7.34, 107.31 ppm): 2 chemical-shift based assignments, quality = 0.634, support = 0.851, residual support = 2.2: HB2 ASN 75 - HD21 ASN 29 50.000% * 71.3374% (0.72 0.93 2.80) = 71.337% kept HB2 TYR 93 - HD21 ASN 29 50.000% * 28.6626% (0.41 0.66 0.70) = 28.663% kept Peak 1023 (0.89, 7.34, 107.31 ppm): 4 chemical-shift based assignments, quality = 0.728, support = 1.59, residual support = 6.07: QD2 LEU 26 - HD21 ASN 29 25.000% * 47.8768% (0.72 2.03 11.26) = 47.877% kept QD1 ILE 85 - HD21 ASN 29 25.000% * 27.9684% (0.99 0.87 1.19) = 27.968% kept QD1 ILE 95 - HD21 ASN 29 25.000% * 23.2679% (0.45 1.60 1.49) = 23.268% kept QD2 LEU 43 - HD21 ASN 29 25.000% * 0.8869% (0.22 0.12 0.02) = 0.887% Peak 1024 (0.77, 7.34, 107.31 ppm): 3 chemical-shift based assignments, quality = 0.777, support = 0.689, residual support = 1.0: QG2 VAL 71 - HD21 ASN 29 33.333% * 68.7856% (0.94 0.75 1.41) = 68.786% kept QD1 LEU 43 - HD21 ASN 29 33.333% * 26.4765% (0.45 0.61 0.02) = 26.477% kept QG2 ILE 96 - HD21 ASN 29 33.333% * 4.7379% (0.20 0.25 0.47) = 4.738% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1025 (7.34, 6.48, 107.31 ppm): 3 chemical-shift based assignments, quality = 0.972, support = 0.994, residual support = 11.1: O T HD21 ASN 29 - HD22 ASN 29 33.333% * 99.4274% (0.98 10.0 10.00 1.00 11.20) = 99.427% kept HE21 GLN 83 - HD22 ASN 29 33.333% * 0.5529% (0.52 1.0 1.00 0.21 0.02) = 0.553% HN ASN 69 - HD22 ASN 29 33.333% * 0.0197% (0.19 1.0 1.00 0.02 1.97) = 0.020% Peak 1026 (2.89, 6.48, 107.31 ppm): 2 chemical-shift based assignments, quality = 0.643, support = 2.23, residual support = 2.33: HB2 ASN 75 - HD22 ASN 29 50.000% * 77.6672% (0.71 2.50 2.80) = 77.667% kept HB2 TYR 93 - HD22 ASN 29 50.000% * 22.3328% (0.40 1.27 0.70) = 22.333% kept Peak 1027 (0.87, 6.48, 107.31 ppm): 5 chemical-shift based assignments, quality = 0.708, support = 1.36, residual support = 2.77: QD1 ILE 95 - HD22 ASN 29 20.000% * 49.4663% (0.95 1.43 1.49) = 49.466% kept QD1 ILE 85 - HD22 ASN 29 20.000% * 20.6845% (0.52 1.10 1.19) = 20.685% kept QD2 LEU 26 - HD22 ASN 29 20.000% * 15.9000% (0.19 2.25 11.26) = 15.900% kept QD2 LEU 43 - HD22 ASN 29 20.000% * 13.6286% (0.75 0.50 0.02) = 13.629% kept QG2 VAL 40 - HD22 ASN 29 20.000% * 0.3206% (0.44 0.02 0.02) = 0.321% Peak 1028 (8.06, 7.46, 116.73 ppm): 10 chemical-shift based assignments, quality = 0.695, support = 0.794, residual support = 0.204: HN ASP- 89 - HN GLU- 30 10.000% * 41.4384% (0.69 1.23 0.39) = 41.438% kept HN ARG+ 48 - HN GLU- 30 10.000% * 24.4517% (0.97 0.51 0.15) = 24.452% kept HN MET 54 - HN GLU- 30 10.000% * 12.7248% (1.00 0.26 0.02) = 12.725% kept HN ASP- 87 - HN GLU- 30 10.000% * 8.0997% (0.22 0.74 0.02) = 8.100% kept HN ASP- 89 - HN TYR 31 10.000% * 4.4044% (0.25 0.36 0.02) = 4.404% kept HN ASP- 87 - HN TYR 31 10.000% * 4.3099% (0.08 1.09 0.02) = 4.310% kept HN MET 54 - HN TYR 31 10.000% * 2.0792% (0.36 0.12 0.02) = 2.079% kept HN ARG+ 48 - HN TYR 31 10.000% * 1.7346% (0.35 0.10 0.02) = 1.735% kept HN LEU 22 - HN GLU- 30 10.000% * 0.5568% (0.57 0.02 0.02) = 0.557% HN LEU 22 - HN TYR 31 10.000% * 0.2005% (0.20 0.02 0.02) = 0.200% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1029 (7.16, 7.46, 116.73 ppm): 2 chemical-shift based assignments, quality = 0.333, support = 2.78, residual support = 5.49: HN PHE 32 - HN TYR 31 50.000% * 57.2588% (0.19 4.04 8.92) = 57.259% kept HN PHE 32 - HN GLU- 30 50.000% * 42.7412% (0.53 1.09 0.88) = 42.741% kept Peak 1030 (6.72, 7.46, 116.73 ppm): 4 chemical-shift based assignments, quality = 0.466, support = 0.595, residual support = 0.211: T HN ASN 74 - HN GLU- 30 25.000% * 33.7736% (0.53 10.00 0.53 0.27) = 33.774% kept T HD22 ASN 75 - HN GLU- 30 25.000% * 31.5281% (0.69 10.00 0.38 0.13) = 31.528% kept T HN ASN 74 - HN TYR 31 25.000% * 24.2045% (0.19 10.00 1.06 0.24) = 24.205% kept T HD22 ASN 75 - HN TYR 31 25.000% * 10.4938% (0.25 10.00 0.35 0.20) = 10.494% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1031 (6.36, 7.46, 116.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1032 (4.79, 7.46, 116.73 ppm): 6 chemical-shift based assignments, quality = 0.611, support = 0.679, residual support = 0.816: HA THR 64 - HN GLU- 30 16.667% * 44.5773% (0.73 0.75 1.76) = 44.577% kept HA TYR 81 - HN GLU- 30 16.667% * 37.8403% (0.65 0.71 0.02) = 37.840% kept HA TYR 81 - HN TYR 31 16.667% * 9.0516% (0.23 0.47 0.26) = 9.052% kept HA THR 64 - HN TYR 31 16.667% * 8.1408% (0.26 0.38 0.02) = 8.141% kept HA TRP 50 - HN GLU- 30 16.667% * 0.2867% (0.18 0.02 0.02) = 0.287% HA TRP 50 - HN TYR 31 16.667% * 0.1032% (0.06 0.02 0.02) = 0.103% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1033 (4.44, 7.46, 116.73 ppm): 10 chemical-shift based assignments, quality = 0.308, support = 2.89, residual support = 14.7: O HA TYR 31 - HN TYR 31 10.000% * 55.9122% (0.11 10.0 3.69 22.73) = 55.912% kept HA TYR 31 - HN GLU- 30 10.000% * 23.2881% (0.31 1.0 3.00 7.19) = 23.288% kept HB THR 64 - HN GLU- 30 10.000% * 16.9207% (0.90 1.0 0.75 1.76) = 16.921% kept HA TRP 67 - HN GLU- 30 10.000% * 2.2784% (0.97 1.0 0.09 0.02) = 2.278% kept HA GLU- 6 - HN GLU- 30 10.000% * 0.4644% (0.92 1.0 0.02 0.02) = 0.464% HA1 GLY 98 - HN GLU- 30 10.000% * 0.4644% (0.92 1.0 0.02 0.02) = 0.464% HA TRP 67 - HN TYR 31 10.000% * 0.1748% (0.35 1.0 0.02 0.02) = 0.175% HA GLU- 6 - HN TYR 31 10.000% * 0.1672% (0.33 1.0 0.02 0.02) = 0.167% HA1 GLY 98 - HN TYR 31 10.000% * 0.1672% (0.33 1.0 0.02 0.02) = 0.167% HB THR 64 - HN TYR 31 10.000% * 0.1625% (0.32 1.0 0.02 0.02) = 0.162% Peak 1034 (3.02, 7.48, 116.84 ppm): 14 chemical-shift based assignments, quality = 0.727, support = 0.52, residual support = 0.105: HB3 ASN 69 - HN TYR 31 7.143% * 41.1792% (0.97 0.66 0.19) = 41.179% kept HA ARG+ 88 - HN TYR 31 7.143% * 27.5619% (0.69 0.62 0.02) = 27.562% kept QE LYS+ 20 - HN TYR 31 7.143% * 7.9418% (0.90 0.14 0.02) = 7.942% kept QE LYS+ 72 - HN TYR 31 7.143% * 7.1101% (0.38 0.29 0.26) = 7.110% kept HA ARG+ 88 - HN GLU- 30 7.143% * 6.7289% (0.25 0.42 0.02) = 6.729% kept QE LYS+ 72 - HN GLU- 30 7.143% * 3.2394% (0.14 0.37 0.02) = 3.239% kept HB3 ASN 69 - HN GLU- 30 7.143% * 2.8130% (0.35 0.13 0.02) = 2.813% kept HB2 TYR 97 - HN TYR 31 7.143% * 1.2435% (0.97 0.02 0.02) = 1.244% kept HE2 LYS+ 60 - HN TYR 31 7.143% * 0.5297% (0.41 0.02 0.02) = 0.530% HB2 TYR 97 - HN GLU- 30 7.143% * 0.4477% (0.35 0.02 0.02) = 0.448% QE LYS+ 11 - HN TYR 31 7.143% * 0.4395% (0.34 0.02 0.02) = 0.440% QE LYS+ 20 - HN GLU- 30 7.143% * 0.4161% (0.32 0.02 0.27) = 0.416% HE2 LYS+ 60 - HN GLU- 30 7.143% * 0.1907% (0.15 0.02 0.65) = 0.191% QE LYS+ 11 - HN GLU- 30 7.143% * 0.1583% (0.12 0.02 0.02) = 0.158% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1035 (2.80, 7.48, 116.84 ppm): 12 chemical-shift based assignments, quality = 0.776, support = 0.652, residual support = 0.366: HB2 TYR 81 - HN TYR 31 8.333% * 37.4859% (0.98 0.75 0.26) = 37.486% kept HB2 ASP- 73 - HN TYR 31 8.333% * 24.0837% (0.90 0.52 0.79) = 24.084% kept HB3 PHE 92 - HN TYR 31 8.333% * 21.9371% (0.65 0.66 0.11) = 21.937% kept HB2 ASP- 73 - HN GLU- 30 8.333% * 12.6546% (0.32 0.77 0.43) = 12.655% kept HB2 TYR 81 - HN GLU- 30 8.333% * 1.9412% (0.35 0.11 0.02) = 1.941% kept HB3 PHE 92 - HN GLU- 30 8.333% * 1.1287% (0.23 0.09 0.02) = 1.129% kept HB2 PHE 28 - HN TYR 31 8.333% * 0.2280% (0.22 0.02 0.02) = 0.228% HB3 PHE 28 - HN TYR 31 8.333% * 0.1793% (0.18 0.02 0.02) = 0.179% HB3 TYR 93 - HN TYR 31 8.333% * 0.1580% (0.15 0.02 0.02) = 0.158% HB2 PHE 28 - HN GLU- 30 8.333% * 0.0821% (0.08 0.02 0.02) = 0.082% HB3 PHE 28 - HN GLU- 30 8.333% * 0.0646% (0.06 0.02 0.02) = 0.065% HB3 TYR 93 - HN GLU- 30 8.333% * 0.0569% (0.06 0.02 0.02) = 0.057% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1036 (4.10, 7.46, 116.73 ppm): 2 chemical-shift based assignments, quality = 0.365, support = 1.87, residual support = 9.33: O HA GLU- 30 - HN GLU- 30 50.000% * 70.8009% (0.45 10.0 1.75 10.21) = 70.801% kept O HA GLU- 30 - HN TYR 31 50.000% * 29.1991% (0.16 10.0 2.17 7.19) = 29.199% kept Peak 1037 (1.72, 7.46, 116.73 ppm): 16 chemical-shift based assignments, quality = 0.851, support = 1.41, residual support = 9.46: O QB GLU- 30 - HN GLU- 30 6.250% * 87.9527% (0.92 10.0 1.35 10.21) = 87.953% kept QB GLU- 30 - HN TYR 31 6.250% * 6.5831% (0.33 1.0 2.81 7.19) = 6.583% kept HB2 ARG+ 48 - HN GLU- 30 6.250% * 3.5150% (0.49 1.0 1.03 0.15) = 3.515% kept HB2 GLU- 23 - HN GLU- 30 6.250% * 0.5890% (1.00 1.0 0.08 0.02) = 0.589% HG12 ILE 38 - HN TYR 31 6.250% * 0.5304% (0.22 1.0 0.34 0.02) = 0.530% HD3 LYS+ 55 - HN GLU- 30 6.250% * 0.3408% (0.41 1.0 0.12 0.12) = 0.341% HG LEU 26 - HN GLU- 30 6.250% * 0.1076% (0.76 1.0 0.02 0.16) = 0.108% QD LYS+ 60 - HN GLU- 30 6.250% * 0.0967% (0.69 1.0 0.02 0.65) = 0.097% HG12 ILE 38 - HN GLU- 30 6.250% * 0.0854% (0.61 1.0 0.02 0.02) = 0.085% HB2 GLU- 23 - HN TYR 31 6.250% * 0.0506% (0.36 1.0 0.02 0.02) = 0.051% HG LEU 26 - HN TYR 31 6.250% * 0.0388% (0.28 1.0 0.02 0.02) = 0.039% QD LYS+ 60 - HN TYR 31 6.250% * 0.0348% (0.25 1.0 0.02 0.02) = 0.035% HB2 ARG+ 48 - HN TYR 31 6.250% * 0.0247% (0.18 1.0 0.02 0.02) = 0.025% HB3 PRO 25 - HN GLU- 30 6.250% * 0.0217% (0.15 1.0 0.02 0.02) = 0.022% HD3 LYS+ 55 - HN TYR 31 6.250% * 0.0208% (0.15 1.0 0.02 0.02) = 0.021% HB3 PRO 25 - HN TYR 31 6.250% * 0.0078% (0.06 1.0 0.02 0.02) = 0.008% Peak 1038 (1.38, 7.46, 116.73 ppm): 8 chemical-shift based assignments, quality = 0.794, support = 1.07, residual support = 0.413: HG2 ARG+ 88 - HN GLU- 30 12.500% * 39.7217% (0.99 1.32 0.02) = 39.722% kept HG2 LYS+ 17 - HN GLU- 30 12.500% * 30.2083% (0.95 1.06 0.98) = 30.208% kept QB ALA 2 - HN GLU- 30 12.500% * 13.5517% (0.45 1.00 0.76) = 13.552% kept HG2 LYS+ 17 - HN TYR 31 12.500% * 6.9823% (0.34 0.68 0.02) = 6.982% kept QB ALA 2 - HN TYR 31 12.500% * 4.0833% (0.16 0.84 0.02) = 4.083% kept HG2 ARG+ 88 - HN TYR 31 12.500% * 3.3132% (0.36 0.31 0.02) = 3.313% kept QG LYS+ 55 - HN GLU- 30 12.500% * 2.0162% (0.57 0.12 0.12) = 2.016% kept QG LYS+ 55 - HN TYR 31 12.500% * 0.1234% (0.20 0.02 0.02) = 0.123% Peak 1039 (7.52, 7.15, 118.42 ppm): 1 chemical-shift based assignment, quality = 0.198, support = 1.02, residual support = 2.21: HN LYS+ 60 - HN PHE 32 100.000% *100.0000% (0.20 1.02 2.21) = 100.000% kept Not enough quality. Peak unassigned. Peak 1040 (6.36, 7.15, 118.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1041 (5.21, 7.15, 118.42 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 2.82, residual support = 13.6: O HA PHE 32 - HN PHE 32 100.000% *100.0000% (0.73 10.0 2.82 13.55) = 100.000% kept Peak 1042 (4.44, 7.15, 118.42 ppm): 5 chemical-shift based assignments, quality = 0.395, support = 3.08, residual support = 7.59: O HA TYR 31 - HN PHE 32 20.000% * 85.0226% (0.31 10.0 3.52 8.92) = 85.023% kept HA GLU- 6 - HN PHE 32 20.000% * 9.5358% (0.92 1.0 0.75 0.02) = 9.536% kept HB THR 64 - HN PHE 32 20.000% * 4.9214% (0.90 1.0 0.40 0.02) = 4.921% kept HA TRP 67 - HN PHE 32 20.000% * 0.2658% (0.97 1.0 0.02 0.02) = 0.266% HA1 GLY 98 - HN PHE 32 20.000% * 0.2543% (0.92 1.0 0.02 0.02) = 0.254% Peak 1043 (4.14, 7.15, 118.42 ppm): 8 chemical-shift based assignments, quality = 0.67, support = 0.921, residual support = 0.388: HA ILE 95 - HN PHE 32 12.500% * 41.3341% (0.92 0.78 0.33) = 41.334% kept HA GLU- 30 - HN PHE 32 12.500% * 25.3497% (0.22 1.99 0.88) = 25.350% kept HB THR 39 - HN PHE 32 12.500% * 14.9956% (0.73 0.36 0.16) = 14.996% kept HA LEU 26 - HN PHE 32 12.500% * 9.3948% (0.98 0.17 0.02) = 9.395% kept HA PRO 25 - HN PHE 32 12.500% * 6.4566% (0.31 0.37 0.02) = 6.457% kept QB SER 19 - HN PHE 32 12.500% * 1.1224% (0.98 0.02 0.02) = 1.122% kept HA GLU- 16 - HN PHE 32 12.500% * 0.9933% (0.87 0.02 0.02) = 0.993% HA SER 19 - HN PHE 32 12.500% * 0.3534% (0.31 0.02 0.02) = 0.353% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1044 (3.64, 7.15, 118.42 ppm): 2 chemical-shift based assignments, quality = 0.887, support = 0.31, residual support = 0.186: HD2 PRO 37 - HN PHE 32 50.000% * 56.0739% (0.80 0.37 0.23) = 56.074% kept HA2 GLY 58 - HN PHE 32 50.000% * 43.9261% (1.00 0.23 0.13) = 43.926% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1045 (3.06, 7.15, 118.42 ppm): 3 chemical-shift based assignments, quality = 0.793, support = 2.58, residual support = 13.4: O QB PHE 32 - HN PHE 32 33.333% * 98.0776% (0.80 10.0 2.62 13.55) = 98.078% kept HB2 PHE 92 - HN PHE 32 33.333% * 1.8883% (0.41 1.0 0.75 3.52) = 1.888% kept HE2 LYS+ 60 - HN PHE 32 33.333% * 0.0341% (0.28 1.0 0.02 2.21) = 0.034% Peak 1046 (2.87, 7.15, 118.42 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 0.75, residual support = 0.75: HB2 ASN 75 - HN PHE 32 100.000% *100.0000% (0.98 0.75 0.75) = 100.000% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1047 (1.95, 7.15, 118.42 ppm): 9 chemical-shift based assignments, quality = 0.602, support = 2.38, residual support = 5.36: HB3 TYR 31 - HN PHE 32 11.111% * 59.5465% (0.61 3.52 8.92) = 59.547% kept HB3 GLN 83 - HN PHE 32 11.111% * 14.7348% (0.57 0.93 0.15) = 14.735% kept QG PRO 37 - HN PHE 32 11.111% * 12.0164% (0.61 0.71 0.23) = 12.016% kept HB3 GLU- 77 - HN PHE 32 11.111% * 6.4842% (0.98 0.24 0.02) = 6.484% kept QB GLU- 6 - HN PHE 32 11.111% * 6.2493% (0.34 0.66 0.02) = 6.249% kept HB3 ARG+ 53 - HN PHE 32 11.111% * 0.5003% (0.90 0.02 0.11) = 0.500% HB3 GLU- 16 - HN PHE 32 11.111% * 0.1722% (0.31 0.02 0.02) = 0.172% HB2 LYS+ 60 - HN PHE 32 11.111% * 0.1722% (0.31 0.02 2.21) = 0.172% HB VAL 65 - HN PHE 32 11.111% * 0.1242% (0.22 0.02 0.02) = 0.124% Peak 1048 (1.75, 7.15, 118.42 ppm): 8 chemical-shift based assignments, quality = 0.675, support = 0.383, residual support = 0.0934: HB3 PRO 25 - HN PHE 32 12.500% * 34.1390% (1.00 0.33 0.02) = 34.139% kept HB ILE 95 - HN PHE 32 12.500% * 23.6837% (0.34 0.67 0.33) = 23.684% kept HG12 ILE 38 - HN PHE 32 12.500% * 23.0983% (0.61 0.37 0.02) = 23.098% kept HB2 LYS+ 55 - HN PHE 32 12.500% * 11.8714% (0.61 0.19 0.02) = 11.871% kept HB2 GLU- 23 - HN PHE 32 12.500% * 2.5310% (0.15 0.16 0.02) = 2.531% kept HB ILE 14 - HN PHE 32 12.500% * 2.0764% (1.00 0.02 0.02) = 2.076% kept HB2 ARG+ 48 - HN PHE 32 12.500% * 1.5078% (0.73 0.02 0.02) = 1.508% kept HB VAL 61 - HN PHE 32 12.500% * 1.0924% (0.53 0.02 0.02) = 1.092% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1055 (4.87, 7.99, 119.63 ppm): 2 chemical-shift based assignments, quality = 0.855, support = 0.196, residual support = 0.159: HA ASP- 78 - HN ALA 34 50.000% * 90.8911% (0.92 0.20 0.17) = 90.891% kept HA TYR 97 - HN ALA 34 50.000% * 9.1089% (0.18 0.11 0.02) = 9.109% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1056 (4.66, 7.99, 119.63 ppm): 3 chemical-shift based assignments, quality = 0.891, support = 0.264, residual support = 0.187: HA GLU- 77 - HN ALA 34 33.333% * 74.6480% (0.90 0.33 0.24) = 74.648% kept HA ILE 96 - HN ALA 34 33.333% * 20.7826% (0.87 0.09 0.02) = 20.783% kept HA ASP- 3 - HN ALA 34 33.333% * 4.5694% (0.90 0.02 0.02) = 4.569% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1057 (3.52, 7.99, 119.63 ppm): 5 chemical-shift based assignments, quality = 0.865, support = 0.297, residual support = 5.89: HD3 PRO 37 - HN ALA 34 20.000% * 54.4047% (0.76 0.41 10.81) = 54.405% kept HA LEU 76 - HN ALA 34 20.000% * 35.7728% (1.00 0.20 0.02) = 35.773% kept HB3 SER 15 - HN ALA 34 20.000% * 3.4688% (0.99 0.02 0.02) = 3.469% kept HA GLU- 23 - HN ALA 34 20.000% * 3.4304% (0.98 0.02 0.02) = 3.430% kept QB SER 49 - HN ALA 34 20.000% * 2.9232% (0.84 0.02 0.02) = 2.923% kept Peak 1058 (2.38, 7.99, 119.63 ppm): 4 chemical-shift based assignments, quality = 0.861, support = 0.44, residual support = 0.459: HG3 GLU- 68 - HN ALA 34 25.000% * 53.4990% (1.00 0.55 0.49) = 53.499% kept HB2 GLN 8 - HN ALA 34 25.000% * 19.8928% (0.41 0.50 0.97) = 19.893% kept HE3 LYS+ 56 - HN ALA 34 25.000% * 19.0622% (1.00 0.20 0.02) = 19.062% kept HB3 ASP- 89 - HN ALA 34 25.000% * 7.5460% (0.73 0.11 0.02) = 7.546% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1059 (2.04, 7.99, 119.63 ppm): 8 chemical-shift based assignments, quality = 0.818, support = 2.43, residual support = 4.85: HG2 PRO 33 - HN ALA 34 12.500% * 87.5501% (0.84 2.76 5.52) = 87.550% kept HB ILE 38 - HN ALA 34 12.500% * 7.4098% (0.98 0.20 0.11) = 7.410% kept HB2 ARG+ 53 - HN ALA 34 12.500% * 1.9788% (0.53 0.10 0.02) = 1.979% kept HG3 MET 54 - HN ALA 34 12.500% * 1.3500% (0.28 0.13 0.63) = 1.350% kept HB VAL 52 - HN ALA 34 12.500% * 0.7195% (0.95 0.02 0.02) = 0.719% QG PRO 12 - HN ALA 34 12.500% * 0.7195% (0.95 0.02 0.02) = 0.719% HG3 GLN 83 - HN ALA 34 12.500% * 0.1693% (0.22 0.02 0.02) = 0.169% HB3 MET 1 - HN ALA 34 12.500% * 0.1029% (0.14 0.02 0.02) = 0.103% Peak 1060 (1.32, 7.99, 119.63 ppm): 6 chemical-shift based assignments, quality = 0.172, support = 1.2, residual support = 3.73: O QB ALA 34 - HN ALA 34 16.667% * 98.3188% (0.18 10.0 1.22 3.80) = 98.319% kept QG2 THR 51 - HN ALA 34 16.667% * 0.5198% (0.57 1.0 0.02 0.02) = 0.520% HG12 ILE 14 - HN ALA 34 16.667% * 0.4830% (0.53 1.0 0.02 0.02) = 0.483% HG LEU 63 - HN ALA 34 16.667% * 0.3132% (0.34 1.0 0.02 0.02) = 0.313% QG LYS+ 60 - HN ALA 34 16.667% * 0.2044% (0.22 1.0 0.02 0.02) = 0.204% HB3 LEU 63 - HN ALA 34 16.667% * 0.1608% (0.18 1.0 0.02 0.02) = 0.161% Not enough quality. Peak unassigned. Peak 1061 (7.30, 8.43, 124.05 ppm): 1 chemical-shift based assignment, quality = 0.198, support = 0.02, residual support = 0.02: HE21 GLN 83 - HN PHE 36 100.000% *100.0000% (0.20 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1062 (4.88, 8.43, 124.05 ppm): 2 chemical-shift based assignments, quality = 0.768, support = 0.02, residual support = 0.02: HA ASP- 78 - HN PHE 36 50.000% * 54.8734% (0.84 0.02 0.02) = 54.873% kept HA TYR 97 - HN PHE 36 50.000% * 45.1266% (0.69 0.02 0.02) = 45.127% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1063 (4.69, 8.43, 124.05 ppm): 2 chemical-shift based assignments, quality = 0.977, support = 3.35, residual support = 12.0: HA PRO 37 - HN PHE 36 50.000% * 97.6585% (0.99 3.43 12.33) = 97.659% kept HA ILE 96 - HN PHE 36 50.000% * 2.3415% (0.38 0.22 0.02) = 2.341% kept Peak 1064 (3.58, 8.43, 124.05 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1065 (3.08, 8.43, 124.05 ppm): 3 chemical-shift based assignments, quality = 0.765, support = 0.681, residual support = 0.32: QB PHE 32 - HN PHE 36 33.333% * 48.3265% (0.95 0.62 0.18) = 48.327% kept HB2 PHE 9 - HN PHE 36 33.333% * 31.6855% (0.38 1.03 0.72) = 31.686% kept HB2 PHE 92 - HN PHE 36 33.333% * 19.9880% (0.95 0.26 0.02) = 19.988% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1066 (2.94, 8.43, 124.05 ppm): 8 chemical-shift based assignments, quality = 0.636, support = 0.623, residual support = 0.524: HB3 PHE 9 - HN PHE 36 12.500% * 44.6864% (0.84 0.75 0.72) = 44.686% kept HB2 ASP- 89 - HN PHE 36 12.500% * 24.9666% (0.57 0.62 0.37) = 24.967% kept HE3 LYS+ 60 - HN PHE 36 12.500% * 16.8686% (0.49 0.49 0.63) = 16.869% kept HD3 ARG+ 88 - HN PHE 36 12.500% * 8.5870% (0.22 0.54 0.02) = 8.587% kept QE LYS+ 55 - HN PHE 36 12.500% * 2.7744% (0.45 0.09 0.02) = 2.774% kept QE LYS+ 17 - HN PHE 36 12.500% * 1.0311% (0.73 0.02 0.02) = 1.031% kept QB ASN 29 - HN PHE 36 12.500% * 0.6911% (0.49 0.02 0.02) = 0.691% HD3 ARG+ 48 - HN PHE 36 12.500% * 0.3948% (0.28 0.02 0.02) = 0.395% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1067 (2.41, 8.43, 124.05 ppm): 6 chemical-shift based assignments, quality = 0.413, support = 2.39, residual support = 6.95: HB2 PRO 37 - HN PHE 36 16.667% * 55.6624% (0.31 3.73 12.33) = 55.662% kept HB3 ASP- 89 - HN PHE 36 16.667% * 23.7341% (0.49 1.01 0.37) = 23.734% kept HB2 GLN 8 - HN PHE 36 16.667% * 14.7249% (0.80 0.38 0.02) = 14.725% kept HG3 GLU- 68 - HN PHE 36 16.667% * 3.7421% (0.15 0.50 0.02) = 3.742% kept HA PHE 70 - HN PHE 36 16.667% * 1.3313% (0.18 0.16 0.02) = 1.331% kept HE3 LYS+ 56 - HN PHE 36 16.667% * 0.8052% (0.15 0.11 0.02) = 0.805% Peak 1068 (2.07, 8.43, 124.05 ppm): 7 chemical-shift based assignments, quality = 0.532, support = 1.69, residual support = 4.59: HB3 PRO 37 - HN PHE 36 14.286% * 37.1628% (0.14 3.73 12.33) = 37.163% kept HB2 LYS+ 11 - HN PHE 36 14.286% * 34.1681% (0.87 0.53 0.02) = 34.168% kept QB ARG+ 88 - HN PHE 36 14.286% * 24.1945% (0.69 0.48 0.02) = 24.195% kept QG PRO 12 - HN PHE 36 14.286% * 2.2932% (0.25 0.12 0.02) = 2.293% kept HG3 GLN 83 - HN PHE 36 14.286% * 1.4211% (0.97 0.02 0.02) = 1.421% kept HG2 MET 54 - HN PHE 36 14.286% * 0.5023% (0.34 0.02 0.02) = 0.502% HB2 GLU- 16 - HN PHE 36 14.286% * 0.2579% (0.18 0.02 0.02) = 0.258% Peak 1069 (1.88, 8.43, 124.05 ppm): 10 chemical-shift based assignments, quality = 0.432, support = 0.702, residual support = 0.226: HB3 PRO 33 - HN PHE 36 10.000% * 33.9421% (0.34 1.01 0.38) = 33.942% kept HG3 PRO 33 - HN PHE 36 10.000% * 23.3622% (0.20 1.19 0.38) = 23.362% kept QB MET 54 - HN PHE 36 10.000% * 15.4484% (0.57 0.28 0.02) = 15.448% kept HB3 GLU- 59 - HN PHE 36 10.000% * 14.9656% (0.69 0.22 0.02) = 14.966% kept HB VAL 7 - HN PHE 36 10.000% * 6.3082% (0.73 0.09 0.02) = 6.308% kept QB PHE 70 - HN PHE 36 10.000% * 1.7756% (0.90 0.02 0.02) = 1.776% kept QB LYS+ 80 - HN PHE 36 10.000% * 1.3600% (0.69 0.02 0.02) = 1.360% kept QB LYS+ 72 - HN PHE 36 10.000% * 1.2808% (0.65 0.02 0.02) = 1.281% kept HB3 LYS+ 11 - HN PHE 36 10.000% * 0.8140% (0.41 0.02 0.02) = 0.814% HB2 LYS+ 17 - HN PHE 36 10.000% * 0.7431% (0.38 0.02 0.02) = 0.743% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1070 (1.32, 8.43, 124.05 ppm): 6 chemical-shift based assignments, quality = 0.317, support = 1.53, residual support = 0.664: HG LEU 63 - HN PHE 36 16.667% * 27.4172% (0.34 1.49 0.41) = 27.417% kept QG LYS+ 60 - HN PHE 36 16.667% * 25.5027% (0.22 2.12 0.63) = 25.503% kept HG12 ILE 14 - HN PHE 36 16.667% * 24.3360% (0.53 0.85 0.22) = 24.336% kept QB ALA 34 - HN PHE 36 16.667% * 18.4014% (0.18 1.94 1.76) = 18.401% kept HB3 LEU 63 - HN PHE 36 16.667% * 3.7299% (0.18 0.39 0.41) = 3.730% kept QG2 THR 51 - HN PHE 36 16.667% * 0.6127% (0.57 0.02 0.02) = 0.613% Peak 1071 (7.50, 8.19, 119.57 ppm): 3 chemical-shift based assignments, quality = 0.566, support = 5.65, residual support = 49.0: T HN THR 39 - HN ILE 38 33.333% * 79.9307% (0.53 10.00 6.16 58.11) = 79.931% kept HN LYS+ 60 - HN ILE 38 33.333% * 20.0224% (0.73 1.00 3.63 12.78) = 20.022% kept HN TYR 31 - HN ILE 38 33.333% * 0.0469% (0.31 1.00 0.02 0.02) = 0.047% Peak 1072 (4.35, 8.19, 119.57 ppm): 7 chemical-shift based assignments, quality = 0.959, support = 5.67, residual support = 171.0: O HA ILE 38 - HN ILE 38 14.286% * 93.4651% (0.99 10.0 5.90 181.97) = 93.465% kept HA PRO 33 - HN ILE 38 14.286% * 6.2310% (0.53 1.0 2.51 14.12) = 6.231% kept HA THR 4 - HN ILE 38 14.286% * 0.0846% (0.90 1.0 0.02 0.02) = 0.085% HA ILE 14 - HN ILE 38 14.286% * 0.0788% (0.84 1.0 0.02 0.15) = 0.079% HB THR 4 - HN ILE 38 14.286% * 0.0685% (0.73 1.0 0.02 0.02) = 0.068% HA ASP- 73 - HN ILE 38 14.286% * 0.0459% (0.49 1.0 0.02 0.02) = 0.046% HA1 GLY 47 - HN ILE 38 14.286% * 0.0262% (0.28 1.0 0.02 0.02) = 0.026% Peak 1073 (3.95, 8.19, 119.57 ppm): 4 chemical-shift based assignments, quality = 0.663, support = 0.0701, residual support = 0.0377: HB THR 51 - HN ILE 38 25.000% * 77.1953% (0.76 0.08 0.02) = 77.195% kept HB THR 91 - HN ILE 38 25.000% * 8.1165% (0.34 0.02 0.24) = 8.117% kept HA2 GLY 5 - HN ILE 38 25.000% * 7.3441% (0.31 0.02 0.02) = 7.344% kept HA1 GLY 27 - HN ILE 38 25.000% * 7.3441% (0.31 0.02 0.02) = 7.344% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1074 (2.32, 8.19, 119.57 ppm): 2 chemical-shift based assignments, quality = 0.796, support = 3.35, residual support = 9.71: HB2 PRO 33 - HN ILE 38 50.000% * 64.2907% (0.73 4.19 14.12) = 64.291% kept QG GLU- 59 - HN ILE 38 50.000% * 35.7093% (0.92 1.83 1.76) = 35.709% kept Peak 1075 (2.00, 8.19, 119.57 ppm): 6 chemical-shift based assignments, quality = 0.677, support = 0.495, residual support = 0.184: HB3 MET 1 - HN ILE 38 16.667% * 35.9737% (0.65 0.64 0.20) = 35.974% kept HB2 LYS+ 20 - HN ILE 38 16.667% * 32.0846% (0.98 0.38 0.23) = 32.085% kept HG3 MET 54 - HN ILE 38 16.667% * 20.5316% (0.41 0.58 0.12) = 20.532% kept HB VAL 65 - HN ILE 38 16.667% * 9.3193% (0.45 0.24 0.11) = 9.319% kept HB2 ARG+ 53 - HN ILE 38 16.667% * 1.8238% (0.20 0.11 0.22) = 1.824% kept HB3 GLN 83 - HN ILE 38 16.667% * 0.2670% (0.15 0.02 0.02) = 0.267% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1076 (1.72, 8.19, 119.57 ppm): 8 chemical-shift based assignments, quality = 0.608, support = 5.08, residual support = 156.2: HG12 ILE 38 - HN ILE 38 12.500% * 85.4130% (0.61 5.90 181.97) = 85.413% kept QD LYS+ 60 - HN ILE 38 12.500% * 6.1371% (0.69 0.37 12.78) = 6.137% kept HD3 LYS+ 55 - HN ILE 38 12.500% * 3.7608% (0.41 0.38 0.88) = 3.761% kept QB GLU- 30 - HN ILE 38 12.500% * 3.5422% (0.92 0.16 0.02) = 3.542% kept HB2 GLU- 23 - HN ILE 38 12.500% * 0.4762% (1.00 0.02 0.02) = 0.476% HG LEU 26 - HN ILE 38 12.500% * 0.3648% (0.76 0.02 0.02) = 0.365% HB2 ARG+ 48 - HN ILE 38 12.500% * 0.2323% (0.49 0.02 0.02) = 0.232% HB3 PRO 25 - HN ILE 38 12.500% * 0.0736% (0.15 0.02 0.02) = 0.074% Peak 1077 (1.38, 8.19, 119.57 ppm): 4 chemical-shift based assignments, quality = 0.764, support = 0.787, residual support = 0.439: HG2 ARG+ 88 - HN ILE 38 25.000% * 39.7737% (0.99 0.81 0.37) = 39.774% kept QB ALA 2 - HN ILE 38 25.000% * 23.8203% (0.45 1.07 0.41) = 23.820% kept QG LYS+ 55 - HN ILE 38 25.000% * 21.5551% (0.57 0.77 0.88) = 21.555% kept HG2 LYS+ 17 - HN ILE 38 25.000% * 14.8509% (0.95 0.32 0.02) = 14.851% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1078 (1.12, 8.19, 119.57 ppm): 6 chemical-shift based assignments, quality = 0.944, support = 5.29, residual support = 156.6: QG2 ILE 38 - HN ILE 38 16.667% * 86.0475% (1.00 6.02 181.97) = 86.047% kept QG2 VAL 65 - HN ILE 38 16.667% * 7.8635% (0.53 1.05 0.11) = 7.864% kept HG3 ARG+ 88 - HN ILE 38 16.667% * 5.5730% (0.76 0.51 0.37) = 5.573% kept HG13 ILE 95 - HN ILE 38 16.667% * 0.2480% (0.87 0.02 0.02) = 0.248% HG13 ILE 14 - HN ILE 38 16.667% * 0.1504% (0.53 0.02 0.15) = 0.150% HG12 ILE 24 - HN ILE 38 16.667% * 0.1176% (0.41 0.02 0.02) = 0.118% Peak 1079 (1.01, 8.19, 119.57 ppm): 6 chemical-shift based assignments, quality = 0.81, support = 4.49, residual support = 130.7: QD1 ILE 38 - HN ILE 38 16.667% * 71.4122% (0.90 5.88 181.97) = 71.412% kept QG2 THR 64 - HN ILE 38 16.667% * 10.2565% (0.45 1.69 6.58) = 10.256% kept QG1 VAL 40 - HN ILE 38 16.667% * 6.5681% (0.73 0.67 1.07) = 6.568% kept HG LEU 76 - HN ILE 38 16.667% * 6.3130% (0.73 0.64 0.02) = 6.313% kept QG2 THR 91 - HN ILE 38 16.667% * 5.3899% (0.57 0.70 0.24) = 5.390% kept QG2 ILE 85 - HN ILE 38 16.667% * 0.0603% (0.22 0.02 0.02) = 0.060% Peak 1080 (8.18, 7.49, 107.96 ppm): 4 chemical-shift based assignments, quality = 0.966, support = 5.6, residual support = 50.1: T HN ILE 38 - HN THR 39 25.000% * 86.1472% (0.99 10.00 6.16 58.11) = 86.147% kept HN SER 21 - HN THR 39 25.000% * 10.2356% (1.00 1.00 2.36 0.61) = 10.236% kept HN GLU- 6 - HN THR 39 25.000% * 2.1262% (0.38 1.00 1.30 0.02) = 2.126% kept HN SER 19 - HN THR 39 25.000% * 1.4910% (0.15 1.00 2.22 0.02) = 1.491% kept Peak 1081 (9.15, 7.49, 107.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1082 (7.00, 7.49, 107.96 ppm): 2 chemical-shift based assignments, quality = 0.625, support = 0.892, residual support = 0.813: HE ARG+ 90 - HN THR 39 50.000% * 95.4738% (0.65 0.93 0.85) = 95.474% kept HN PHE 70 - HN THR 39 50.000% * 4.5262% (0.15 0.18 0.02) = 4.526% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1083 (5.25, 7.49, 107.96 ppm): 3 chemical-shift based assignments, quality = 0.836, support = 5.41, residual support = 28.5: O HA THR 39 - HN THR 39 33.333% * 91.9261% (0.84 10.0 5.79 30.99) = 91.926% kept HA ARG+ 90 - HN THR 39 33.333% * 6.1217% (0.99 1.0 1.12 0.85) = 6.122% kept HA PHE 62 - HN THR 39 33.333% * 1.9522% (0.38 1.0 0.95 0.02) = 1.952% kept Peak 1084 (4.34, 7.49, 107.96 ppm): 7 chemical-shift based assignments, quality = 0.681, support = 6.5, residual support = 56.8: O HA ILE 38 - HN THR 39 14.286% * 97.6576% (0.69 10.0 6.64 58.11) = 97.658% kept HA ALA 2 - HN THR 39 14.286% * 1.8789% (0.53 1.0 0.50 0.16) = 1.879% kept HA ASP- 73 - HN THR 39 14.286% * 0.1394% (0.98 1.0 0.02 0.02) = 0.139% HB THR 4 - HN THR 39 14.286% * 0.1394% (0.98 1.0 0.02 0.02) = 0.139% HA THR 4 - HN THR 39 14.286% * 0.1233% (0.87 1.0 0.02 0.02) = 0.123% HA ILE 14 - HN THR 39 14.286% * 0.0395% (0.28 1.0 0.02 0.02) = 0.040% HA PHE 28 - HN THR 39 14.286% * 0.0219% (0.15 1.0 0.02 0.02) = 0.022% Peak 1085 (2.32, 7.49, 107.96 ppm): 2 chemical-shift based assignments, quality = 0.821, support = 4.16, residual support = 5.33: HB2 PRO 33 - HN THR 39 50.000% * 52.0344% (0.73 4.79 6.92) = 52.034% kept QG GLU- 59 - HN THR 39 50.000% * 47.9656% (0.92 3.47 3.61) = 47.966% kept Peak 1086 (2.01, 7.49, 107.96 ppm): 7 chemical-shift based assignments, quality = 0.59, support = 2.96, residual support = 15.1: HG2 PRO 33 - HN THR 39 14.286% * 22.9690% (0.38 3.77 6.92) = 22.969% kept HB ILE 38 - HN THR 39 14.286% * 21.7469% (0.20 6.77 58.11) = 21.747% kept HB2 LYS+ 20 - HN THR 39 14.286% * 21.1569% (0.76 1.71 0.56) = 21.157% kept HB3 MET 1 - HN THR 39 14.286% * 13.4500% (1.00 0.83 0.15) = 13.450% kept HG3 MET 54 - HN THR 39 14.286% * 12.0468% (0.92 0.80 4.69) = 12.047% kept HB2 ARG+ 53 - HN THR 39 14.286% * 7.7754% (0.69 0.70 2.71) = 7.775% kept HB VAL 52 - HN THR 39 14.286% * 0.8550% (0.25 0.21 1.14) = 0.855% Peak 1087 (1.75, 7.49, 107.96 ppm): 8 chemical-shift based assignments, quality = 0.632, support = 5.54, residual support = 46.7: HG12 ILE 38 - HN THR 39 12.500% * 80.2751% (0.61 6.79 58.11) = 80.275% kept HB2 ARG+ 48 - HN THR 39 12.500% * 9.9299% (0.73 0.70 0.50) = 9.930% kept HB2 LYS+ 55 - HN THR 39 12.500% * 2.9634% (0.61 0.25 0.54) = 2.963% kept HB ILE 14 - HN THR 39 12.500% * 2.6291% (1.00 0.13 0.02) = 2.629% kept HB VAL 61 - HN THR 39 12.500% * 2.2963% (0.53 0.22 0.02) = 2.296% kept HB3 PRO 25 - HN THR 39 12.500% * 1.7130% (1.00 0.09 0.02) = 1.713% kept HB ILE 95 - HN THR 39 12.500% * 0.1330% (0.34 0.02 0.02) = 0.133% HB2 GLU- 23 - HN THR 39 12.500% * 0.0602% (0.15 0.02 0.02) = 0.060% Peak 1088 (1.41, 7.49, 107.96 ppm): 3 chemical-shift based assignments, quality = 0.608, support = 4.43, residual support = 37.0: HG13 ILE 38 - HN THR 39 33.333% * 63.3449% (0.45 6.44 58.11) = 63.345% kept HB3 LYS+ 60 - HN THR 39 33.333% * 18.5380% (1.00 0.84 0.99) = 18.538% kept QB ALA 2 - HN THR 39 33.333% * 18.1171% (0.76 1.08 0.16) = 18.117% kept Peak 1089 (1.14, 7.49, 107.96 ppm): 6 chemical-shift based assignments, quality = 0.718, support = 5.3, residual support = 42.3: QG2 ILE 38 - HN THR 39 16.667% * 72.4627% (0.65 6.97 58.11) = 72.463% kept QG2 VAL 65 - HN THR 39 16.667% * 18.2771% (0.98 1.16 0.69) = 18.277% kept HG3 ARG+ 88 - HN THR 39 16.667% * 5.3535% (0.98 0.34 0.02) = 5.353% kept HG3 ARG+ 48 - HN THR 39 16.667% * 3.6979% (0.49 0.47 0.50) = 3.698% kept HG13 ILE 95 - HN THR 39 16.667% * 0.1097% (0.34 0.02 0.02) = 0.110% HB3 LEU 43 - HN THR 39 16.667% * 0.0992% (0.31 0.02 0.02) = 0.099% Peak 1090 (0.99, 7.49, 107.96 ppm): 7 chemical-shift based assignments, quality = 0.911, support = 4.38, residual support = 36.5: QD1 ILE 38 - HN THR 39 14.286% * 56.5795% (0.87 6.56 58.11) = 56.580% kept QG1 VAL 40 - HN THR 39 14.286% * 18.8234% (0.98 1.93 17.36) = 18.823% kept QG2 THR 64 - HN THR 39 14.286% * 12.7087% (0.97 1.32 1.26) = 12.709% kept HG LEU 76 - HN THR 39 14.286% * 11.5528% (0.98 1.19 1.31) = 11.553% kept QG2 ILE 14 - HN THR 39 14.286% * 0.1531% (0.18 0.09 0.02) = 0.153% QG2 ILE 85 - HN THR 39 14.286% * 0.1519% (0.76 0.02 0.02) = 0.152% HG3 LYS+ 56 - HN THR 39 14.286% * 0.0307% (0.15 0.02 0.02) = 0.031% Peak 1091 (9.63, 9.11, 112.56 ppm): 3 chemical-shift based assignments, quality = 0.919, support = 2.89, residual support = 12.1: T HN VAL 52 - HN VAL 40 33.333% * 98.9638% (0.92 10.00 2.91 12.21) = 98.964% kept HN ILE 85 - HN VAL 40 33.333% * 1.0175% (0.57 1.00 0.34 0.15) = 1.017% kept HN TYR 86 - HN VAL 40 33.333% * 0.0188% (0.18 1.00 0.02 0.17) = 0.019% Peak 1092 (8.92, 9.11, 112.56 ppm): 4 chemical-shift based assignments, quality = 0.873, support = 2.94, residual support = 13.0: T HN ASP- 41 - HN VAL 40 25.000% * 64.4071% (0.92 10.00 3.76 18.78) = 64.407% kept T HN GLU- 16 - HN VAL 40 25.000% * 24.7051% (0.73 10.00 0.98 2.72) = 24.705% kept HN VAL 65 - HN VAL 40 25.000% * 9.4370% (1.00 1.00 2.71 2.79) = 9.437% kept HN LEU 63 - HN VAL 40 25.000% * 1.4509% (0.31 1.00 1.35 0.80) = 1.451% kept Peak 1093 (8.08, 9.11, 112.56 ppm): 4 chemical-shift based assignments, quality = 0.688, support = 2.14, residual support = 6.1: T HN MET 54 - HN VAL 40 25.000% * 87.5552% (0.65 10.00 2.29 6.95) = 87.555% kept HN ARG+ 48 - HN VAL 40 25.000% * 8.9026% (0.99 1.00 1.33 0.15) = 8.903% kept HN LEU 22 - HN VAL 40 25.000% * 3.4080% (1.00 1.00 0.50 0.02) = 3.408% kept HN ASP- 89 - HN VAL 40 25.000% * 0.1341% (0.99 1.00 0.02 0.02) = 0.134% Peak 1094 (5.37, 9.11, 112.56 ppm): 2 chemical-shift based assignments, quality = 0.964, support = 0.76, residual support = 1.12: HA LEU 42 - HN VAL 40 50.000% * 52.6861% (0.98 0.79 1.52) = 52.686% kept HA THR 91 - HN VAL 40 50.000% * 47.3139% (0.95 0.73 0.67) = 47.314% kept Peak 1095 (5.25, 9.11, 112.56 ppm): 3 chemical-shift based assignments, quality = 0.836, support = 3.81, residual support = 16.7: O HA THR 39 - HN VAL 40 33.333% * 95.2793% (0.84 10.0 3.96 17.36) = 95.279% kept HA ARG+ 90 - HN VAL 40 33.333% * 3.6050% (0.99 1.0 0.64 2.86) = 3.605% kept HA PHE 62 - HN VAL 40 33.333% * 1.1157% (0.38 1.0 0.52 2.50) = 1.116% kept Peak 1096 (5.11, 9.11, 112.56 ppm): 4 chemical-shift based assignments, quality = 0.964, support = 4.33, residual support = 46.7: O HA VAL 40 - HN VAL 40 25.000% * 99.8899% (0.97 10.0 4.33 46.74) = 99.890% kept HA GLN 83 - HN VAL 40 25.000% * 0.0711% (0.69 1.0 0.02 0.20) = 0.071% HA LYS+ 56 - HN VAL 40 25.000% * 0.0230% (0.22 1.0 0.02 0.02) = 0.023% HA1 GLY 66 - HN VAL 40 25.000% * 0.0160% (0.15 1.0 0.02 0.02) = 0.016% Peak 1097 (4.79, 9.11, 112.56 ppm): 3 chemical-shift based assignments, quality = 0.723, support = 1.4, residual support = 3.16: HA THR 64 - HN VAL 40 33.333% * 98.4286% (0.73 1.42 3.21) = 98.429% kept HA TYR 81 - HN VAL 40 33.333% * 1.2366% (0.65 0.02 0.02) = 1.237% kept HA TRP 50 - HN VAL 40 33.333% * 0.3348% (0.18 0.02 0.24) = 0.335% Peak 1098 (4.13, 9.11, 112.56 ppm): 6 chemical-shift based assignments, quality = 0.95, support = 2.72, residual support = 14.4: HB THR 39 - HN VAL 40 16.667% * 80.1537% (0.98 3.23 17.36) = 80.154% kept HA GLU- 16 - HN VAL 40 16.667% * 17.0469% (0.90 0.75 2.72) = 17.047% kept HA LEU 26 - HN VAL 40 16.667% * 1.6206% (0.73 0.09 0.02) = 1.621% kept HA ILE 95 - HN VAL 40 16.667% * 0.4234% (0.84 0.02 0.02) = 0.423% HA GLU- 30 - HN VAL 40 16.667% * 0.3874% (0.76 0.02 0.02) = 0.387% QB SER 19 - HN VAL 40 16.667% * 0.3681% (0.73 0.02 0.02) = 0.368% Peak 1099 (2.26, 9.11, 112.56 ppm): 5 chemical-shift based assignments, quality = 0.415, support = 3.59, residual support = 44.0: O HB VAL 40 - HN VAL 40 20.000% * 93.9085% (0.41 10.0 3.79 46.74) = 93.909% kept QG GLU- 16 - HN VAL 40 20.000% * 2.1339% (0.22 1.0 0.84 2.72) = 2.134% kept HG2 GLN 83 - HN VAL 40 20.000% * 2.0934% (0.87 1.0 0.21 0.20) = 2.093% kept HB2 PRO 25 - HN VAL 40 20.000% * 1.6660% (0.38 1.0 0.39 0.02) = 1.666% kept HB3 GLN 8 - HN VAL 40 20.000% * 0.1981% (0.87 1.0 0.02 0.02) = 0.198% Peak 1100 (2.03, 9.11, 112.56 ppm): 8 chemical-shift based assignments, quality = 0.859, support = 2.27, residual support = 5.6: HB2 ARG+ 53 - HN VAL 40 12.500% * 30.8037% (0.99 2.71 2.79) = 30.804% kept HB VAL 52 - HN VAL 40 12.500% * 24.0731% (0.80 2.62 12.21) = 24.073% kept HG3 MET 54 - HN VAL 40 12.500% * 23.0547% (0.84 2.40 6.95) = 23.055% kept HB ILE 38 - HN VAL 40 12.500% * 13.1276% (0.73 1.57 1.07) = 13.128% kept HG2 PRO 33 - HN VAL 40 12.500% * 6.6705% (0.92 0.63 0.87) = 6.670% kept HB3 MET 1 - HN VAL 40 12.500% * 1.9217% (0.61 0.28 0.02) = 1.922% kept HB2 LYS+ 20 - HN VAL 40 12.500% * 0.2544% (0.22 0.10 0.02) = 0.254% QG PRO 12 - HN VAL 40 12.500% * 0.0944% (0.41 0.02 0.02) = 0.094% Peak 1101 (1.75, 9.11, 112.56 ppm): 8 chemical-shift based assignments, quality = 0.731, support = 1.22, residual support = 0.78: HG12 ILE 38 - HN VAL 40 12.500% * 40.4647% (0.61 1.85 1.07) = 40.465% kept HB ILE 14 - HN VAL 40 12.500% * 31.8971% (1.00 0.89 0.82) = 31.897% kept HB2 LYS+ 55 - HN VAL 40 12.500% * 19.5126% (0.61 0.89 0.39) = 19.513% kept HB2 ARG+ 48 - HN VAL 40 12.500% * 6.6713% (0.73 0.26 0.15) = 6.671% kept HB3 PRO 25 - HN VAL 40 12.500% * 0.7186% (1.00 0.02 0.02) = 0.719% HB VAL 61 - HN VAL 40 12.500% * 0.3789% (0.53 0.02 0.02) = 0.379% HB ILE 95 - HN VAL 40 12.500% * 0.2457% (0.34 0.02 0.02) = 0.246% HB2 GLU- 23 - HN VAL 40 12.500% * 0.1111% (0.15 0.02 0.02) = 0.111% Peak 1102 (1.18, 9.11, 112.56 ppm): 7 chemical-shift based assignments, quality = 0.696, support = 2.96, residual support = 14.0: QG2 THR 39 - HN VAL 40 14.286% * 71.7085% (0.80 3.48 17.36) = 71.708% kept QE MET 54 - HN VAL 40 14.286% * 21.7804% (0.41 2.06 6.95) = 21.780% kept HD3 LYS+ 56 - HN VAL 40 14.286% * 2.3152% (0.99 0.09 0.02) = 2.315% kept HG3 ARG+ 48 - HN VAL 40 14.286% * 2.2071% (0.20 0.43 0.15) = 2.207% kept HB3 LEU 43 - HN VAL 40 14.286% * 1.4303% (0.34 0.16 0.02) = 1.430% kept QG2 THR 4 - HN VAL 40 14.286% * 0.4301% (0.84 0.02 0.02) = 0.430% HG3 GLU- 23 - HN VAL 40 14.286% * 0.1284% (0.25 0.02 0.02) = 0.128% Peak 1103 (0.98, 9.11, 112.56 ppm): 10 chemical-shift based assignments, quality = 0.539, support = 2.86, residual support = 18.4: QG1 VAL 40 - HN VAL 40 10.000% * 34.3632% (0.53 4.78 46.74) = 34.363% kept QG2 THR 64 - HN VAL 40 10.000% * 16.8171% (0.80 1.54 3.21) = 16.817% kept QG2 VAL 52 - HN VAL 40 10.000% * 13.2851% (0.28 3.50 12.21) = 13.285% kept QG2 ILE 14 - HN VAL 40 10.000% * 13.1044% (0.65 1.48 0.82) = 13.104% kept QD1 ILE 38 - HN VAL 40 10.000% * 10.5401% (0.34 2.26 1.07) = 10.540% kept HG3 LYS+ 56 - HN VAL 40 10.000% * 5.7549% (0.61 0.69 0.02) = 5.755% kept HG LEU 76 - HN VAL 40 10.000% * 3.2030% (0.53 0.45 0.02) = 3.203% kept HB3 ARG+ 48 - HN VAL 40 10.000% * 1.7698% (0.22 0.58 0.15) = 1.770% kept QG2 ILE 85 - HN VAL 40 10.000% * 1.0398% (0.98 0.08 0.15) = 1.040% kept QD2 LEU 82 - HN VAL 40 10.000% * 0.1226% (0.45 0.02 0.02) = 0.123% Peak 1104 (0.83, 9.11, 112.56 ppm): 6 chemical-shift based assignments, quality = 0.568, support = 2.74, residual support = 25.4: QG2 VAL 40 - HN VAL 40 16.667% * 53.6370% (0.25 4.38 46.74) = 53.637% kept QD1 ILE 14 - HN VAL 40 16.667% * 42.6381% (0.97 0.90 0.82) = 42.638% kept HG13 ILE 24 - HN VAL 40 16.667% * 3.1399% (0.73 0.09 0.02) = 3.140% kept HG LEU 22 - HN VAL 40 16.667% * 0.2187% (0.22 0.02 0.02) = 0.219% HB2 LEU 76 - HN VAL 40 16.667% * 0.1944% (0.20 0.02 0.02) = 0.194% QG2 VAL 61 - HN VAL 40 16.667% * 0.1720% (0.18 0.02 0.02) = 0.172% Peak 1105 (8.94, 9.57, 122.27 ppm): 3 chemical-shift based assignments, quality = 0.831, support = 4.92, residual support = 28.7: T HN ASP- 41 - HN LEU 42 33.333% * 98.6586% (0.84 10.00 4.98 29.05) = 98.659% kept HN VAL 65 - HN LEU 42 33.333% * 1.1076% (0.65 1.00 0.29 0.02) = 1.108% kept T HN GLU- 16 - HN LEU 42 33.333% * 0.2337% (0.20 10.00 0.02 0.02) = 0.234% Peak 1106 (5.74, 9.57, 122.27 ppm): 1 chemical-shift based assignment, quality = 0.448, support = 4.95, residual support = 29.0: O HA ASP- 41 - HN LEU 42 100.000% *100.0000% (0.45 10.0 4.95 29.05) = 100.000% kept Peak 1107 (5.39, 9.57, 122.27 ppm): 2 chemical-shift based assignments, quality = 0.744, support = 8.08, residual support = 131.5: O HA LEU 42 - HN LEU 42 50.000% * 76.0474% (0.73 10.0 8.83 171.06) = 76.047% kept HA THR 91 - HN LEU 42 50.000% * 23.9526% (0.80 1.0 5.71 5.99) = 23.953% kept Peak 1108 (3.45, 9.57, 122.27 ppm): 4 chemical-shift based assignments, quality = 0.381, support = 1.03, residual support = 1.91: HA ILE 24 - HN LEU 42 25.000% * 67.7661% (0.41 1.14 1.65) = 67.766% kept HD2 ARG+ 90 - HN LEU 42 25.000% * 26.9306% (0.20 0.94 2.92) = 26.931% kept HB2 TRP 67 - HN LEU 42 25.000% * 2.8867% (1.00 0.02 0.02) = 2.887% kept HB2 TRP 50 - HN LEU 42 25.000% * 2.4166% (0.84 0.02 0.19) = 2.417% kept Peak 1109 (3.26, 9.57, 122.27 ppm): 1 chemical-shift based assignment, quality = 0.249, support = 0.828, residual support = 0.828: HD2 ARG+ 88 - HN LEU 42 100.000% *100.0000% (0.25 0.83 0.83) = 100.000% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1110 (2.58, 9.57, 122.27 ppm): 7 chemical-shift based assignments, quality = 0.752, support = 0.718, residual support = 0.377: HE2 LYS+ 56 - HN LEU 42 14.286% * 47.6434% (0.80 0.90 0.55) = 47.643% kept HB3 TYR 81 - HN LEU 42 14.286% * 26.4579% (0.53 0.76 0.34) = 26.458% kept HB3 PHE 13 - HN LEU 42 14.286% * 23.9454% (0.97 0.37 0.11) = 23.945% kept HG3 MET 1 - HN LEU 42 14.286% * 0.7505% (0.57 0.02 0.02) = 0.751% HD3 PRO 35 - HN LEU 42 14.286% * 0.6453% (0.49 0.02 0.02) = 0.645% HB3 ASN 100 - HN LEU 42 14.286% * 0.2951% (0.22 0.02 0.02) = 0.295% HG3 MET 10 - HN LEU 42 14.286% * 0.2623% (0.20 0.02 0.02) = 0.262% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1111 (2.17, 9.57, 122.27 ppm): 6 chemical-shift based assignments, quality = 0.319, support = 6.12, residual support = 158.8: O HB2 LEU 42 - HN LEU 42 16.667% * 92.8252% (0.28 10.0 6.56 171.06) = 92.825% kept HB2 LEU 82 - HN LEU 42 16.667% * 6.4150% (0.95 1.0 0.41 0.21) = 6.415% kept HB2 PHE 84 - HN LEU 42 16.667% * 0.3272% (0.98 1.0 0.02 0.02) = 0.327% HB2 GLU- 59 - HN LEU 42 16.667% * 0.2551% (0.76 1.0 0.02 0.02) = 0.255% QG GLN 8 - HN LEU 42 16.667% * 0.1030% (0.31 1.0 0.02 0.02) = 0.103% QB GLU- 68 - HN LEU 42 16.667% * 0.0743% (0.22 1.0 0.02 0.02) = 0.074% Peak 1112 (1.80, 9.57, 122.27 ppm): 9 chemical-shift based assignments, quality = 0.861, support = 5.46, residual support = 146.1: HG LEU 42 - HN LEU 42 11.111% * 85.3320% (0.95 6.16 171.06) = 85.332% kept HB ILE 24 - HN LEU 42 11.111% * 10.5954% (0.45 1.61 1.65) = 10.595% kept HD3 PRO 25 - HN LEU 42 11.111% * 3.1182% (0.20 1.08 0.02) = 3.118% kept HB3 LYS+ 17 - HN LEU 42 11.111% * 0.2773% (0.95 0.02 0.02) = 0.277% HG2 ARG+ 53 - HN LEU 42 11.111% * 0.2706% (0.92 0.02 2.89) = 0.271% HG LEU 82 - HN LEU 42 11.111% * 0.1314% (0.45 0.02 0.21) = 0.131% HD2 LYS+ 55 - HN LEU 42 11.111% * 0.1205% (0.41 0.02 0.21) = 0.121% HG3 ARG+ 53 - HN LEU 42 11.111% * 0.0815% (0.28 0.02 2.89) = 0.081% HB3 LYS+ 20 - HN LEU 42 11.111% * 0.0731% (0.25 0.02 0.02) = 0.073% Peak 1113 (1.21, 9.57, 122.27 ppm): 7 chemical-shift based assignments, quality = 0.888, support = 6.14, residual support = 165.0: O HB3 LEU 42 - HN LEU 42 14.286% * 96.4448% (0.90 10.0 6.36 171.06) = 96.445% kept HG3 GLU- 23 - HN LEU 42 14.286% * 2.3828% (0.97 1.0 0.46 0.02) = 2.383% kept QE MET 54 - HN LEU 42 14.286% * 0.5973% (0.84 1.0 0.13 0.26) = 0.597% QG1 VAL 65 - HN LEU 42 14.286% * 0.4423% (0.73 1.0 0.11 0.02) = 0.442% QG2 THR 39 - HN LEU 42 14.286% * 0.0482% (0.45 1.0 0.02 0.02) = 0.048% QG2 THR 4 - HN LEU 42 14.286% * 0.0442% (0.41 1.0 0.02 0.02) = 0.044% HB3 LYS+ 56 - HN LEU 42 14.286% * 0.0404% (0.38 1.0 0.02 0.55) = 0.040% Peak 1114 (0.61, 9.57, 122.27 ppm): 3 chemical-shift based assignments, quality = 0.539, support = 5.42, residual support = 133.0: QD1 LEU 42 - HN LEU 42 33.333% * 77.5397% (0.49 6.62 171.06) = 77.540% kept QG2 ILE 24 - HN LEU 42 33.333% * 22.2625% (0.73 1.27 1.65) = 22.263% kept QD1 ILE 96 - HN LEU 42 33.333% * 0.1978% (0.41 0.02 0.02) = 0.198% Peak 1115 (0.99, 9.57, 122.27 ppm): 7 chemical-shift based assignments, quality = 0.891, support = 1.8, residual support = 2.03: QG1 VAL 40 - HN LEU 42 14.286% * 51.4661% (0.98 2.53 1.52) = 51.466% kept HG LEU 76 - HN LEU 42 14.286% * 25.5834% (0.98 1.26 4.45) = 25.583% kept HG3 LYS+ 56 - HN LEU 42 14.286% * 5.8162% (0.15 1.82 0.55) = 5.816% kept QG2 THR 64 - HN LEU 42 14.286% * 5.6181% (0.97 0.28 0.02) = 5.618% kept QG2 ILE 85 - HN LEU 42 14.286% * 4.9855% (0.76 0.31 1.59) = 4.985% kept QD1 ILE 38 - HN LEU 42 14.286% * 3.2907% (0.87 0.18 0.02) = 3.291% kept QG2 ILE 14 - HN LEU 42 14.286% * 3.2400% (0.18 0.89 0.02) = 3.240% kept Peak 1116 (0.81, 9.57, 122.27 ppm): 6 chemical-shift based assignments, quality = 0.831, support = 0.785, residual support = 1.65: HG13 ILE 24 - HN LEU 42 16.667% * 55.7444% (0.98 1.06 1.65) = 55.744% kept QG2 VAL 61 - HN LEU 42 16.667% * 20.3099% (0.69 0.55 0.12) = 20.310% kept HB2 LEU 76 - HN LEU 42 16.667% * 15.7077% (0.73 0.40 4.45) = 15.708% kept QD1 ILE 14 - HN LEU 42 16.667% * 6.8934% (0.45 0.29 0.02) = 6.893% kept HG LEU 22 - HN LEU 42 16.667% * 0.8214% (0.76 0.02 4.50) = 0.821% QG2 ILE 96 - HN LEU 42 16.667% * 0.5232% (0.49 0.02 0.02) = 0.523% Peak 1117 (6.99, 9.57, 122.27 ppm): 2 chemical-shift based assignments, quality = 0.989, support = 1.46, residual support = 2.9: HE ARG+ 90 - HN LEU 42 50.000% * 99.1246% (1.00 1.47 2.92) = 99.125% kept HN PHE 70 - HN LEU 42 50.000% * 0.8754% (0.65 0.02 0.02) = 0.875% Peak 1118 (7.13, 9.57, 122.27 ppm): 1 chemical-shift based assignment, quality = 0.687, support = 0.652, residual support = 2.43: HN PHE 32 - HN LEU 42 100.000% *100.0000% (0.69 0.65 2.43) = 100.000% kept Peak 1119 (8.58, 9.28, 124.59 ppm): 2 chemical-shift based assignments, quality = 0.566, support = 6.3, residual support = 32.5: T HN VAL 94 - HN LEU 43 50.000% * 99.9728% (0.57 10.00 6.31 32.51) = 99.973% kept HN PHE 9 - HN LEU 43 50.000% * 0.0272% (0.15 1.00 0.02 0.02) = 0.027% Peak 1120 (8.02, 9.28, 124.59 ppm): 7 chemical-shift based assignments, quality = 0.476, support = 3.15, residual support = 12.4: T HN ASP- 44 - HN LEU 43 14.286% * 62.1313% (0.38 10.00 3.31 15.66) = 62.131% kept HN PHE 28 - HN LEU 43 14.286% * 22.0307% (0.80 1.00 3.32 7.44) = 22.031% kept HN ASP- 87 - HN LEU 43 14.286% * 8.6545% (0.49 1.00 2.15 6.06) = 8.654% kept HN ARG+ 48 - HN LEU 43 14.286% * 6.9804% (0.35 1.00 2.42 7.06) = 6.980% kept HN LEU 26 - HN LEU 43 14.286% * 0.1202% (0.73 1.00 0.02 0.02) = 0.120% HD21 ASN 69 - HN LEU 43 14.286% * 0.0460% (0.28 1.00 0.02 0.02) = 0.046% HN SER 18 - HN LEU 43 14.286% * 0.0369% (0.22 1.00 0.02 0.02) = 0.037% Peak 1121 (6.76, 9.28, 124.59 ppm): 1 chemical-shift based assignment, quality = 0.198, support = 0.265, residual support = 0.465: HN ASN 74 - HN LEU 43 100.000% *100.0000% (0.20 0.26 0.47) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1122 (5.62, 9.28, 124.59 ppm): 1 chemical-shift based assignment, quality = 0.946, support = 5.42, residual support = 123.9: O HA LEU 43 - HN LEU 43 100.000% *100.0000% (0.95 10.0 5.42 123.88) = 100.000% kept Peak 1123 (5.36, 9.28, 124.59 ppm): 2 chemical-shift based assignments, quality = 0.475, support = 5.77, residual support = 37.5: O HA LEU 42 - HN LEU 43 50.000% * 84.8461% (0.49 10.0 6.05 42.74) = 84.846% kept HA THR 91 - HN LEU 43 50.000% * 15.1539% (0.41 1.0 4.23 8.25) = 15.154% kept Peak 1124 (5.11, 9.28, 124.59 ppm): 4 chemical-shift based assignments, quality = 0.64, support = 1.06, residual support = 1.57: HA GLN 83 - HN LEU 43 25.000% * 86.6246% (0.69 1.16 1.37) = 86.625% kept HA LYS+ 56 - HN LEU 43 25.000% * 10.9479% (0.22 0.45 3.51) = 10.948% kept HA VAL 40 - HN LEU 43 25.000% * 2.0929% (0.97 0.02 0.02) = 2.093% kept HA1 GLY 66 - HN LEU 43 25.000% * 0.3346% (0.15 0.02 0.02) = 0.335% Peak 1125 (2.78, 9.28, 124.59 ppm): 5 chemical-shift based assignments, quality = 0.597, support = 1.65, residual support = 4.01: HB3 TYR 93 - HN LEU 43 20.000% * 37.9180% (0.65 2.16 4.95) = 37.918% kept HB2 TYR 81 - HN LEU 43 20.000% * 22.4520% (0.49 1.70 1.75) = 22.452% kept HB3 PHE 28 - HN LEU 43 20.000% * 18.1828% (0.69 0.97 7.44) = 18.183% kept HB2 ASP- 73 - HN LEU 43 20.000% * 11.8828% (0.87 0.50 0.46) = 11.883% kept HB3 PHE 92 - HN LEU 43 20.000% * 9.5645% (0.15 2.28 3.43) = 9.564% kept Peak 1126 (2.17, 9.28, 124.59 ppm): 6 chemical-shift based assignments, quality = 0.743, support = 3.1, residual support = 18.1: HB2 LEU 82 - HN LEU 43 16.667% * 64.4437% (0.95 2.78 8.35) = 64.444% kept HB2 LEU 42 - HN LEU 43 16.667% * 29.7488% (0.28 4.36 42.74) = 29.749% kept HB2 PHE 84 - HN LEU 43 16.667% * 5.1721% (0.98 0.22 0.02) = 5.172% kept HB2 GLU- 59 - HN LEU 43 16.667% * 0.3748% (0.76 0.02 0.02) = 0.375% QG GLN 8 - HN LEU 43 16.667% * 0.1514% (0.31 0.02 2.91) = 0.151% QB GLU- 68 - HN LEU 43 16.667% * 0.1092% (0.22 0.02 0.02) = 0.109% Peak 1127 (0.24, 9.28, 124.59 ppm): 2 chemical-shift based assignments, quality = 0.566, support = 4.5, residual support = 24.7: QG2 VAL 94 - HN LEU 43 50.000% * 74.9192% (0.57 5.40 32.51) = 74.919% kept QD1 LEU 22 - HN LEU 43 50.000% * 25.0808% (0.57 1.81 1.53) = 25.081% kept Peak 1128 (0.68, 9.28, 124.59 ppm): 1 chemical-shift based assignment, quality = 0.526, support = 3.62, residual support = 42.7: QD2 LEU 42 - HN LEU 43 100.000% *100.0000% (0.53 3.62 42.74) = 100.000% kept Peak 1129 (0.93, 9.28, 124.59 ppm): 5 chemical-shift based assignments, quality = 0.264, support = 2.64, residual support = 5.46: QD2 LEU 82 - HN LEU 43 20.000% * 56.4448% (0.22 3.83 8.35) = 56.445% kept QG2 VAL 52 - HN LEU 43 20.000% * 25.9845% (0.38 1.05 0.24) = 25.984% kept HG3 LYS+ 56 - HN LEU 43 20.000% * 13.3537% (0.14 1.49 3.51) = 13.354% kept HB3 ARG+ 48 - HN LEU 43 20.000% * 3.1576% (0.45 0.11 7.06) = 3.158% kept QD1 LEU 26 - HN LEU 43 20.000% * 1.0594% (0.80 0.02 0.02) = 1.059% kept Peak 1130 (1.18, 9.28, 124.59 ppm): 7 chemical-shift based assignments, quality = 0.385, support = 4.61, residual support = 103.4: O HB3 LEU 43 - HN LEU 43 14.286% * 82.8200% (0.34 10.0 5.31 123.88) = 82.820% kept QE MET 54 - HN LEU 43 14.286% * 9.2469% (0.41 1.0 1.85 6.40) = 9.247% kept HD3 LYS+ 56 - HN LEU 43 14.286% * 6.5441% (0.99 1.0 0.54 3.51) = 6.544% kept HG3 ARG+ 48 - HN LEU 43 14.286% * 0.9312% (0.20 1.0 0.39 7.06) = 0.931% QG2 THR 4 - HN LEU 43 14.286% * 0.2028% (0.84 1.0 0.02 0.02) = 0.203% QG2 THR 39 - HN LEU 43 14.286% * 0.1944% (0.80 1.0 0.02 0.02) = 0.194% HG3 GLU- 23 - HN LEU 43 14.286% * 0.0605% (0.25 1.0 0.02 0.02) = 0.061% Peak 1131 (1.63, 9.28, 124.59 ppm): 5 chemical-shift based assignments, quality = 0.812, support = 4.32, residual support = 88.4: HG LEU 43 - HN LEU 43 20.000% * 63.0584% (0.87 5.31 123.88) = 63.058% kept HB VAL 94 - HN LEU 43 20.000% * 31.2986% (0.76 2.99 32.51) = 31.299% kept HB2 LYS+ 56 - HN LEU 43 20.000% * 3.2312% (0.28 0.85 3.51) = 3.231% kept HB ILE 96 - HN LEU 43 20.000% * 2.3576% (0.73 0.24 0.02) = 2.358% kept QB LEU 26 - HN LEU 43 20.000% * 0.0542% (0.20 0.02 0.02) = 0.054% Peak 1132 (8.57, 8.00, 117.81 ppm): 3 chemical-shift based assignments, quality = 0.961, support = 2.6, residual support = 2.8: HN VAL 94 - HN ASP- 44 33.333% * 93.0219% (0.99 2.78 3.01) = 93.022% kept HN PHE 9 - HN ASP- 44 33.333% * 4.8515% (0.61 0.24 0.02) = 4.851% kept HN ASP- 73 - HN ASP- 44 33.333% * 2.1267% (0.45 0.14 0.02) = 2.127% kept Peak 1133 (9.29, 8.00, 117.81 ppm): 1 chemical-shift based assignment, quality = 0.764, support = 3.31, residual support = 15.7: T HN LEU 43 - HN ASP- 44 100.000% *100.0000% (0.76 10.00 3.31 15.66) = 100.000% kept Peak 1134 (9.74, 8.00, 117.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1135 (6.99, 8.00, 117.81 ppm): 2 chemical-shift based assignments, quality = 0.813, support = 0.0659, residual support = 0.02: T HN PHE 70 - HN ASP- 44 50.000% * 52.6134% (0.65 10.00 0.02 0.02) = 52.613% kept HE ARG+ 90 - HN ASP- 44 50.000% * 47.3866% (1.00 1.00 0.12 0.02) = 47.387% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1136 (6.82, 8.00, 117.81 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 0.117, residual support = 0.117: HE22 GLN 83 - HN ASP- 44 100.000% *100.0000% (0.92 0.12 0.12) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1137 (6.64, 8.00, 117.81 ppm): 1 chemical-shift based assignment, quality = 0.647, support = 0.474, residual support = 0.474: HE22 GLN 8 - HN ASP- 44 100.000% *100.0000% (0.65 0.47 0.47) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1138 (5.61, 8.00, 117.81 ppm): 1 chemical-shift based assignment, quality = 0.411, support = 4.24, residual support = 15.7: O HA LEU 43 - HN ASP- 44 100.000% *100.0000% (0.41 10.0 4.24 15.66) = 100.000% kept Peak 1139 (5.36, 8.00, 117.81 ppm): 2 chemical-shift based assignments, quality = 0.476, support = 2.49, residual support = 1.85: HA LEU 42 - HN ASP- 44 50.000% * 85.5793% (0.49 2.82 2.13) = 85.579% kept HA THR 91 - HN ASP- 44 50.000% * 14.4207% (0.41 0.56 0.14) = 14.421% kept Peak 1140 (3.61, 8.00, 117.81 ppm): 2 chemical-shift based assignments, quality = 0.372, support = 0.02, residual support = 0.02: HD2 PRO 37 - HN ASP- 44 50.000% * 71.9100% (0.45 0.02 0.02) = 71.910% kept HA2 GLY 58 - HN ASP- 44 50.000% * 28.0900% (0.18 0.02 0.02) = 28.090% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1141 (3.51, 8.00, 117.81 ppm): 5 chemical-shift based assignments, quality = 0.47, support = 0.701, residual support = 0.0776: QB SER 49 - HN ASP- 44 20.000% * 30.0843% (0.28 1.29 0.21) = 30.084% kept HA GLU- 23 - HN ASP- 44 20.000% * 25.9401% (0.73 0.42 0.02) = 25.940% kept HA LEU 76 - HN ASP- 44 20.000% * 19.3299% (0.57 0.41 0.02) = 19.330% kept HD3 PRO 37 - HN ASP- 44 20.000% * 13.5158% (0.22 0.72 0.02) = 13.516% kept HB3 SER 15 - HN ASP- 44 20.000% * 11.1300% (0.53 0.25 0.02) = 11.130% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1142 (2.87, 8.00, 117.81 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 0.112, residual support = 0.112: HB2 ASN 75 - HN ASP- 44 100.000% *100.0000% (0.98 0.11 0.11) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1143 (1.63, 8.00, 117.81 ppm): 5 chemical-shift based assignments, quality = 0.837, support = 3.68, residual support = 12.4: HG LEU 43 - HN ASP- 44 20.000% * 74.1409% (0.87 4.38 15.66) = 74.141% kept HB VAL 94 - HN ASP- 44 20.000% * 25.3903% (0.76 1.70 3.01) = 25.390% kept HB ILE 96 - HN ASP- 44 20.000% * 0.2832% (0.73 0.02 0.02) = 0.283% HB2 LYS+ 56 - HN ASP- 44 20.000% * 0.1084% (0.28 0.02 0.02) = 0.108% QB LEU 26 - HN ASP- 44 20.000% * 0.0772% (0.20 0.02 0.02) = 0.077% Peak 1144 (1.14, 8.00, 117.81 ppm): 6 chemical-shift based assignments, quality = 0.363, support = 3.29, residual support = 12.3: HB3 LEU 43 - HN ASP- 44 16.667% * 78.3247% (0.31 4.13 15.66) = 78.325% kept QG2 ILE 38 - HN ASP- 44 16.667% * 9.0647% (0.65 0.23 0.02) = 9.065% kept HG13 ILE 95 - HN ASP- 44 16.667% * 7.3313% (0.34 0.35 0.02) = 7.331% kept HG3 ARG+ 48 - HN ASP- 44 16.667% * 2.8729% (0.49 0.10 0.02) = 2.873% kept QG2 VAL 65 - HN ASP- 44 16.667% * 1.2032% (0.98 0.02 0.02) = 1.203% kept HG3 ARG+ 88 - HN ASP- 44 16.667% * 1.2032% (0.98 0.02 0.02) = 1.203% kept Peak 1145 (0.83, 8.00, 117.81 ppm): 6 chemical-shift based assignments, quality = 0.768, support = 0.822, residual support = 0.344: QD1 ILE 14 - HN ASP- 44 16.667% * 70.2330% (0.97 0.95 0.48) = 70.233% kept QG2 VAL 61 - HN ASP- 44 16.667% * 10.0104% (0.18 0.75 0.02) = 10.010% kept HB2 LEU 76 - HN ASP- 44 16.667% * 9.6587% (0.20 0.64 0.02) = 9.659% kept HG13 ILE 24 - HN ASP- 44 16.667% * 6.3461% (0.73 0.11 0.02) = 6.346% kept HG LEU 22 - HN ASP- 44 16.667% * 3.3717% (0.22 0.20 0.02) = 3.372% kept QG2 VAL 40 - HN ASP- 44 16.667% * 0.3801% (0.25 0.02 0.02) = 0.380% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1146 (8.05, 8.48, 117.22 ppm): 6 chemical-shift based assignments, quality = 0.507, support = 0.537, residual support = 0.527: HN ARG+ 48 - HN SER 46 16.667% * 37.1841% (0.82 1.00 0.47 0.02) = 37.184% kept T HN ASP- 89 - HN SER 46 16.667% * 22.9729% (0.20 10.00 0.12 0.02) = 22.973% kept HN LEU 22 - HN SER 46 16.667% * 20.5496% (0.14 1.00 1.59 2.49) = 20.550% kept T HN ASP- 87 - HN SER 46 16.667% * 13.8850% (0.73 10.00 0.02 0.02) = 13.885% kept HN MET 54 - HN SER 46 16.667% * 4.6222% (0.61 1.00 0.08 0.02) = 4.622% kept HN PHE 28 - HN SER 46 16.667% * 0.7861% (0.41 1.00 0.02 0.02) = 0.786% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1147 (4.60, 8.48, 117.22 ppm): 1 chemical-shift based assignment, quality = 0.946, support = 0.02, residual support = 0.02: HA1 GLY 79 - HN SER 46 100.000% *100.0000% (0.95 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1148 (4.01, 8.48, 117.22 ppm): 6 chemical-shift based assignments, quality = 0.777, support = 0.0537, residual support = 0.02: HA LYS+ 72 - HN SER 46 16.667% * 53.0301% (0.80 0.08 0.02) = 53.030% kept HA1 GLY 5 - HN SER 46 16.667% * 15.7141% (0.99 0.02 0.02) = 15.714% kept HA1 GLY 58 - HN SER 46 16.667% * 12.6952% (0.80 0.02 0.02) = 12.695% kept HB2 SER 15 - HN SER 46 16.667% * 10.8905% (0.69 0.02 0.02) = 10.891% kept HA2 GLY 66 - HN SER 46 16.667% * 4.8934% (0.31 0.02 0.02) = 4.893% kept HA2 GLY 98 - HN SER 46 16.667% * 2.7766% (0.18 0.02 0.02) = 2.777% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1149 (3.79, 8.48, 117.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1150 (8.06, 7.26, 112.16 ppm): 5 chemical-shift based assignments, quality = 0.913, support = 5.28, residual support = 31.3: HN ARG+ 48 - HN SER 49 20.000% * 67.5264% (0.97 7.13 46.19) = 67.526% kept HN MET 54 - HN SER 49 20.000% * 15.6733% (1.00 1.61 0.28) = 15.673% kept HN ASP- 89 - HN SER 49 20.000% * 8.3483% (0.69 1.24 0.15) = 8.348% kept HN LEU 22 - HN SER 49 20.000% * 7.7520% (0.57 1.40 0.14) = 7.752% kept HN ASP- 87 - HN SER 49 20.000% * 0.7000% (0.22 0.32 0.02) = 0.700% Peak 1151 (6.85, 7.26, 112.16 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 0.02, residual support = 0.02: HE22 GLN 83 - HN SER 49 100.000% *100.0000% (0.28 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1152 (5.68, 7.26, 112.16 ppm): 1 chemical-shift based assignment, quality = 0.375, support = 3.73, residual support = 16.4: O HA SER 49 - HN SER 49 100.000% *100.0000% (0.38 10.0 3.73 16.39) = 100.000% kept Peak 1153 (4.41, 7.26, 112.16 ppm): 3 chemical-shift based assignments, quality = 0.631, support = 0.343, residual support = 0.331: HA ASN 29 - HN SER 49 33.333% * 95.8401% (0.65 0.36 0.34) = 95.840% kept HA1 GLY 98 - HN SER 49 33.333% * 2.3101% (0.28 0.02 0.02) = 2.310% kept HA TRP 67 - HN SER 49 33.333% * 1.8498% (0.22 0.02 0.02) = 1.850% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1154 (4.04, 7.26, 112.16 ppm): 4 chemical-shift based assignments, quality = 0.291, support = 5.69, residual support = 43.4: O HA ARG+ 48 - HN SER 49 25.000% * 93.9050% (0.25 10.0 6.05 46.19) = 93.905% kept HA2 GLY 98 - HN SER 49 25.000% * 3.3109% (0.99 1.0 0.18 0.02) = 3.311% kept HA2 GLY 66 - HN SER 49 25.000% * 2.6292% (0.90 1.0 0.16 0.02) = 2.629% kept HA1 GLY 58 - HN SER 49 25.000% * 0.1548% (0.41 1.0 0.02 0.02) = 0.155% Peak 1155 (3.51, 7.26, 112.16 ppm): 5 chemical-shift based assignments, quality = 0.365, support = 3.53, residual support = 13.4: O QB SER 49 - HN SER 49 20.000% * 79.3496% (0.28 10.0 4.02 16.39) = 79.350% kept HA GLU- 23 - HN SER 49 20.000% * 18.4909% (0.73 1.0 1.78 1.90) = 18.491% kept HB3 SER 15 - HN SER 49 20.000% * 1.9344% (0.53 1.0 0.26 0.44) = 1.934% kept HA LEU 76 - HN SER 49 20.000% * 0.1616% (0.57 1.0 0.02 0.02) = 0.162% HD3 PRO 37 - HN SER 49 20.000% * 0.0635% (0.22 1.0 0.02 0.02) = 0.064% Peak 1156 (2.94, 7.26, 112.16 ppm): 8 chemical-shift based assignments, quality = 0.426, support = 3.21, residual support = 21.9: HD3 ARG+ 48 - HN SER 49 12.500% * 44.5983% (0.28 6.07 46.19) = 44.598% kept HE3 LYS+ 60 - HN SER 49 12.500% * 18.5087% (0.49 1.44 5.60) = 18.509% kept QE LYS+ 17 - HN SER 49 12.500% * 15.6541% (0.73 0.82 1.42) = 15.654% kept QB ASN 29 - HN SER 49 12.500% * 9.6541% (0.49 0.75 0.34) = 9.654% kept HB2 ASP- 89 - HN SER 49 12.500% * 6.2043% (0.57 0.41 0.15) = 6.204% kept HD3 ARG+ 88 - HN SER 49 12.500% * 2.8003% (0.22 0.48 0.02) = 2.800% kept QE LYS+ 55 - HN SER 49 12.500% * 2.1385% (0.45 0.18 0.02) = 2.139% kept HB3 PHE 9 - HN SER 49 12.500% * 0.4418% (0.84 0.02 0.02) = 0.442% Peak 1157 (1.70, 7.26, 112.16 ppm): 8 chemical-shift based assignments, quality = 0.904, support = 1.69, residual support = 2.96: QD LYS+ 60 - HN SER 49 12.500% * 39.7355% (1.00 2.17 5.60) = 39.736% kept HG LEU 26 - HN SER 49 12.500% * 34.2730% (0.98 1.91 1.49) = 34.273% kept HB2 GLU- 23 - HN SER 49 12.500% * 11.8606% (0.61 1.07 1.90) = 11.861% kept HG2 PRO 25 - HN SER 49 12.500% * 5.2929% (0.53 0.55 0.02) = 5.293% kept QB GLU- 30 - HN SER 49 12.500% * 4.9906% (0.87 0.31 0.02) = 4.991% kept HD3 LYS+ 55 - HN SER 49 12.500% * 3.0542% (0.92 0.18 0.02) = 3.054% kept HB3 LYS+ 55 - HN SER 49 12.500% * 0.7366% (0.22 0.18 0.02) = 0.737% HG12 ILE 38 - HN SER 49 12.500% * 0.0566% (0.15 0.02 0.02) = 0.057% Peak 1158 (1.48, 7.26, 112.16 ppm): 6 chemical-shift based assignments, quality = 0.888, support = 4.82, residual support = 32.7: HG2 ARG+ 48 - HN SER 49 16.667% * 69.8801% (0.97 6.36 46.19) = 69.880% kept HB3 GLU- 23 - HN SER 49 16.667% * 11.7639% (0.73 1.42 1.90) = 11.764% kept HG3 LYS+ 17 - HN SER 49 16.667% * 11.3718% (0.65 1.54 1.42) = 11.372% kept HG12 ILE 95 - HN SER 49 16.667% * 4.3890% (0.73 0.53 0.02) = 4.389% kept HB3 PHE 84 - HN SER 49 16.667% * 2.4931% (0.92 0.24 0.02) = 2.493% kept HG3 LYS+ 72 - HN SER 49 16.667% * 0.1021% (0.45 0.02 0.02) = 0.102% Peak 1159 (1.12, 7.26, 112.16 ppm): 6 chemical-shift based assignments, quality = 0.543, support = 0.375, residual support = 0.793: HG13 ILE 14 - HN SER 49 16.667% * 45.2734% (0.53 0.47 1.73) = 45.273% kept HG12 ILE 24 - HN SER 49 16.667% * 34.1718% (0.41 0.45 0.02) = 34.172% kept HG3 ARG+ 88 - HN SER 49 16.667% * 11.6968% (0.76 0.08 0.02) = 11.697% kept QG2 ILE 38 - HN SER 49 16.667% * 3.7008% (1.00 0.02 0.02) = 3.701% kept HG13 ILE 95 - HN SER 49 16.667% * 3.2102% (0.87 0.02 0.02) = 3.210% kept QG2 VAL 65 - HN SER 49 16.667% * 1.9471% (0.53 0.02 0.02) = 1.947% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1160 (0.92, 7.26, 112.16 ppm): 3 chemical-shift based assignments, quality = 0.783, support = 0.983, residual support = 1.44: QD1 LEU 26 - HN SER 49 33.333% * 63.4752% (0.95 1.02 1.49) = 63.475% kept QD2 LEU 26 - HN SER 49 33.333% * 33.4853% (0.53 0.97 1.49) = 33.485% kept QD1 ILE 85 - HN SER 49 33.333% * 3.0395% (0.20 0.23 0.02) = 3.040% kept Peak 1161 (8.12, 9.70, 126.28 ppm): 1 chemical-shift based assignment, quality = 0.377, support = 2.43, residual support = 4.85: HN ARG+ 48 - HN TRP 50 100.000% *100.0000% (0.38 2.43 4.85) = 100.000% kept Peak 1162 (5.68, 9.70, 126.28 ppm): 1 chemical-shift based assignment, quality = 0.375, support = 2.99, residual support = 15.7: O HA SER 49 - HN TRP 50 100.000% *100.0000% (0.38 10.0 2.99 15.65) = 100.000% kept Peak 1163 (4.84, 9.70, 126.28 ppm): 1 chemical-shift based assignment, quality = 0.566, support = 2.9, residual support = 21.2: O HA TRP 50 - HN TRP 50 100.000% *100.0000% (0.57 10.0 2.90 21.16) = 100.000% kept Peak 1164 (3.49, 9.70, 126.28 ppm): 1 chemical-shift based assignment, quality = 0.198, support = 0.529, residual support = 0.529: HA GLU- 23 - HN TRP 50 100.000% *100.0000% (0.20 0.53 0.53) = 100.000% kept Not enough quality. Peak unassigned. Peak 1165 (0.84, 9.70, 126.28 ppm): 5 chemical-shift based assignments, quality = 0.611, support = 1.43, residual support = 2.31: QD2 LEU 43 - HN TRP 50 20.000% * 47.2301% (0.45 2.26 4.61) = 47.230% kept QG2 VAL 40 - HN TRP 50 20.000% * 28.3946% (0.76 0.80 0.24) = 28.395% kept QD1 ILE 14 - HN TRP 50 20.000% * 22.1824% (0.80 0.59 0.29) = 22.182% kept QD1 ILE 95 - HN TRP 50 20.000% * 1.9849% (0.22 0.19 0.02) = 1.985% kept HG13 ILE 24 - HN TRP 50 20.000% * 0.2080% (0.22 0.02 0.02) = 0.208% Peak 1166 (1.20, 9.70, 126.28 ppm): 7 chemical-shift based assignments, quality = 0.674, support = 0.279, residual support = 0.292: HB3 LEU 42 - HN TRP 50 14.286% * 37.2838% (0.38 0.52 0.19) = 37.284% kept HG3 GLU- 23 - HN TRP 50 14.286% * 28.8877% (0.80 0.19 0.53) = 28.888% kept QG2 THR 39 - HN TRP 50 14.286% * 23.7368% (0.95 0.13 0.02) = 23.737% kept QE MET 54 - HN TRP 50 14.286% * 3.6467% (0.95 0.02 0.02) = 3.647% kept QG2 THR 4 - HN TRP 50 14.286% * 3.5586% (0.92 0.02 1.73) = 3.559% kept HD3 LYS+ 56 - HN TRP 50 14.286% * 2.0282% (0.53 0.02 0.02) = 2.028% kept QG1 VAL 65 - HN TRP 50 14.286% * 0.8583% (0.22 0.02 0.02) = 0.858% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1167 (9.68, 9.01, 122.14 ppm): 1 chemical-shift based assignment, quality = 0.249, support = 4.01, residual support = 14.9: HN TRP 50 - HN THR 51 100.000% *100.0000% (0.25 4.01 14.88) = 100.000% kept Peak 1168 (5.71, 9.01, 122.14 ppm): 1 chemical-shift based assignment, quality = 0.867, support = 1.0, residual support = 1.0: HA SER 49 - HN THR 51 100.000% *100.0000% (0.87 1.00 1.00) = 100.000% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1169 (5.43, 9.01, 122.14 ppm): 2 chemical-shift based assignments, quality = 0.616, support = 4.27, residual support = 25.9: O HA THR 51 - HN THR 51 50.000% * 95.2528% (0.61 10.0 4.45 27.23) = 95.253% kept HA MET 54 - HN THR 51 50.000% * 4.7472% (0.80 1.0 0.76 0.02) = 4.747% kept Peak 1170 (4.81, 9.01, 122.14 ppm): 3 chemical-shift based assignments, quality = 0.715, support = 2.78, residual support = 12.9: O HA TRP 50 - HN THR 51 33.333% * 85.7712% (0.69 10.0 2.92 14.88) = 85.771% kept HA TYR 81 - HN THR 51 33.333% * 12.1670% (1.00 1.0 1.95 0.57) = 12.167% kept HA THR 64 - HN THR 51 33.333% * 2.0618% (0.20 1.0 1.67 1.63) = 2.062% kept Peak 1171 (3.95, 9.01, 122.14 ppm): 4 chemical-shift based assignments, quality = 0.763, support = 3.23, residual support = 27.2: O HB THR 51 - HN THR 51 25.000% * 99.8747% (0.76 10.0 3.23 27.23) = 99.875% kept HB THR 91 - HN THR 51 25.000% * 0.0446% (0.34 1.0 0.02 0.02) = 0.045% HA2 GLY 5 - HN THR 51 25.000% * 0.0403% (0.31 1.0 0.02 0.02) = 0.040% HA1 GLY 27 - HN THR 51 25.000% * 0.0403% (0.31 1.0 0.02 0.02) = 0.040% Peak 1172 (3.45, 9.01, 122.14 ppm): 4 chemical-shift based assignments, quality = 0.855, support = 3.18, residual support = 12.2: HB2 TRP 50 - HN THR 51 25.000% * 81.7812% (0.84 3.75 14.88) = 81.781% kept HB2 TRP 67 - HN THR 51 25.000% * 16.6607% (1.00 0.64 0.02) = 16.661% kept HA ILE 24 - HN THR 51 25.000% * 1.4549% (0.41 0.14 0.02) = 1.455% kept HD2 ARG+ 90 - HN THR 51 25.000% * 0.1032% (0.20 0.02 0.02) = 0.103% Peak 1173 (3.29, 9.01, 122.14 ppm): 1 chemical-shift based assignment, quality = 0.801, support = 0.02, residual support = 0.02: HB2 TYR 86 - HN THR 51 100.000% *100.0000% (0.80 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1174 (1.29, 9.01, 122.14 ppm): 4 chemical-shift based assignments, quality = 0.757, support = 2.45, residual support = 17.0: QG2 THR 51 - HN THR 51 25.000% * 61.7499% (0.65 3.35 27.23) = 61.750% kept QD1 LEU 82 - HN THR 51 25.000% * 31.6135% (0.92 1.20 0.55) = 31.614% kept HB3 LEU 63 - HN THR 51 25.000% * 4.1581% (0.99 0.15 0.02) = 4.158% kept HD2 LYS+ 56 - HN THR 51 25.000% * 2.4784% (1.00 0.09 0.02) = 2.478% kept Peak 1175 (0.95, 9.01, 122.14 ppm): 6 chemical-shift based assignments, quality = 0.888, support = 2.75, residual support = 23.4: QG2 VAL 52 - HN THR 51 16.667% * 76.8550% (0.92 3.42 30.40) = 76.855% kept QD2 LEU 82 - HN THR 51 16.667% * 13.0410% (0.76 0.70 0.55) = 13.041% kept HB3 ARG+ 48 - HN THR 51 16.667% * 5.5696% (0.97 0.24 0.02) = 5.570% kept HG3 LYS+ 56 - HN THR 51 16.667% * 4.1375% (0.61 0.28 0.02) = 4.138% kept QG2 ILE 14 - HN THR 51 16.667% * 0.2755% (0.57 0.02 0.29) = 0.276% QD1 LEU 26 - HN THR 51 16.667% * 0.1214% (0.25 0.02 0.02) = 0.121% Peak 1176 (7.05, 11.64, 132.24 ppm): 1 chemical-shift based assignment, quality = 0.895, support = 0.139, residual support = 0.139: HN LYS+ 17 - HE1 TRP 50 100.000% *100.0000% (0.89 0.14 0.14) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1177 (7.18, 11.64, 132.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1179 (2.69, 11.64, 132.24 ppm): 2 chemical-shift based assignments, quality = 0.717, support = 0.365, residual support = 0.607: QB ASP- 3 - HE1 TRP 50 50.000% * 71.3184% (0.94 0.26 0.74) = 71.318% kept HB3 TYR 97 - HE1 TRP 50 50.000% * 28.6816% (0.15 0.63 0.27) = 28.682% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1180 (4.33, 11.64, 132.24 ppm): 7 chemical-shift based assignments, quality = 0.877, support = 0.724, residual support = 1.27: HA ASP- 73 - HE1 TRP 50 14.286% * 36.9934% (1.00 0.83 0.88) = 36.993% kept HA THR 4 - HE1 TRP 50 14.286% * 33.3554% (0.80 0.93 1.73) = 33.355% kept HB THR 4 - HE1 TRP 50 14.286% * 19.0962% (0.94 0.45 1.73) = 19.096% kept HA ALA 2 - HE1 TRP 50 14.286% * 5.8452% (0.61 0.22 0.68) = 5.845% kept HA ILE 38 - HE1 TRP 50 14.286% * 4.3341% (0.61 0.16 0.02) = 4.334% kept HA ILE 14 - HE1 TRP 50 14.286% * 0.1989% (0.22 0.02 0.29) = 0.199% HA PHE 28 - HE1 TRP 50 14.286% * 0.1768% (0.20 0.02 0.02) = 0.177% Peak 1181 (3.14, 11.64, 132.24 ppm): 5 chemical-shift based assignments, quality = 0.923, support = 0.132, residual support = 2.8: HD2 ARG+ 48 - HE1 TRP 50 20.000% * 57.4374% (0.96 0.17 4.85) = 57.437% kept HB3 TYR 86 - HE1 TRP 50 20.000% * 29.6858% (0.89 0.10 0.02) = 29.686% kept HB2 PHE 13 - HE1 TRP 50 20.000% * 6.7442% (0.99 0.02 0.02) = 6.744% kept QB HIS 99 - HE1 TRP 50 20.000% * 4.9410% (0.72 0.02 0.02) = 4.941% kept HB3 TRP 67 - HE1 TRP 50 20.000% * 1.1917% (0.17 0.02 0.02) = 1.192% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1182 (3.02, 11.64, 132.24 ppm): 7 chemical-shift based assignments, quality = 0.81, support = 0.315, residual support = 0.157: HB2 TYR 97 - HE1 TRP 50 14.286% * 43.0756% (0.87 0.43 0.27) = 43.076% kept HA ARG+ 88 - HE1 TRP 50 14.286% * 22.7395% (0.83 0.24 0.12) = 22.739% kept HB3 ASN 69 - HE1 TRP 50 14.286% * 20.0964% (1.00 0.18 0.02) = 20.096% kept QE LYS+ 72 - HE1 TRP 50 14.286% * 10.5232% (0.25 0.37 0.02) = 10.523% kept QE LYS+ 20 - HE1 TRP 50 14.286% * 1.7545% (0.76 0.02 0.39) = 1.754% kept HE2 LYS+ 60 - HE1 TRP 50 14.286% * 1.2997% (0.56 0.02 0.02) = 1.300% kept QE LYS+ 11 - HE1 TRP 50 14.286% * 0.5111% (0.22 0.02 0.02) = 0.511% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1183 (2.44, 11.64, 132.24 ppm): 2 chemical-shift based assignments, quality = 0.953, support = 0.0957, residual support = 0.02: HA PHE 70 - HE1 TRP 50 50.000% * 83.9092% (0.94 0.11 0.02) = 83.909% kept HB2 PRO 37 - HE1 TRP 50 50.000% * 16.0908% (1.00 0.02 0.02) = 16.091% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1184 (9.14, 9.64, 126.69 ppm): 1 chemical-shift based assignment, quality = 0.198, support = 2.91, residual support = 12.2: T HN VAL 40 - HN VAL 52 100.000% *100.0000% (0.20 10.00 2.91 12.21) = 100.000% kept Peak 1185 (5.43, 9.64, 126.69 ppm): 2 chemical-shift based assignments, quality = 0.464, support = 4.48, residual support = 28.2: O HA THR 51 - HN VAL 52 50.000% * 92.2121% (0.45 10.0 4.76 30.40) = 92.212% kept HA MET 54 - HN VAL 52 50.000% * 7.7879% (0.65 1.0 1.17 2.15) = 7.788% kept Peak 1186 (5.29, 9.64, 126.69 ppm): 3 chemical-shift based assignments, quality = 0.763, support = 4.73, residual support = 81.3: O HA VAL 52 - HN VAL 52 33.333% * 99.8372% (0.76 10.0 4.74 81.40) = 99.837% kept HA TYR 93 - HN VAL 52 33.333% * 0.1091% (0.84 1.0 0.02 0.02) = 0.109% HA PHE 62 - HN VAL 52 33.333% * 0.0537% (0.41 1.0 0.02 0.12) = 0.054% Peak 1187 (3.94, 9.64, 126.69 ppm): 4 chemical-shift based assignments, quality = 0.28, support = 3.6, residual support = 28.9: HB THR 51 - HN VAL 52 25.000% * 94.9003% (0.25 3.79 30.40) = 94.900% kept HB THR 91 - HN VAL 52 25.000% * 1.7430% (0.87 0.02 0.02) = 1.743% kept HA2 GLY 5 - HN VAL 52 25.000% * 1.6784% (0.84 0.02 2.18) = 1.678% kept HA1 GLY 27 - HN VAL 52 25.000% * 1.6784% (0.84 0.02 0.02) = 1.678% kept Peak 1188 (2.04, 9.64, 126.69 ppm): 7 chemical-shift based assignments, quality = 0.969, support = 4.09, residual support = 77.3: O HB VAL 52 - HN VAL 52 14.286% * 91.2741% (1.00 10.0 4.24 81.40) = 91.274% kept HB2 ARG+ 53 - HN VAL 52 14.286% * 8.4137% (0.69 1.0 2.68 35.38) = 8.414% kept HB ILE 38 - HN VAL 52 14.286% * 0.0913% (1.00 1.0 0.02 0.02) = 0.091% HG2 PRO 33 - HN VAL 52 14.286% * 0.0865% (0.95 1.0 0.02 0.02) = 0.087% QG PRO 12 - HN VAL 52 14.286% * 0.0764% (0.84 1.0 0.02 0.02) = 0.076% HG3 MET 54 - HN VAL 52 14.286% * 0.0376% (0.41 1.0 0.02 2.15) = 0.038% HB3 MET 1 - HN VAL 52 14.286% * 0.0204% (0.22 1.0 0.02 0.02) = 0.020% Peak 1189 (1.28, 9.64, 126.69 ppm): 4 chemical-shift based assignments, quality = 0.705, support = 2.72, residual support = 17.1: QG2 THR 51 - HN VAL 52 25.000% * 47.3422% (0.41 4.37 30.40) = 47.342% kept QD1 LEU 82 - HN VAL 52 25.000% * 39.8720% (1.00 1.51 3.48) = 39.872% kept HB3 LEU 63 - HN VAL 52 25.000% * 10.6297% (0.87 0.47 12.61) = 10.630% kept HD2 LYS+ 56 - HN VAL 52 25.000% * 2.1561% (0.92 0.09 0.02) = 2.156% kept Peak 1190 (0.94, 9.64, 126.69 ppm): 6 chemical-shift based assignments, quality = 0.806, support = 4.64, residual support = 70.5: QG2 VAL 52 - HN VAL 52 16.667% * 86.1830% (0.84 5.29 81.40) = 86.183% kept QD2 LEU 82 - HN VAL 52 16.667% * 9.5789% (0.65 0.76 3.48) = 9.579% kept HG3 LYS+ 56 - HN VAL 52 16.667% * 2.6099% (0.49 0.27 0.02) = 2.610% kept HB3 ARG+ 48 - HN VAL 52 16.667% * 1.3200% (0.90 0.08 0.02) = 1.320% kept QG2 ILE 14 - HN VAL 52 16.667% * 0.1750% (0.45 0.02 2.01) = 0.175% QD1 LEU 26 - HN VAL 52 16.667% * 0.1331% (0.34 0.02 0.02) = 0.133% Peak 1193 (1.08, 8.78, 125.04 ppm): 4 chemical-shift based assignments, quality = 0.945, support = 4.76, residual support = 33.9: QG1 VAL 52 - HN ARG+ 53 25.000% * 95.9258% (0.97 4.96 35.38) = 95.926% kept HG13 ILE 85 - HN ARG+ 53 25.000% * 2.2614% (0.61 0.19 0.02) = 2.261% kept HG2 LYS+ 56 - HN ARG+ 53 25.000% * 1.7509% (0.34 0.26 0.02) = 1.751% kept HG12 ILE 24 - HN ARG+ 53 25.000% * 0.0619% (0.15 0.02 0.22) = 0.062% Peak 1194 (2.04, 8.78, 125.04 ppm): 7 chemical-shift based assignments, quality = 0.736, support = 4.76, residual support = 54.9: O HB2 ARG+ 53 - HN ARG+ 53 14.286% * 68.2503% (0.69 10.0 4.88 65.93) = 68.250% kept HB VAL 52 - HN ARG+ 53 14.286% * 23.5282% (1.00 1.0 4.75 35.38) = 23.528% kept HG3 MET 54 - HN ARG+ 53 14.286% * 7.9232% (0.41 1.0 3.88 19.87) = 7.923% kept HB ILE 38 - HN ARG+ 53 14.286% * 0.0991% (1.00 1.0 0.02 0.22) = 0.099% HG2 PRO 33 - HN ARG+ 53 14.286% * 0.0940% (0.95 1.0 0.02 0.57) = 0.094% QG PRO 12 - HN ARG+ 53 14.286% * 0.0830% (0.84 1.0 0.02 0.02) = 0.083% HB3 MET 1 - HN ARG+ 53 14.286% * 0.0221% (0.22 1.0 0.02 0.02) = 0.022% Peak 1195 (1.88, 8.78, 125.04 ppm): 10 chemical-shift based assignments, quality = 0.512, support = 2.39, residual support = 13.3: QB MET 54 - HN ARG+ 53 10.000% * 66.6581% (0.45 3.33 19.87) = 66.658% kept HB VAL 7 - HN ARG+ 53 10.000% * 23.1844% (0.84 0.62 0.02) = 23.184% kept HB3 LYS+ 11 - HN ARG+ 53 10.000% * 4.3735% (0.31 0.32 0.02) = 4.373% kept HB3 PRO 33 - HN ARG+ 53 10.000% * 2.4716% (0.25 0.22 0.57) = 2.472% kept QB PHE 70 - HN ARG+ 53 10.000% * 0.8605% (0.97 0.02 0.02) = 0.861% HB3 GLU- 59 - HN ARG+ 53 10.000% * 0.7140% (0.80 0.02 0.02) = 0.714% QB LYS+ 80 - HN ARG+ 53 10.000% * 0.7140% (0.80 0.02 0.02) = 0.714% QB LYS+ 72 - HN ARG+ 53 10.000% * 0.4691% (0.53 0.02 0.02) = 0.469% HB2 LYS+ 17 - HN ARG+ 53 10.000% * 0.4340% (0.49 0.02 0.02) = 0.434% HG3 PRO 33 - HN ARG+ 53 10.000% * 0.1207% (0.14 0.02 0.57) = 0.121% Peak 1196 (5.27, 8.78, 125.04 ppm): 5 chemical-shift based assignments, quality = 0.707, support = 4.49, residual support = 32.2: O HA VAL 52 - HN ARG+ 53 20.000% * 90.5472% (0.69 10.0 4.88 35.38) = 90.547% kept HA THR 39 - HN ARG+ 53 20.000% * 4.8289% (0.87 1.0 0.84 2.71) = 4.829% kept HA PHE 62 - HN ARG+ 53 20.000% * 4.4848% (0.97 1.0 0.71 0.19) = 4.485% kept HA TYR 93 - HN ARG+ 53 20.000% * 0.0800% (0.61 1.0 0.02 0.13) = 0.080% HA ARG+ 90 - HN ARG+ 53 20.000% * 0.0591% (0.45 1.0 0.02 0.02) = 0.059% Peak 1197 (4.74, 8.78, 125.04 ppm): 6 chemical-shift based assignments, quality = 0.757, support = 5.27, residual support = 60.3: O HA ARG+ 53 - HN ARG+ 53 16.667% * 91.3782% (0.76 10.0 5.64 65.93) = 91.378% kept HA LYS+ 55 - HN ARG+ 53 16.667% * 6.4421% (0.69 1.0 1.57 1.11) = 6.442% kept HA ILE 85 - HN ARG+ 53 16.667% * 1.9362% (0.76 1.0 0.42 0.02) = 1.936% kept HA ALA 34 - HN ARG+ 53 16.667% * 0.1072% (0.90 1.0 0.02 0.02) = 0.107% HA LYS+ 20 - HN ARG+ 53 16.667% * 0.0914% (0.76 1.0 0.02 0.02) = 0.091% HA HIS 99 - HN ARG+ 53 16.667% * 0.0449% (0.38 1.0 0.02 0.02) = 0.045% Peak 1198 (9.13, 8.07, 124.25 ppm): 2 chemical-shift based assignments, quality = 0.606, support = 2.29, residual support = 6.94: T HN VAL 40 - HN MET 54 50.000% * 99.9323% (0.61 10.00 2.29 6.95) = 99.932% kept HN GLU- 59 - HN MET 54 50.000% * 0.0677% (0.41 1.00 0.02 0.14) = 0.068% Peak 1199 (5.40, 8.07, 124.25 ppm): 2 chemical-shift based assignments, quality = 0.205, support = 0.391, residual support = 0.316: HA THR 91 - HN MET 54 50.000% * 63.5061% (0.22 0.43 0.35) = 63.506% kept HA LEU 42 - HN MET 54 50.000% * 36.4939% (0.18 0.32 0.26) = 36.494% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1200 (5.26, 8.07, 124.25 ppm): 5 chemical-shift based assignments, quality = 0.807, support = 1.72, residual support = 3.19: HA THR 39 - HN MET 54 20.000% * 61.0796% (0.97 2.13 4.69) = 61.080% kept HA VAL 52 - HN MET 54 20.000% * 14.3364% (0.25 1.93 2.15) = 14.336% kept HA ARG+ 90 - HN MET 54 20.000% * 13.1740% (0.90 0.49 0.10) = 13.174% kept HA PHE 62 - HN MET 54 20.000% * 11.2922% (0.57 0.67 0.02) = 11.292% kept HA TYR 93 - HN MET 54 20.000% * 0.1178% (0.20 0.02 1.59) = 0.118% Peak 1201 (4.65, 8.07, 124.25 ppm): 3 chemical-shift based assignments, quality = 0.827, support = 0.41, residual support = 0.365: HA ASP- 3 - HN MET 54 33.333% * 94.2177% (0.84 0.43 0.39) = 94.218% kept HA GLU- 77 - HN MET 54 33.333% * 4.3383% (0.84 0.02 0.02) = 4.338% kept HA ILE 96 - HN MET 54 33.333% * 1.4441% (0.28 0.02 0.02) = 1.444% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1202 (4.36, 8.07, 124.25 ppm): 7 chemical-shift based assignments, quality = 0.657, support = 1.04, residual support = 2.37: HA THR 4 - HN MET 54 14.286% * 28.8411% (0.65 1.37 3.06) = 28.841% kept HB THR 4 - HN MET 54 14.286% * 22.7426% (0.45 1.56 3.06) = 22.743% kept HA ILE 38 - HN MET 54 14.286% * 16.0954% (0.84 0.59 0.12) = 16.095% kept HA1 GLY 47 - HN MET 54 14.286% * 15.5842% (0.53 0.91 0.36) = 15.584% kept HA ILE 14 - HN MET 54 14.286% * 10.3246% (0.99 0.32 0.14) = 10.325% kept HA PRO 33 - HN MET 54 14.286% * 6.2501% (0.80 0.24 11.25) = 6.250% kept HA ASP- 73 - HN MET 54 14.286% * 0.1620% (0.25 0.02 0.02) = 0.162% Peak 1203 (0.96, 8.07, 124.25 ppm): 6 chemical-shift based assignments, quality = 0.939, support = 1.93, residual support = 2.54: QG2 VAL 52 - HN MET 54 16.667% * 31.6208% (0.98 2.61 2.15) = 31.621% kept HB3 ARG+ 48 - HN MET 54 16.667% * 25.2095% (0.95 2.16 5.85) = 25.210% kept HG3 LYS+ 56 - HN MET 54 16.667% * 18.8616% (0.92 1.65 1.61) = 18.862% kept QG2 ILE 14 - HN MET 54 16.667% * 13.9822% (0.90 1.26 0.14) = 13.982% kept QD2 LEU 82 - HN MET 54 16.667% * 8.7601% (0.99 0.72 0.61) = 8.760% kept QG2 ILE 85 - HN MET 54 16.667% * 1.5658% (0.28 0.46 0.49) = 1.566% kept Peak 1204 (1.17, 8.07, 124.25 ppm): 5 chemical-shift based assignments, quality = 0.539, support = 3.12, residual support = 4.67: HG3 ARG+ 48 - HN MET 54 20.000% * 31.5642% (0.57 3.57 5.85) = 31.564% kept QG2 THR 39 - HN MET 54 20.000% * 27.1189% (0.38 4.62 4.69) = 27.119% kept QG2 THR 4 - HN MET 54 20.000% * 18.2914% (0.41 2.85 3.06) = 18.291% kept HB3 LEU 43 - HN MET 54 20.000% * 12.9547% (0.76 1.08 6.40) = 12.955% kept HD3 LYS+ 56 - HN MET 54 20.000% * 10.0708% (0.84 0.77 1.61) = 10.071% kept Peak 1205 (1.79, 8.07, 124.25 ppm): 10 chemical-shift based assignments, quality = 0.801, support = 3.48, residual support = 19.1: HG3 ARG+ 53 - HN MET 54 10.000% * 43.3455% (0.95 4.30 19.87) = 43.345% kept HD2 LYS+ 55 - HN MET 54 10.000% * 26.2861% (1.00 2.47 22.34) = 26.286% kept HG2 ARG+ 53 - HN MET 54 10.000% * 13.2542% (0.25 4.99 19.87) = 13.254% kept HB2 LYS+ 55 - HN MET 54 10.000% * 8.5753% (0.25 3.23 22.34) = 8.575% kept HB3 LYS+ 20 - HN MET 54 10.000% * 3.9743% (0.92 0.40 0.02) = 3.974% kept HG LEU 82 - HN MET 54 10.000% * 3.7163% (1.00 0.35 0.61) = 3.716% kept HG LEU 42 - HN MET 54 10.000% * 0.5409% (0.28 0.18 0.26) = 0.541% HB3 LYS+ 17 - HN MET 54 10.000% * 0.1379% (0.65 0.02 3.05) = 0.138% HB ILE 95 - HN MET 54 10.000% * 0.1037% (0.49 0.02 0.02) = 0.104% HB VAL 61 - HN MET 54 10.000% * 0.0658% (0.31 0.02 8.90) = 0.066% Peak 1206 (2.00, 8.07, 124.25 ppm): 5 chemical-shift based assignments, quality = 0.457, support = 4.45, residual support = 43.4: HG3 MET 54 - HN MET 54 20.000% * 58.5720% (0.57 4.22 61.01) = 58.572% kept HB2 ARG+ 53 - HN MET 54 20.000% * 38.6642% (0.31 5.11 19.87) = 38.664% kept HB VAL 65 - HN MET 54 20.000% * 1.8814% (0.31 0.25 0.39) = 1.881% kept HB2 LYS+ 20 - HN MET 54 20.000% * 0.4895% (1.00 0.02 0.02) = 0.490% HB3 MET 1 - HN MET 54 20.000% * 0.3929% (0.80 0.02 0.02) = 0.393% Peak 1208 (3.38, 8.07, 124.25 ppm): 1 chemical-shift based assignment, quality = 0.647, support = 4.24, residual support = 19.9: QD ARG+ 53 - HN MET 54 100.000% *100.0000% (0.65 4.24 19.87) = 100.000% kept Peak 1209 (7.54, 8.07, 124.25 ppm): 2 chemical-shift based assignments, quality = 0.521, support = 0.36, residual support = 0.462: T HN ASN 29 - HN MET 54 50.000% * 93.2655% (0.53 10.00 0.36 0.44) = 93.266% kept HN LYS+ 80 - HN MET 54 50.000% * 6.7345% (0.45 1.00 0.30 0.84) = 6.734% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1210 (8.89, 9.26, 125.00 ppm): 4 chemical-shift based assignments, quality = 0.625, support = 3.41, residual support = 7.72: T HN PHE 62 - HN LYS+ 55 25.000% * 77.6553% (0.61 10.00 3.22 7.62) = 77.655% kept HN LEU 63 - HN LYS+ 55 25.000% * 20.4388% (0.73 1.00 4.40 8.82) = 20.439% kept HN GLU- 16 - HN LYS+ 55 25.000% * 1.8485% (0.31 1.00 0.94 0.02) = 1.849% kept HN GLY 79 - HN LYS+ 55 25.000% * 0.0574% (0.45 1.00 0.02 0.02) = 0.057% Peak 1211 (8.77, 9.26, 125.00 ppm): 2 chemical-shift based assignments, quality = 0.777, support = 5.36, residual support = 10.2: HN THR 64 - HN LYS+ 55 50.000% * 78.5162% (0.84 6.15 12.69) = 78.516% kept HN ARG+ 53 - HN LYS+ 55 50.000% * 21.4838% (0.57 2.48 1.11) = 21.484% kept Peak 1212 (8.07, 9.26, 125.00 ppm): 4 chemical-shift based assignments, quality = 0.898, support = 3.45, residual support = 7.03: T HN ASP- 89 - HN LYS+ 55 25.000% * 67.0685% (0.90 10.00 3.06 3.73) = 67.068% kept HN MET 54 - HN LYS+ 55 25.000% * 18.1996% (0.95 1.00 5.15 22.34) = 18.200% kept HN LEU 22 - HN LYS+ 55 25.000% * 11.4006% (0.80 1.00 3.81 4.04) = 11.401% kept HN ARG+ 48 - HN LYS+ 55 25.000% * 3.3313% (1.00 1.00 0.89 0.02) = 3.331% kept Peak 1213 (6.97, 9.26, 125.00 ppm): 2 chemical-shift based assignments, quality = 0.74, support = 1.12, residual support = 1.4: HN PHE 70 - HN LYS+ 55 50.000% * 61.4170% (0.95 0.96 0.50) = 61.417% kept HE ARG+ 90 - HN LYS+ 55 50.000% * 38.5830% (0.41 1.38 2.84) = 38.583% kept Peak 1214 (5.40, 9.26, 125.00 ppm): 2 chemical-shift based assignments, quality = 0.21, support = 1.04, residual support = 1.36: HA THR 91 - HN LYS+ 55 50.000% * 72.4673% (0.22 1.21 1.80) = 72.467% kept HA LEU 42 - HN LYS+ 55 50.000% * 27.5327% (0.18 0.59 0.21) = 27.533% kept Peak 1215 (5.07, 9.26, 125.00 ppm): 3 chemical-shift based assignments, quality = 0.697, support = 4.92, residual support = 38.2: HA LYS+ 56 - HN LYS+ 55 33.333% * 95.2445% (0.69 5.16 40.06) = 95.245% kept HA LYS+ 80 - HN LYS+ 55 33.333% * 3.0777% (0.95 0.12 0.02) = 3.078% kept HA1 GLY 66 - HN LYS+ 55 33.333% * 1.6778% (0.80 0.08 0.02) = 1.678% kept Peak 1216 (4.79, 9.26, 125.00 ppm): 2 chemical-shift based assignments, quality = 0.806, support = 2.4, residual support = 10.2: HA THR 64 - HN LYS+ 55 50.000% * 79.7658% (0.90 2.67 12.69) = 79.766% kept HA TYR 81 - HN LYS+ 55 50.000% * 20.2342% (0.45 1.35 0.49) = 20.234% kept Peak 1217 (2.31, 9.26, 125.00 ppm): 3 chemical-shift based assignments, quality = 0.57, support = 0.866, residual support = 1.5: HB2 PRO 33 - HN LYS+ 55 33.333% * 52.5359% (0.38 1.32 2.76) = 52.536% kept QG GLU- 59 - HN LYS+ 55 33.333% * 34.3101% (0.98 0.33 0.13) = 34.310% kept QG GLU- 16 - HN LYS+ 55 33.333% * 13.1540% (0.28 0.45 0.02) = 13.154% kept Peak 1218 (2.53, 9.26, 125.00 ppm): 6 chemical-shift based assignments, quality = 0.756, support = 2.88, residual support = 4.46: QB PHE 62 - HN LYS+ 55 16.667% * 44.2531% (0.87 3.39 7.62) = 44.253% kept HB2 ARG+ 90 - HN LYS+ 55 16.667% * 31.8643% (0.61 3.49 2.84) = 31.864% kept HB3 ASP- 41 - HN LYS+ 55 16.667% * 15.4016% (0.87 1.18 1.05) = 15.402% kept HB3 TYR 81 - HN LYS+ 55 16.667% * 4.5585% (0.20 1.53 0.49) = 4.558% kept HB3 ASN 75 - HN LYS+ 55 16.667% * 3.8700% (0.95 0.27 0.02) = 3.870% kept HG3 MET 1 - HN LYS+ 55 16.667% * 0.0527% (0.18 0.02 0.02) = 0.053% Peak 1219 (2.00, 9.26, 125.00 ppm): 5 chemical-shift based assignments, quality = 0.515, support = 3.65, residual support = 16.3: HG3 MET 54 - HN LYS+ 55 20.000% * 72.1793% (0.57 4.53 22.34) = 72.179% kept HB2 ARG+ 53 - HN LYS+ 55 20.000% * 16.4653% (0.31 1.89 1.11) = 16.465% kept HB VAL 65 - HN LYS+ 55 20.000% * 7.7393% (0.31 0.89 0.02) = 7.739% kept HB2 LYS+ 20 - HN LYS+ 55 20.000% * 3.1652% (1.00 0.11 0.02) = 3.165% kept HB3 MET 1 - HN LYS+ 55 20.000% * 0.4509% (0.80 0.02 0.02) = 0.451% Peak 1220 (1.74, 9.26, 125.00 ppm): 8 chemical-shift based assignments, quality = 0.312, support = 5.57, residual support = 82.1: O HB2 LYS+ 55 - HN LYS+ 55 12.500% * 89.6645% (0.28 10.0 6.17 91.44) = 89.664% kept HG12 ILE 38 - HN LYS+ 55 12.500% * 5.6874% (0.92 1.0 0.38 0.88) = 5.687% kept HB VAL 61 - HN LYS+ 55 12.500% * 2.6121% (0.22 1.0 0.73 2.19) = 2.612% kept HB2 GLU- 23 - HN LYS+ 55 12.500% * 1.1070% (0.41 1.0 0.17 0.42) = 1.107% kept HB2 ARG+ 48 - HN LYS+ 55 12.500% * 0.3161% (0.98 1.0 0.02 0.02) = 0.316% HB3 PRO 25 - HN LYS+ 55 12.500% * 0.2797% (0.87 1.0 0.02 0.02) = 0.280% HB ILE 14 - HN LYS+ 55 12.500% * 0.2694% (0.84 1.0 0.02 0.98) = 0.269% QB GLU- 30 - HN LYS+ 55 12.500% * 0.0638% (0.20 1.0 0.02 0.12) = 0.064% Peak 1221 (0.76, 9.26, 125.00 ppm): 3 chemical-shift based assignments, quality = 0.807, support = 3.05, residual support = 2.58: QG2 VAL 71 - HN LYS+ 55 33.333% * 61.5443% (1.00 3.30 2.80) = 61.544% kept QD1 LEU 43 - HN LYS+ 55 33.333% * 26.3537% (0.65 2.18 2.24) = 26.354% kept QG1 VAL 61 - HN LYS+ 55 33.333% * 12.1019% (0.18 3.70 2.19) = 12.102% kept Peak 1222 (0.60, 9.26, 125.00 ppm): 4 chemical-shift based assignments, quality = 0.281, support = 4.38, residual support = 6.25: QD2 LEU 63 - HN LYS+ 55 25.000% * 53.3004% (0.22 6.23 8.82) = 53.300% kept QD2 LEU 22 - HN LYS+ 55 25.000% * 38.1242% (0.38 2.64 4.04) = 38.124% kept QD1 LEU 42 - HN LYS+ 55 25.000% * 4.8880% (0.15 0.82 0.21) = 4.888% kept QG2 ILE 24 - HN LYS+ 55 25.000% * 3.6874% (0.31 0.31 0.02) = 3.687% kept Peak 1223 (0.97, 9.26, 125.00 ppm): 9 chemical-shift based assignments, quality = 0.791, support = 5.27, residual support = 23.6: HG3 LYS+ 56 - HN LYS+ 55 11.111% * 53.0512% (0.92 7.88 40.06) = 53.051% kept QD2 LEU 82 - HN LYS+ 55 11.111% * 15.8356% (0.80 2.71 4.95) = 15.836% kept QG2 THR 64 - HN LYS+ 55 11.111% * 11.9111% (0.45 3.64 12.69) = 11.911% kept QG2 VAL 52 - HN LYS+ 55 11.111% * 5.9432% (0.61 1.34 0.17) = 5.943% kept QG2 ILE 14 - HN LYS+ 55 11.111% * 5.9323% (0.95 0.86 0.98) = 5.932% kept QG1 VAL 40 - HN LYS+ 55 11.111% * 3.4980% (0.22 2.16 0.39) = 3.498% kept QG2 ILE 85 - HN LYS+ 55 11.111% * 2.9744% (0.73 0.56 0.52) = 2.974% kept HB3 ARG+ 48 - HN LYS+ 55 11.111% * 0.6045% (0.53 0.16 0.02) = 0.604% HG LEU 76 - HN LYS+ 55 11.111% * 0.2498% (0.22 0.15 0.42) = 0.250% Peak 1224 (1.19, 9.26, 125.00 ppm): 7 chemical-shift based assignments, quality = 0.81, support = 5.01, residual support = 27.4: HD3 LYS+ 56 - HN LYS+ 55 14.286% * 54.5751% (0.98 6.10 40.06) = 54.575% kept QE MET 54 - HN LYS+ 55 14.286% * 24.2771% (0.45 5.94 22.34) = 24.277% kept QG2 THR 39 - HN LYS+ 55 14.286% * 9.7884% (0.84 1.28 0.54) = 9.788% kept QG2 THR 4 - HN LYS+ 55 14.286% * 9.0101% (0.87 1.14 0.22) = 9.010% kept HB3 LEU 43 - HN LYS+ 55 14.286% * 1.8936% (0.31 0.67 2.24) = 1.894% kept HG3 GLU- 23 - HN LYS+ 55 14.286% * 0.4236% (0.28 0.17 0.42) = 0.424% HG3 ARG+ 48 - HN LYS+ 55 14.286% * 0.0320% (0.18 0.02 0.02) = 0.032% Peak 1225 (1.30, 9.26, 125.00 ppm): 5 chemical-shift based assignments, quality = 0.555, support = 4.14, residual support = 23.4: HD2 LYS+ 56 - HN LYS+ 55 20.000% * 50.4780% (0.49 5.80 40.06) = 50.478% kept HB3 LEU 63 - HN LYS+ 55 20.000% * 33.2211% (0.57 3.28 8.82) = 33.221% kept QG2 THR 51 - HN LYS+ 55 20.000% * 11.0964% (0.97 0.64 0.02) = 11.096% kept QD1 LEU 82 - HN LYS+ 55 20.000% * 5.1493% (0.28 1.04 4.95) = 5.149% kept HG12 ILE 14 - HN LYS+ 55 20.000% * 0.0552% (0.15 0.02 0.98) = 0.055% Peak 1226 (9.24, 8.71, 126.13 ppm): 5 chemical-shift based assignments, quality = 0.644, support = 2.76, residual support = 13.7: HN ARG+ 57 - HN LYS+ 56 20.000% * 36.1318% (0.73 2.95 11.41) = 36.132% kept HN GLY 58 - HN LYS+ 56 20.000% * 24.5159% (0.98 1.48 2.21) = 24.516% kept HN LYS+ 55 - HN LYS+ 56 20.000% * 19.2597% (0.25 4.58 40.06) = 19.260% kept HN ARG+ 90 - HN LYS+ 56 20.000% * 19.1687% (0.49 2.33 7.09) = 19.169% kept HN GLN 83 - HN LYS+ 56 20.000% * 0.9239% (0.20 0.28 0.11) = 0.924% Peak 1227 (6.95, 8.71, 126.13 ppm): 1 chemical-shift based assignment, quality = 0.526, support = 0.839, residual support = 2.42: HN PHE 70 - HN LYS+ 56 100.000% *100.0000% (0.53 0.84 2.42) = 100.000% kept Peak 1228 (5.05, 8.71, 126.13 ppm): 5 chemical-shift based assignments, quality = 0.269, support = 3.6, residual support = 148.4: O HA LYS+ 56 - HN LYS+ 56 20.000% * 92.2789% (0.25 10.0 3.84 160.79) = 92.279% kept HA LYS+ 80 - HN LYS+ 56 20.000% * 7.3779% (0.53 1.0 0.76 0.15) = 7.378% kept HA VAL 94 - HN LYS+ 56 20.000% * 0.1521% (0.41 1.0 0.02 0.02) = 0.152% HA1 GLY 66 - HN LYS+ 56 20.000% * 0.1262% (0.34 1.0 0.02 0.02) = 0.126% HA PHE 9 - HN LYS+ 56 20.000% * 0.0648% (0.18 1.0 0.02 0.02) = 0.065% Peak 1229 (4.81, 8.71, 126.13 ppm): 2 chemical-shift based assignments, quality = 0.939, support = 0.268, residual support = 0.988: HA TYR 81 - HN LYS+ 56 50.000% * 94.1284% (0.95 0.28 1.05) = 94.128% kept HA TRP 50 - HN LYS+ 56 50.000% * 5.8716% (0.84 0.02 0.02) = 5.872% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1230 (1.68, 8.71, 126.13 ppm): 10 chemical-shift based assignments, quality = 0.539, support = 3.65, residual support = 100.0: O HB2 LYS+ 56 - HN LYS+ 56 10.000% * 49.8902% (0.25 10.0 3.94 160.79) = 49.890% kept HB3 LYS+ 55 - HN LYS+ 56 10.000% * 35.1835% (1.00 1.0 3.52 40.06) = 35.183% kept HD3 LYS+ 55 - HN LYS+ 56 10.000% * 14.0775% (0.45 1.0 3.14 40.06) = 14.077% kept QD LYS+ 17 - HN LYS+ 56 10.000% * 0.1794% (0.90 1.0 0.02 0.02) = 0.179% HB2 LEU 43 - HN LYS+ 56 10.000% * 0.1736% (0.87 1.0 0.02 3.51) = 0.174% HG2 PRO 25 - HN LYS+ 56 10.000% * 0.1736% (0.87 1.0 0.02 0.02) = 0.174% QD LYS+ 11 - HN LYS+ 56 10.000% * 0.1374% (0.69 1.0 0.02 0.76) = 0.137% QB PRO 12 - HN LYS+ 56 10.000% * 0.1053% (0.53 1.0 0.02 0.02) = 0.105% QD LYS+ 60 - HN LYS+ 56 10.000% * 0.0445% (0.22 1.0 0.02 0.02) = 0.045% HG LEU 26 - HN LYS+ 56 10.000% * 0.0350% (0.18 1.0 0.02 0.02) = 0.035% Peak 1231 (1.26, 8.71, 126.13 ppm): 3 chemical-shift based assignments, quality = 0.317, support = 3.0, residual support = 153.1: O HB3 LYS+ 56 - HN LYS+ 56 33.333% * 95.2004% (0.31 10.0 3.13 160.79) = 95.200% kept HB3 LEU 82 - HN LYS+ 56 33.333% * 2.4631% (0.69 1.0 0.23 0.72) = 2.463% kept QD1 LEU 82 - HN LYS+ 56 33.333% * 2.3364% (0.28 1.0 0.54 0.72) = 2.336% kept Peak 1232 (1.00, 8.71, 126.13 ppm): 6 chemical-shift based assignments, quality = 0.712, support = 1.52, residual support = 4.12: QG2 THR 91 - HN LYS+ 56 16.667% * 38.1943% (0.49 2.62 6.39) = 38.194% kept QD1 ILE 38 - HN LYS+ 56 16.667% * 32.6370% (0.95 1.15 1.10) = 32.637% kept HG LEU 76 - HN LYS+ 56 16.667% * 15.3861% (0.80 0.64 7.42) = 15.386% kept QG1 VAL 40 - HN LYS+ 56 16.667% * 8.3634% (0.80 0.35 0.02) = 8.363% kept QG2 THR 64 - HN LYS+ 56 16.667% * 5.2528% (0.53 0.33 3.30) = 5.253% kept QG2 ILE 85 - HN LYS+ 56 16.667% * 0.1664% (0.28 0.02 0.02) = 0.166% Peak 1233 (0.78, 8.71, 126.13 ppm): 6 chemical-shift based assignments, quality = 0.514, support = 2.15, residual support = 8.57: QG2 VAL 71 - HN LYS+ 56 16.667% * 53.5353% (0.73 2.46 8.56) = 53.535% kept QG2 VAL 61 - HN LYS+ 56 16.667% * 20.4487% (0.25 2.73 14.84) = 20.449% kept QD1 LEU 43 - HN LYS+ 56 16.667% * 9.7432% (0.22 1.46 3.51) = 9.743% kept QG2 ILE 96 - HN LYS+ 56 16.667% * 9.3682% (0.41 0.76 1.39) = 9.368% kept HB2 LEU 76 - HN LYS+ 56 16.667% * 6.4483% (0.22 0.97 7.42) = 6.448% kept HG LEU 22 - HN LYS+ 56 16.667% * 0.4563% (0.20 0.08 5.47) = 0.456% Peak 1234 (2.93, 8.71, 126.13 ppm): 4 chemical-shift based assignments, quality = 0.87, support = 0.185, residual support = 0.129: QB ASN 29 - HN LYS+ 56 25.000% * 80.0414% (1.00 0.21 0.16) = 80.041% kept HB2 TYR 93 - HN LYS+ 56 25.000% * 17.3607% (0.38 0.12 0.02) = 17.361% kept HB3 PHE 9 - HN LYS+ 56 25.000% * 1.5428% (0.20 0.02 0.02) = 1.543% kept QE LYS+ 17 - HN LYS+ 56 25.000% * 1.0550% (0.14 0.02 0.02) = 1.055% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1235 (8.91, 9.22, 127.77 ppm): 8 chemical-shift based assignments, quality = 0.873, support = 0.199, residual support = 0.0687: HN GLU- 16 - HN ARG+ 57 12.500% * 53.7595% (1.00 0.28 0.11) = 53.759% kept HN GLU- 16 - HN GLY 58 12.500% * 23.7874% (0.83 0.15 0.02) = 23.787% kept HN VAL 65 - HN GLY 58 12.500% * 10.8526% (0.61 0.09 0.02) = 10.853% kept HN VAL 65 - HN ARG+ 57 12.500% * 2.7852% (0.73 0.02 0.02) = 2.785% kept HN LEU 63 - HN ARG+ 57 12.500% * 2.7852% (0.73 0.02 0.02) = 2.785% kept HN LEU 63 - HN GLY 58 12.500% * 2.3264% (0.61 0.02 0.02) = 2.326% kept HN ASP- 41 - HN ARG+ 57 12.500% * 2.0180% (0.53 0.02 0.02) = 2.018% kept HN ASP- 41 - HN GLY 58 12.500% * 1.6856% (0.44 0.02 0.02) = 1.686% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1238 (7.51, 9.22, 127.77 ppm): 6 chemical-shift based assignments, quality = 0.496, support = 2.96, residual support = 4.37: HN LYS+ 60 - HN GLY 58 16.667% * 44.3760% (0.51 4.20 8.81) = 44.376% kept HN LYS+ 60 - HN ARG+ 57 16.667% * 28.1905% (0.61 2.23 1.19) = 28.190% kept HN THR 39 - HN GLY 58 16.667% * 15.1570% (0.34 2.12 0.71) = 15.157% kept HN THR 39 - HN ARG+ 57 16.667% * 11.1624% (0.41 1.30 0.14) = 11.162% kept HN TYR 31 - HN GLY 58 16.667% * 1.0213% (0.19 0.26 0.02) = 1.021% kept HN TYR 31 - HN ARG+ 57 16.667% * 0.0928% (0.22 0.02 0.02) = 0.093% Peak 1239 (7.29, 9.22, 127.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1240 (6.92, 9.22, 127.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1241 (5.07, 9.22, 127.77 ppm): 6 chemical-shift based assignments, quality = 0.694, support = 3.14, residual support = 9.66: O HA LYS+ 56 - HN ARG+ 57 16.667% * 82.2744% (0.69 10.0 3.46 11.41) = 82.274% kept HA LYS+ 56 - HN GLY 58 16.667% * 8.4556% (0.57 1.0 2.46 2.21) = 8.456% kept HA LYS+ 80 - HN ARG+ 57 16.667% * 5.2921% (0.95 1.0 0.93 1.10) = 5.292% kept HA LYS+ 80 - HN GLY 58 16.667% * 3.8019% (0.79 1.0 0.80 0.62) = 3.802% kept HA1 GLY 66 - HN ARG+ 57 16.667% * 0.0959% (0.80 1.0 0.02 0.02) = 0.096% HA1 GLY 66 - HN GLY 58 16.667% * 0.0801% (0.67 1.0 0.02 0.02) = 0.080% Peak 1242 (4.50, 9.22, 127.77 ppm): 16 chemical-shift based assignments, quality = 0.601, support = 1.02, residual support = 4.69: HA LYS+ 60 - HN GLY 58 6.250% * 47.9792% (0.57 1.37 8.81) = 47.979% kept HA LYS+ 60 - HN ARG+ 57 6.250% * 38.6678% (0.69 0.92 1.19) = 38.668% kept HA MET 1 - HN ARG+ 57 6.250% * 5.1875% (0.97 0.09 0.02) = 5.188% kept HA VAL 7 - HN ARG+ 57 6.250% * 1.0978% (0.90 0.02 0.02) = 1.098% kept HA MET 1 - HN GLY 58 6.250% * 0.9868% (0.81 0.02 0.02) = 0.987% HA VAL 7 - HN GLY 58 6.250% * 0.9170% (0.75 0.02 0.02) = 0.917% HB2 SER 18 - HN ARG+ 57 6.250% * 0.8409% (0.69 0.02 0.02) = 0.841% HB2 SER 18 - HN GLY 58 6.250% * 0.7023% (0.57 0.02 0.02) = 0.702% HA ASN 74 - HN ARG+ 57 6.250% * 0.5488% (0.45 0.02 0.02) = 0.549% HA ASN 69 - HN ARG+ 57 6.250% * 0.5033% (0.41 0.02 0.02) = 0.503% HA ASN 100 - HN ARG+ 57 6.250% * 0.5033% (0.41 0.02 0.02) = 0.503% HA ASN 74 - HN GLY 58 6.250% * 0.4584% (0.37 0.02 0.02) = 0.458% HA ASN 100 - HN GLY 58 6.250% * 0.4204% (0.34 0.02 0.02) = 0.420% HA ASN 69 - HN GLY 58 6.250% * 0.4204% (0.34 0.02 0.02) = 0.420% HA LEU 22 - HN ARG+ 57 6.250% * 0.4176% (0.34 0.02 0.02) = 0.418% HA LEU 22 - HN GLY 58 6.250% * 0.3488% (0.28 0.02 0.02) = 0.349% Peak 1243 (1.68, 9.22, 127.77 ppm): 20 chemical-shift based assignments, quality = 0.582, support = 1.89, residual support = 3.08: HB3 LYS+ 55 - HN ARG+ 57 5.000% * 24.6426% (1.00 1.35 0.28) = 24.643% kept HB2 LYS+ 56 - HN ARG+ 57 5.000% * 21.9070% (0.25 4.80 11.41) = 21.907% kept HB3 LYS+ 55 - HN GLY 58 5.000% * 12.1485% (0.83 0.80 0.02) = 12.148% kept HD3 LYS+ 55 - HN ARG+ 57 5.000% * 10.4508% (0.45 1.27 0.28) = 10.451% kept HB2 LYS+ 56 - HN GLY 58 5.000% * 7.6081% (0.21 2.00 2.21) = 7.608% kept HB2 LEU 43 - HN ARG+ 57 5.000% * 6.0384% (0.87 0.38 0.15) = 6.038% kept HD3 LYS+ 55 - HN GLY 58 5.000% * 5.0041% (0.37 0.73 0.02) = 5.004% kept QD LYS+ 60 - HN ARG+ 57 5.000% * 3.5794% (0.22 0.88 1.19) = 3.579% kept QD LYS+ 60 - HN GLY 58 5.000% * 2.8832% (0.19 0.85 8.81) = 2.883% kept QD LYS+ 17 - HN ARG+ 57 5.000% * 2.4437% (0.90 0.15 0.02) = 2.444% kept QD LYS+ 17 - HN GLY 58 5.000% * 1.5130% (0.75 0.11 0.02) = 1.513% kept HG2 PRO 25 - HN ARG+ 57 5.000% * 0.3176% (0.87 0.02 0.02) = 0.318% HG2 PRO 25 - HN GLY 58 5.000% * 0.2653% (0.72 0.02 0.02) = 0.265% HB2 LEU 43 - HN GLY 58 5.000% * 0.2653% (0.72 0.02 0.02) = 0.265% QD LYS+ 11 - HN ARG+ 57 5.000% * 0.2515% (0.69 0.02 0.02) = 0.252% QD LYS+ 11 - HN GLY 58 5.000% * 0.2101% (0.57 0.02 0.02) = 0.210% QB PRO 12 - HN ARG+ 57 5.000% * 0.1926% (0.53 0.02 0.02) = 0.193% QB PRO 12 - HN GLY 58 5.000% * 0.1609% (0.44 0.02 0.02) = 0.161% HG LEU 26 - HN ARG+ 57 5.000% * 0.0641% (0.18 0.02 0.02) = 0.064% HG LEU 26 - HN GLY 58 5.000% * 0.0536% (0.15 0.02 0.02) = 0.054% Peak 1244 (1.41, 9.22, 127.77 ppm): 6 chemical-shift based assignments, quality = 0.764, support = 1.3, residual support = 3.21: HB3 LYS+ 60 - HN ARG+ 57 16.667% * 35.8926% (0.90 1.54 1.19) = 35.893% kept HB3 LYS+ 60 - HN GLY 58 16.667% * 29.6850% (0.75 1.53 8.81) = 29.685% kept HG13 ILE 38 - HN GLY 58 16.667% * 16.3356% (0.61 1.04 0.37) = 16.336% kept HG13 ILE 38 - HN ARG+ 57 16.667% * 15.0593% (0.73 0.80 0.71) = 15.059% kept QB ALA 2 - HN GLY 58 16.667% * 2.7747% (0.41 0.26 0.02) = 2.775% kept QB ALA 2 - HN ARG+ 57 16.667% * 0.2528% (0.49 0.02 0.02) = 0.253% Peak 1245 (1.25, 9.22, 127.77 ppm): 8 chemical-shift based assignments, quality = 0.705, support = 2.39, residual support = 8.24: HB3 LYS+ 56 - HN ARG+ 57 12.500% * 66.6273% (0.76 2.92 11.41) = 66.627% kept HB3 LYS+ 56 - HN GLY 58 12.500% * 28.7592% (0.64 1.51 2.21) = 28.759% kept QG1 VAL 65 - HN ARG+ 57 12.500% * 3.0443% (0.41 0.25 0.02) = 3.044% kept HB3 LEU 82 - HN ARG+ 57 12.500% * 0.5948% (1.00 0.02 0.02) = 0.595% HB3 LEU 82 - HN GLY 58 12.500% * 0.4968% (0.83 0.02 0.02) = 0.497% QG1 VAL 65 - HN GLY 58 12.500% * 0.2047% (0.34 0.02 0.02) = 0.205% HB3 LEU 42 - HN ARG+ 57 12.500% * 0.1487% (0.25 0.02 0.02) = 0.149% HB3 LEU 42 - HN GLY 58 12.500% * 0.1242% (0.21 0.02 0.02) = 0.124% Peak 1246 (1.02, 9.22, 127.77 ppm): 10 chemical-shift based assignments, quality = 0.649, support = 1.19, residual support = 0.395: QG2 THR 91 - HN ARG+ 57 10.000% * 38.7220% (0.92 1.19 0.28) = 38.722% kept QD1 ILE 38 - HN ARG+ 57 10.000% * 30.4160% (0.53 1.64 0.71) = 30.416% kept QD1 ILE 38 - HN GLY 58 10.000% * 17.3718% (0.44 1.12 0.37) = 17.372% kept QG1 VAL 40 - HN ARG+ 57 10.000% * 4.4919% (0.34 0.37 0.02) = 4.492% kept QG2 THR 91 - HN GLY 58 10.000% * 3.1441% (0.77 0.12 0.02) = 3.144% kept HG LEU 76 - HN ARG+ 57 10.000% * 2.7228% (0.34 0.23 0.10) = 2.723% kept QG1 VAL 40 - HN GLY 58 10.000% * 1.5439% (0.28 0.15 0.02) = 1.544% kept QG2 THR 64 - HN ARG+ 57 10.000% * 1.2964% (0.15 0.24 0.02) = 1.296% kept HG LEU 76 - HN GLY 58 10.000% * 0.2005% (0.28 0.02 0.02) = 0.201% QG2 THR 64 - HN GLY 58 10.000% * 0.0907% (0.13 0.02 1.01) = 0.091% Peak 1247 (0.75, 9.22, 127.77 ppm): 8 chemical-shift based assignments, quality = 0.703, support = 1.02, residual support = 0.269: QG2 VAL 71 - HN ARG+ 57 12.500% * 34.4002% (0.73 1.36 0.39) = 34.400% kept QG1 VAL 61 - HN ARG+ 57 12.500% * 26.2880% (0.57 1.33 0.37) = 26.288% kept QD1 LEU 43 - HN ARG+ 57 12.500% * 20.8686% (0.99 0.60 0.15) = 20.869% kept QG1 VAL 61 - HN GLY 58 12.500% * 11.1621% (0.47 0.68 0.02) = 11.162% kept QD1 LEU 43 - HN GLY 58 12.500% * 3.4796% (0.83 0.12 0.02) = 3.480% kept QG2 VAL 71 - HN GLY 58 12.500% * 2.7071% (0.61 0.13 0.02) = 2.707% kept QG1 ILE 96 - HN ARG+ 57 12.500% * 0.9143% (0.31 0.08 0.02) = 0.914% QG1 ILE 96 - HN GLY 58 12.500% * 0.1802% (0.26 0.02 0.02) = 0.180% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1248 (7.51, 9.11, 126.12 ppm): 3 chemical-shift based assignments, quality = 0.57, support = 5.27, residual support = 21.7: HN LYS+ 60 - HN GLU- 59 33.333% * 83.2534% (0.61 6.04 25.37) = 83.253% kept HN THR 39 - HN GLU- 59 33.333% * 14.9510% (0.41 1.60 3.61) = 14.951% kept HN TYR 31 - HN GLU- 59 33.333% * 1.7957% (0.22 0.35 0.02) = 1.796% kept Peak 1249 (4.21, 9.11, 126.12 ppm): 1 chemical-shift based assignment, quality = 0.375, support = 0.0853, residual support = 0.105: HD2 PRO 33 - HN GLU- 59 100.000% *100.0000% (0.38 0.09 0.11) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1250 (4.01, 9.11, 126.12 ppm): 6 chemical-shift based assignments, quality = 0.764, support = 2.29, residual support = 4.58: O HA1 GLY 58 - HN GLU- 59 16.667% * 97.4404% (0.76 10.0 2.34 4.70) = 97.440% kept HA LYS+ 72 - HN GLU- 59 16.667% * 2.2846% (0.84 1.0 0.43 0.02) = 2.285% kept HA1 GLY 5 - HN GLU- 59 16.667% * 0.1272% (1.00 1.0 0.02 0.02) = 0.127% HB2 SER 15 - HN GLU- 59 16.667% * 0.0926% (0.73 1.0 0.02 0.02) = 0.093% HA2 GLY 66 - HN GLU- 59 16.667% * 0.0355% (0.28 1.0 0.02 0.02) = 0.035% HA2 GLY 98 - HN GLU- 59 16.667% * 0.0197% (0.15 1.0 0.02 0.02) = 0.020% Peak 1251 (3.62, 9.11, 126.12 ppm): 2 chemical-shift based assignments, quality = 0.62, support = 2.48, residual support = 4.5: O HA2 GLY 58 - HN GLU- 59 50.000% * 95.7261% (0.61 10.0 2.57 4.70) = 95.726% kept HD2 PRO 37 - HN GLU- 59 50.000% * 4.2739% (0.92 1.0 0.59 0.02) = 4.274% kept Peak 1252 (2.19, 9.11, 126.12 ppm): 9 chemical-shift based assignments, quality = 0.16, support = 3.39, residual support = 27.0: O HB2 GLU- 59 - HN GLU- 59 11.111% * 93.1921% (0.14 10.0 3.63 28.92) = 93.192% kept QB GLU- 68 - HN GLU- 59 11.111% * 3.7683% (0.90 1.0 0.12 0.02) = 3.768% kept HB2 LEU 42 - HN GLU- 59 11.111% * 0.6514% (0.95 1.0 0.02 0.02) = 0.651% QG GLU- 6 - HN GLU- 59 11.111% * 0.5262% (0.76 1.0 0.02 0.02) = 0.526% HB2 GLU- 77 - HN GLU- 59 11.111% * 0.5000% (0.73 1.0 0.02 0.02) = 0.500% HB2 MET 101 - HN GLU- 59 11.111% * 0.4455% (0.65 1.0 0.02 0.02) = 0.445% HB2 PHE 84 - HN GLU- 59 11.111% * 0.3899% (0.57 1.0 0.02 0.02) = 0.390% QG GLU- 77 - HN GLU- 59 11.111% * 0.3352% (0.49 1.0 0.02 0.02) = 0.335% HB2 LEU 82 - HN GLU- 59 11.111% * 0.1915% (0.28 1.0 0.02 0.02) = 0.191% Peak 1253 (1.88, 9.11, 126.12 ppm): 10 chemical-shift based assignments, quality = 0.79, support = 3.33, residual support = 28.4: O HB3 GLU- 59 - HN GLU- 59 10.000% * 98.2989% (0.80 10.0 3.37 28.92) = 98.299% kept HB3 PRO 33 - HN GLU- 59 10.000% * 1.1479% (0.25 1.0 0.75 0.11) = 1.148% kept QB PHE 70 - HN GLU- 59 10.000% * 0.1185% (0.97 1.0 0.02 0.02) = 0.118% HB VAL 7 - HN GLU- 59 10.000% * 0.1025% (0.84 1.0 0.02 0.02) = 0.103% QB LYS+ 80 - HN GLU- 59 10.000% * 0.0983% (0.80 1.0 0.02 0.02) = 0.098% QB LYS+ 72 - HN GLU- 59 10.000% * 0.0646% (0.53 1.0 0.02 0.02) = 0.065% HB2 LYS+ 17 - HN GLU- 59 10.000% * 0.0598% (0.49 1.0 0.02 0.02) = 0.060% QB MET 54 - HN GLU- 59 10.000% * 0.0550% (0.45 1.0 0.02 0.14) = 0.055% HB3 LYS+ 11 - HN GLU- 59 10.000% * 0.0379% (0.31 1.0 0.02 0.02) = 0.038% HG3 PRO 33 - HN GLU- 59 10.000% * 0.0166% (0.14 1.0 0.02 0.11) = 0.017% Peak 1254 (6.94, 8.87, 122.18 ppm): 1 chemical-shift based assignment, quality = 0.154, support = 0.622, residual support = 0.622: HN PHE 70 - HN PHE 62 100.000% *100.0000% (0.15 0.62 0.62) = 100.000% kept Not enough quality. Peak unassigned. Peak 1255 (4.49, 9.36, 123.50 ppm): 9 chemical-shift based assignments, quality = 0.825, support = 3.97, residual support = 25.8: O HA LYS+ 60 - HN VAL 61 11.111% * 68.7648% (1.00 10.0 4.00 16.15) = 68.765% kept O HA VAL 61 - HN VAL 61 11.111% * 30.8980% (0.45 10.0 3.94 47.59) = 30.898% kept HA VAL 7 - HN VAL 61 11.111% * 0.0652% (0.95 1.0 0.02 0.02) = 0.065% HA ASN 74 - HN VAL 61 11.111% * 0.0618% (0.90 1.0 0.02 0.02) = 0.062% HA ASN 100 - HN VAL 61 11.111% * 0.0598% (0.87 1.0 0.02 0.02) = 0.060% HA ASN 69 - HN VAL 61 11.111% * 0.0598% (0.87 1.0 0.02 0.02) = 0.060% HA MET 1 - HN VAL 61 11.111% * 0.0598% (0.87 1.0 0.02 0.02) = 0.060% HB2 SER 18 - HN VAL 61 11.111% * 0.0172% (0.25 1.0 0.02 0.02) = 0.017% HA TYR 31 - HN VAL 61 11.111% * 0.0136% (0.20 1.0 0.02 0.02) = 0.014% Peak 1256 (4.49, 7.49, 118.10 ppm): 9 chemical-shift based assignments, quality = 0.945, support = 5.03, residual support = 55.3: O HA LYS+ 60 - HN LYS+ 60 11.111% * 86.3621% (1.00 10.0 5.38 62.55) = 86.362% kept HA VAL 61 - HN LYS+ 60 11.111% * 7.6586% (0.45 1.0 3.95 16.15) = 7.659% kept HA ASN 100 - HN LYS+ 60 11.111% * 5.6310% (0.87 1.0 1.50 1.01) = 5.631% kept HA VAL 7 - HN LYS+ 60 11.111% * 0.0819% (0.95 1.0 0.02 0.02) = 0.082% HA ASN 74 - HN LYS+ 60 11.111% * 0.0776% (0.90 1.0 0.02 0.02) = 0.078% HA ASN 69 - HN LYS+ 60 11.111% * 0.0751% (0.87 1.0 0.02 0.02) = 0.075% HA MET 1 - HN LYS+ 60 11.111% * 0.0751% (0.87 1.0 0.02 0.02) = 0.075% HB2 SER 18 - HN LYS+ 60 11.111% * 0.0216% (0.25 1.0 0.02 0.83) = 0.022% HA TYR 31 - HN LYS+ 60 11.111% * 0.0171% (0.20 1.0 0.02 0.02) = 0.017% Peak 1257 (5.27, 8.87, 122.18 ppm): 5 chemical-shift based assignments, quality = 0.941, support = 3.06, residual support = 7.52: O HA PHE 62 - HN PHE 62 20.000% * 92.4294% (0.97 10.0 3.25 8.11) = 92.429% kept HA VAL 52 - HN PHE 62 20.000% * 2.7335% (0.69 1.0 0.83 0.12) = 2.734% kept HA ARG+ 90 - HN PHE 62 20.000% * 1.9855% (0.45 1.0 0.92 0.68) = 1.985% kept HA THR 39 - HN PHE 62 20.000% * 1.6229% (0.87 1.0 0.39 0.02) = 1.623% kept HA TYR 93 - HN PHE 62 20.000% * 1.2287% (0.61 1.0 0.42 0.02) = 1.229% kept Peak 1258 (5.10, 8.87, 122.18 ppm): 4 chemical-shift based assignments, quality = 0.525, support = 1.41, residual support = 1.16: HA LYS+ 56 - HN PHE 62 25.000% * 41.5254% (0.31 2.48 0.85) = 41.525% kept HA VAL 40 - HN PHE 62 25.000% * 28.4938% (0.90 0.59 2.50) = 28.494% kept HA GLN 83 - HN PHE 62 25.000% * 21.6099% (0.57 0.70 0.43) = 21.610% kept HA1 GLY 66 - HN PHE 62 25.000% * 8.3709% (0.22 0.69 0.02) = 8.371% kept Peak 1259 (4.45, 8.87, 122.18 ppm): 9 chemical-shift based assignments, quality = 0.538, support = 3.33, residual support = 11.1: O HA VAL 61 - HN PHE 62 11.111% * 93.5565% (0.53 10.0 3.53 11.74) = 93.556% kept HB THR 64 - HN PHE 62 11.111% * 5.0517% (0.90 1.0 0.63 2.01) = 5.052% kept HA GLU- 6 - HN PHE 62 11.111% * 0.9940% (0.87 1.0 0.13 0.02) = 0.994% HA TYR 31 - HN PHE 62 11.111% * 0.1485% (0.84 1.0 0.02 0.02) = 0.149% HA TRP 67 - HN PHE 62 11.111% * 0.0866% (0.49 1.0 0.02 0.02) = 0.087% HA1 GLY 98 - HN PHE 62 11.111% * 0.0731% (0.41 1.0 0.02 0.02) = 0.073% HA ASN 100 - HN PHE 62 11.111% * 0.0311% (0.18 1.0 0.02 0.02) = 0.031% HA ASN 69 - HN PHE 62 11.111% * 0.0311% (0.18 1.0 0.02 0.02) = 0.031% HA ASN 74 - HN PHE 62 11.111% * 0.0274% (0.15 1.0 0.02 0.02) = 0.027% Peak 1260 (2.52, 8.87, 122.18 ppm): 5 chemical-shift based assignments, quality = 0.959, support = 2.32, residual support = 7.75: O QB PHE 62 - HN PHE 62 20.000% * 95.2294% (0.97 10.0 2.40 8.11) = 95.229% kept HB2 ARG+ 90 - HN PHE 62 20.000% * 3.6551% (0.98 1.0 0.76 0.68) = 3.655% kept HB3 ASP- 41 - HN PHE 62 20.000% * 1.0300% (0.41 1.0 0.51 0.02) = 1.030% kept HB3 ASN 75 - HN PHE 62 20.000% * 0.0519% (0.53 1.0 0.02 0.02) = 0.052% HG2 GLU- 68 - HN PHE 62 20.000% * 0.0337% (0.34 1.0 0.02 0.02) = 0.034% Peak 1261 (1.70, 8.87, 122.18 ppm): 7 chemical-shift based assignments, quality = 0.816, support = 1.48, residual support = 3.74: QD LYS+ 60 - HN PHE 62 14.286% * 30.3154% (0.99 1.63 0.96) = 30.315% kept HD3 LYS+ 55 - HN PHE 62 14.286% * 29.9051% (0.95 1.69 7.62) = 29.905% kept HB3 LYS+ 55 - HN PHE 62 14.286% * 12.0618% (0.25 2.58 7.62) = 12.062% kept QB GLU- 30 - HN PHE 62 14.286% * 9.9679% (0.84 0.64 0.02) = 9.968% kept HB2 GLU- 23 - HN PHE 62 14.286% * 8.9579% (0.57 0.84 2.70) = 8.958% kept HG LEU 26 - HN PHE 62 14.286% * 4.8117% (0.97 0.27 0.02) = 4.812% kept HG2 PRO 25 - HN PHE 62 14.286% * 3.9802% (0.57 0.38 0.02) = 3.980% kept Peak 1262 (1.38, 8.87, 122.18 ppm): 5 chemical-shift based assignments, quality = 0.477, support = 1.27, residual support = 4.98: QG LYS+ 55 - HN PHE 62 20.000% * 62.2384% (0.53 1.34 7.62) = 62.238% kept HB3 LYS+ 60 - HN PHE 62 20.000% * 23.9493% (0.15 1.76 0.96) = 23.949% kept HG2 ARG+ 88 - HN PHE 62 20.000% * 7.7722% (0.98 0.09 0.02) = 7.772% kept QB ALA 2 - HN PHE 62 20.000% * 4.4127% (0.49 0.10 0.02) = 4.413% kept HG2 LYS+ 17 - HN PHE 62 20.000% * 1.6274% (0.92 0.02 0.02) = 1.627% kept Peak 1263 (1.02, 8.87, 122.18 ppm): 5 chemical-shift based assignments, quality = 0.539, support = 1.37, residual support = 1.38: QG1 VAL 40 - HN PHE 62 20.000% * 31.5814% (0.34 2.04 2.50) = 31.581% kept QG2 THR 91 - HN PHE 62 20.000% * 31.4802% (0.92 0.75 0.28) = 31.480% kept QD1 ILE 38 - HN PHE 62 20.000% * 22.6320% (0.53 0.95 0.98) = 22.632% kept QG2 THR 64 - HN PHE 62 20.000% * 13.9966% (0.15 2.00 2.01) = 13.997% kept HG LEU 76 - HN PHE 62 20.000% * 0.3098% (0.34 0.02 0.02) = 0.310% Peak 1264 (0.75, 8.87, 122.18 ppm): 4 chemical-shift based assignments, quality = 0.617, support = 3.1, residual support = 8.9: QG1 VAL 61 - HN PHE 62 25.000% * 74.3669% (0.57 3.92 11.74) = 74.367% kept QG2 VAL 71 - HN PHE 62 25.000% * 21.0275% (0.73 0.86 0.68) = 21.027% kept QD1 LEU 43 - HN PHE 62 25.000% * 4.3987% (0.99 0.13 0.50) = 4.399% kept QG1 ILE 96 - HN PHE 62 25.000% * 0.2069% (0.31 0.02 0.02) = 0.207% Peak 1265 (0.31, 8.87, 122.18 ppm): 3 chemical-shift based assignments, quality = 0.437, support = 2.27, residual support = 7.11: QD1 LEU 63 - HN PHE 62 33.333% * 48.2173% (0.28 3.37 14.29) = 48.217% kept QG1 VAL 71 - HN PHE 62 33.333% * 27.1906% (0.28 1.90 0.68) = 27.191% kept QG1 VAL 7 - HN PHE 62 33.333% * 24.5921% (0.92 0.52 0.15) = 24.592% kept Peak 1266 (1.92, 9.36, 123.50 ppm): 11 chemical-shift based assignments, quality = 0.704, support = 3.43, residual support = 12.4: HB2 LYS+ 60 - HN VAL 61 9.091% * 72.1929% (0.73 4.41 16.15) = 72.193% kept HB VAL 71 - HN VAL 61 9.091% * 14.6584% (1.00 0.65 4.89) = 14.658% kept HB3 GLU- 59 - HN VAL 61 9.091% * 8.4149% (0.22 1.68 0.25) = 8.415% kept QG PRO 37 - HN VAL 61 9.091% * 3.4224% (0.41 0.37 0.02) = 3.422% kept HB3 GLU- 16 - HN VAL 61 9.091% * 0.3276% (0.73 0.02 1.27) = 0.328% QB GLU- 6 - HN VAL 61 9.091% * 0.3099% (0.69 0.02 0.02) = 0.310% HB2 LYS+ 17 - HN VAL 61 9.091% * 0.2196% (0.49 0.02 3.57) = 0.220% HB3 TYR 31 - HN VAL 61 9.091% * 0.1855% (0.41 0.02 0.02) = 0.185% QB LYS+ 80 - HN VAL 61 9.091% * 0.1004% (0.22 0.02 7.87) = 0.100% HB VAL 7 - HN VAL 61 9.091% * 0.0893% (0.20 0.02 0.02) = 0.089% HB3 ARG+ 53 - HN VAL 61 9.091% * 0.0790% (0.18 0.02 0.69) = 0.079% Peak 1267 (1.74, 9.36, 123.50 ppm): 8 chemical-shift based assignments, quality = 0.387, support = 2.98, residual support = 34.0: O HB VAL 61 - HN VAL 61 12.500% * 70.8345% (0.22 10.0 3.61 47.59) = 70.834% kept HG12 ILE 38 - HN VAL 61 12.500% * 23.5954% (0.92 1.0 1.61 1.02) = 23.595% kept QB GLU- 30 - HN VAL 61 12.500% * 3.4709% (0.20 1.0 1.10 0.02) = 3.471% kept HB2 GLU- 23 - HN VAL 61 12.500% * 1.1571% (0.41 1.0 0.18 0.21) = 1.157% kept HB2 ARG+ 48 - HN VAL 61 12.500% * 0.3119% (0.98 1.0 0.02 0.02) = 0.312% HB3 PRO 25 - HN VAL 61 12.500% * 0.2760% (0.87 1.0 0.02 0.02) = 0.276% HB ILE 14 - HN VAL 61 12.500% * 0.2658% (0.84 1.0 0.02 0.83) = 0.266% HB2 LYS+ 55 - HN VAL 61 12.500% * 0.0885% (0.28 1.0 0.02 2.19) = 0.088% Peak 1268 (1.40, 9.36, 123.50 ppm): 4 chemical-shift based assignments, quality = 0.879, support = 4.1, residual support = 14.3: HB3 LYS+ 60 - HN VAL 61 25.000% * 88.2374% (0.95 4.49 16.15) = 88.237% kept HG13 ILE 38 - HN VAL 61 25.000% * 8.7184% (0.28 1.51 1.02) = 8.718% kept QB ALA 2 - HN VAL 61 25.000% * 1.9771% (0.92 0.10 0.02) = 1.977% kept HG2 ARG+ 88 - HN VAL 61 25.000% * 1.0671% (0.20 0.26 0.02) = 1.067% kept Peak 1269 (1.15, 9.36, 123.50 ppm): 5 chemical-shift based assignments, quality = 0.694, support = 0.646, residual support = 1.73: QG2 VAL 65 - HN VAL 61 20.000% * 55.7115% (0.90 0.62 1.36) = 55.712% kept QG2 ILE 38 - HN VAL 61 20.000% * 27.5750% (0.28 0.99 1.02) = 27.575% kept HB3 LEU 43 - HN VAL 61 20.000% * 13.5982% (0.69 0.20 5.11) = 13.598% kept HG3 ARG+ 48 - HN VAL 61 20.000% * 1.7385% (0.87 0.02 0.02) = 1.739% kept HG3 ARG+ 88 - HN VAL 61 20.000% * 1.3767% (0.69 0.02 0.02) = 1.377% kept Peak 1270 (0.78, 9.36, 123.50 ppm): 6 chemical-shift based assignments, quality = 0.453, support = 2.25, residual support = 22.0: QG2 VAL 61 - HN VAL 61 16.667% * 40.9143% (0.25 3.93 47.59) = 40.914% kept QG2 VAL 71 - HN VAL 61 16.667% * 38.0333% (0.73 1.26 4.89) = 38.033% kept QG2 ILE 96 - HN VAL 61 16.667% * 15.1460% (0.41 0.88 2.32) = 15.146% kept QD1 LEU 43 - HN VAL 61 16.667% * 5.5556% (0.22 0.60 5.11) = 5.556% kept HB2 LEU 76 - HN VAL 61 16.667% * 0.1857% (0.22 0.02 0.39) = 0.186% HG LEU 22 - HN VAL 61 16.667% * 0.1651% (0.20 0.02 0.02) = 0.165% Peak 1271 (4.22, 7.49, 118.10 ppm): 3 chemical-shift based assignments, quality = 0.445, support = 4.64, residual support = 16.3: O HA GLU- 59 - HN LYS+ 60 33.333% * 61.6433% (0.22 10.0 5.69 25.37) = 61.643% kept HD2 PRO 33 - HN LYS+ 60 33.333% * 35.8840% (0.84 1.0 3.10 1.87) = 35.884% kept HA PHE 13 - HN LYS+ 60 33.333% * 2.4728% (0.31 1.0 0.58 0.02) = 2.473% kept Peak 1272 (4.01, 7.49, 118.10 ppm): 6 chemical-shift based assignments, quality = 0.787, support = 2.63, residual support = 5.94: HA1 GLY 58 - HN LYS+ 60 16.667% * 65.5667% (0.76 3.41 8.81) = 65.567% kept HA LYS+ 72 - HN LYS+ 60 16.667% * 28.2880% (0.84 1.35 0.46) = 28.288% kept HB2 SER 15 - HN LYS+ 60 16.667% * 3.3419% (0.73 0.18 0.79) = 3.342% kept HA1 GLY 5 - HN LYS+ 60 16.667% * 2.5859% (1.00 0.10 0.02) = 2.586% kept HA2 GLY 66 - HN LYS+ 60 16.667% * 0.1398% (0.28 0.02 0.17) = 0.140% HA2 GLY 98 - HN LYS+ 60 16.667% * 0.0776% (0.15 0.02 0.02) = 0.078% Peak 1273 (3.62, 7.49, 118.10 ppm): 2 chemical-shift based assignments, quality = 0.745, support = 2.68, residual support = 6.91: HA2 GLY 58 - HN LYS+ 60 50.000% * 56.3743% (0.61 3.41 8.81) = 56.374% kept HD2 PRO 37 - HN LYS+ 60 50.000% * 43.6257% (0.92 1.73 4.44) = 43.626% kept Peak 1274 (2.92, 7.49, 118.10 ppm): 2 chemical-shift based assignments, quality = 0.732, support = 0.387, residual support = 0.267: QB ASN 29 - HN LYS+ 60 50.000% * 94.6561% (0.73 0.41 0.28) = 94.656% kept HB2 TYR 93 - HN LYS+ 60 50.000% * 5.3439% (0.84 0.02 0.02) = 5.344% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1275 (2.18, 7.49, 118.10 ppm): 9 chemical-shift based assignments, quality = 0.504, support = 4.19, residual support = 20.3: HB2 GLU- 59 - HN LYS+ 60 11.111% * 79.7956% (0.49 5.19 25.37) = 79.796% kept HB2 LEU 82 - HN LYS+ 60 11.111% * 5.4410% (0.73 0.24 0.02) = 5.441% kept HB2 PHE 84 - HN LYS+ 60 11.111% * 4.6829% (0.97 0.15 0.02) = 4.683% kept QB GLU- 68 - HN LYS+ 60 11.111% * 3.8572% (0.45 0.27 0.38) = 3.857% kept HB2 GLU- 77 - HN LYS+ 60 11.111% * 2.8713% (0.28 0.33 0.02) = 2.871% kept HB2 MET 101 - HN LYS+ 60 11.111% * 2.7390% (0.22 0.39 0.02) = 2.739% kept HB2 LEU 42 - HN LYS+ 60 11.111% * 0.3324% (0.53 0.02 0.02) = 0.332% QG GLU- 6 - HN LYS+ 60 11.111% * 0.1950% (0.31 0.02 0.02) = 0.195% QG GLN 8 - HN LYS+ 60 11.111% * 0.0855% (0.14 0.02 0.02) = 0.086% Peak 1276 (1.92, 7.49, 118.10 ppm): 11 chemical-shift based assignments, quality = 0.707, support = 5.15, residual support = 50.4: O HB2 LYS+ 60 - HN LYS+ 60 9.091% * 77.4218% (0.73 10.0 5.79 62.55) = 77.422% kept HB VAL 71 - HN LYS+ 60 9.091% * 10.9554% (1.00 1.0 2.06 1.81) = 10.955% kept HB3 GLU- 59 - HN LYS+ 60 9.091% * 6.1586% (0.22 1.0 5.19 25.37) = 6.159% kept QG PRO 37 - HN LYS+ 60 9.091% * 5.1543% (0.41 1.0 2.35 4.44) = 5.154% kept HB3 GLU- 16 - HN LYS+ 60 9.091% * 0.0774% (0.73 1.0 0.02 0.14) = 0.077% QB GLU- 6 - HN LYS+ 60 9.091% * 0.0732% (0.69 1.0 0.02 0.02) = 0.073% HB2 LYS+ 17 - HN LYS+ 60 9.091% * 0.0519% (0.49 1.0 0.02 0.38) = 0.052% HB3 TYR 31 - HN LYS+ 60 9.091% * 0.0438% (0.41 1.0 0.02 0.02) = 0.044% QB LYS+ 80 - HN LYS+ 60 9.091% * 0.0237% (0.22 1.0 0.02 0.16) = 0.024% HB VAL 7 - HN LYS+ 60 9.091% * 0.0211% (0.20 1.0 0.02 0.02) = 0.021% HB3 ARG+ 53 - HN LYS+ 60 9.091% * 0.0187% (0.18 1.0 0.02 0.02) = 0.019% Peak 1277 (1.71, 7.49, 118.10 ppm): 8 chemical-shift based assignments, quality = 0.743, support = 2.71, residual support = 31.0: QD LYS+ 60 - HN LYS+ 60 12.500% * 43.9558% (0.80 3.64 62.55) = 43.956% kept HG12 ILE 38 - HN LYS+ 60 12.500% * 24.4201% (0.49 3.32 12.78) = 24.420% kept QB GLU- 30 - HN LYS+ 60 12.500% * 14.4245% (0.98 0.97 0.65) = 14.424% kept HG LEU 26 - HN LYS+ 60 12.500% * 13.8332% (0.87 1.06 1.92) = 13.833% kept HB2 ARG+ 48 - HN LYS+ 60 12.500% * 2.8632% (0.38 0.51 0.02) = 2.863% kept HB2 GLU- 23 - HN LYS+ 60 12.500% * 0.2914% (0.97 0.02 0.02) = 0.291% HD3 LYS+ 55 - HN LYS+ 60 12.500% * 0.1589% (0.53 0.02 0.02) = 0.159% HG2 PRO 25 - HN LYS+ 60 12.500% * 0.0529% (0.18 0.02 0.02) = 0.053% Peak 1278 (1.41, 7.49, 118.10 ppm): 3 chemical-shift based assignments, quality = 0.876, support = 5.49, residual support = 56.6: O HB3 LYS+ 60 - HN LYS+ 60 33.333% * 88.0891% (0.90 10.0 5.78 62.55) = 88.089% kept HG13 ILE 38 - HN LYS+ 60 33.333% * 11.8631% (0.73 1.0 3.33 12.78) = 11.863% kept QB ALA 2 - HN LYS+ 60 33.333% * 0.0478% (0.49 1.0 0.02 0.02) = 0.048% Peak 1279 (0.90, 7.49, 118.10 ppm): 4 chemical-shift based assignments, quality = 0.814, support = 1.94, residual support = 1.49: QD2 LEU 26 - HN LYS+ 60 25.000% * 50.6501% (0.97 1.95 1.92) = 50.650% kept QD1 ILE 85 - HN LYS+ 60 25.000% * 30.7440% (0.92 1.24 0.52) = 30.744% kept QD1 LEU 26 - HN LYS+ 60 25.000% * 18.4994% (0.22 3.09 1.92) = 18.499% kept QD1 ILE 95 - HN LYS+ 60 25.000% * 0.1064% (0.20 0.02 0.02) = 0.106% Peak 1280 (7.28, 7.49, 118.10 ppm): 2 chemical-shift based assignments, quality = 0.448, support = 3.03, residual support = 7.38: HN SER 49 - HN LYS+ 60 50.000% * 51.0901% (0.45 3.10 5.60) = 51.090% kept HN ILE 14 - HN LYS+ 60 50.000% * 48.9099% (0.45 2.97 9.23) = 48.910% kept Peak 1281 (9.16, 7.49, 118.10 ppm): 1 chemical-shift based assignment, quality = 0.411, support = 0.927, residual support = 0.927: HN TYR 81 - HN LYS+ 60 100.000% *100.0000% (0.41 0.93 0.93) = 100.000% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1282 (9.33, 7.49, 118.10 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 4.5, residual support = 16.2: HN VAL 61 - HN LYS+ 60 100.000% *100.0000% (0.28 4.50 16.15) = 100.000% kept Peak 1283 (9.27, 8.87, 122.18 ppm): 4 chemical-shift based assignments, quality = 0.763, support = 2.96, residual support = 6.69: T HN LYS+ 55 - HN PHE 62 25.000% * 86.9424% (0.76 10.00 3.22 7.62) = 86.942% kept HN LEU 43 - HN PHE 62 25.000% * 7.3139% (0.80 1.00 1.61 0.50) = 7.314% kept HN GLN 83 - HN PHE 62 25.000% * 3.5157% (0.84 1.00 0.74 0.43) = 3.516% kept HN ARG+ 90 - HN PHE 62 25.000% * 2.2280% (0.49 1.00 0.80 0.68) = 2.228% kept Peak 1284 (9.54, 8.90, 120.48 ppm): 2 chemical-shift based assignments, quality = 0.17, support = 0.324, residual support = 0.364: T HN PHE 92 - HN LEU 63 50.000% * 97.0433% (0.18 10.00 0.28 0.36) = 97.043% kept HN PHE 92 - HN ASP- 41 50.000% * 2.9567% (0.01 1.00 1.84 0.50) = 2.957% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1285 (9.30, 8.76, 114.39 ppm): 1 chemical-shift based assignment, quality = 0.647, support = 0.414, residual support = 0.54: HN LEU 43 - HN THR 64 100.000% *100.0000% (0.65 0.41 0.54) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1286 (4.42, 8.93, 125.55 ppm): 5 chemical-shift based assignments, quality = 0.172, support = 2.77, residual support = 10.6: HB THR 64 - HN VAL 65 20.000% * 93.5638% (0.15 2.96 11.28) = 93.564% kept HA1 GLY 98 - HN VAL 65 20.000% * 2.3222% (0.57 0.02 0.02) = 2.322% kept HA TRP 67 - HN VAL 65 20.000% * 1.9965% (0.49 0.02 0.02) = 1.997% kept HA ASN 29 - HN VAL 65 20.000% * 1.3991% (0.34 0.02 0.02) = 1.399% kept HA GLU- 6 - HN VAL 65 20.000% * 0.7183% (0.18 0.02 0.02) = 0.718% Peak 1287 (5.04, 9.37, 117.84 ppm): 4 chemical-shift based assignments, quality = 0.72, support = 1.09, residual support = 0.559: HA VAL 94 - HN GLY 66 25.000% * 65.9226% (0.87 1.34 0.80) = 65.923% kept HA PHE 9 - HN GLY 66 25.000% * 20.2381% (0.56 0.63 0.14) = 20.238% kept HA LEU 63 - HN GLY 66 25.000% * 8.6976% (0.31 0.50 0.02) = 8.698% kept HA LYS+ 80 - HN GLY 66 25.000% * 5.1416% (0.15 0.59 0.02) = 5.142% kept Peak 1288 (6.99, 9.50, 127.32 ppm): 2 chemical-shift based assignments, quality = 0.627, support = 1.32, residual support = 1.42: HN PHE 70 - HN TRP 67 50.000% * 65.4623% (0.45 1.78 1.71) = 65.462% kept HE ARG+ 90 - HN TRP 67 50.000% * 34.5377% (0.97 0.44 0.88) = 34.538% kept Peak 1289 (8.19, 10.45, 130.18 ppm): 5 chemical-shift based assignments, quality = 0.848, support = 2.29, residual support = 6.4: T HN SER 21 - HE1 TRP 67 20.000% * 94.6134% (0.87 10.00 2.36 6.76) = 94.613% kept HN SER 19 - HE1 TRP 67 20.000% * 2.8306% (0.38 1.00 1.38 0.21) = 2.831% kept HN GLU- 6 - HE1 TRP 67 20.000% * 2.4406% (0.69 1.00 0.65 0.14) = 2.441% kept HN ILE 38 - HE1 TRP 67 20.000% * 0.1007% (0.92 1.00 0.02 0.02) = 0.101% HN ILE 96 - HE1 TRP 67 20.000% * 0.0148% (0.14 1.00 0.02 0.02) = 0.015% Peak 1291 (8.01, 7.37, 117.34 ppm): 9 chemical-shift based assignments, quality = 0.685, support = 3.11, residual support = 47.0: HD21 ASN 69 - HN ASN 69 11.111% * 55.6885% (0.65 4.91 82.51) = 55.689% kept HN LEU 26 - HN ASN 69 11.111% * 19.6634% (0.99 1.13 0.35) = 19.663% kept HN ASP- 44 - HN ASN 69 11.111% * 7.9276% (0.76 0.59 0.02) = 7.928% kept HN PHE 28 - HN ASN 69 11.111% * 6.4303% (0.41 0.89 14.93) = 6.430% kept HN SER 18 - HN ASN 69 11.111% * 5.4929% (0.57 0.55 0.02) = 5.493% kept HN ALA 34 - HN ASN 69 11.111% * 1.6976% (0.34 0.28 0.02) = 1.698% kept HN ASP- 87 - HN ASN 69 11.111% * 1.5778% (0.18 0.51 0.02) = 1.578% kept HN ARG+ 48 - HN ASN 69 11.111% * 1.4244% (0.23 0.36 0.14) = 1.424% kept HN THR 4 - HN ASN 69 11.111% * 0.0975% (0.28 0.02 0.02) = 0.097% Peak 1292 (7.11, 8.00, 112.96 ppm): 1 chemical-shift based assignment, quality = 0.86, support = 3.1, residual support = 82.5: O T HD22 ASN 69 - HD21 ASN 69 100.000% *100.0000% (0.86 10.0 10.00 3.10 82.51) = 100.000% kept Peak 1293 (8.02, 7.10, 112.96 ppm): 7 chemical-shift based assignments, quality = 0.726, support = 3.99, residual support = 28.4: T HN PHE 28 - HD22 ASN 69 14.286% * 78.7011% (0.87 1.0 10.00 4.28 14.93) = 78.701% kept O T HD21 ASN 69 - HD22 ASN 69 14.286% * 20.1995% (0.22 10.0 10.00 3.10 82.51) = 20.199% kept HN LEU 26 - HD22 ASN 69 14.286% * 0.5352% (0.65 1.0 1.00 0.18 0.35) = 0.535% HN ASP- 44 - HD22 ASN 69 14.286% * 0.3197% (0.31 1.0 1.00 0.23 0.02) = 0.320% T HN SER 18 - HD22 ASN 69 14.286% * 0.1589% (0.17 1.0 10.00 0.02 0.02) = 0.159% HN ASP- 87 - HD22 ASN 69 14.286% * 0.0514% (0.56 1.0 1.00 0.02 0.02) = 0.051% HN ARG+ 48 - HD22 ASN 69 14.286% * 0.0342% (0.38 1.0 1.00 0.02 0.14) = 0.034% Peak 1294 (8.10, 8.90, 120.48 ppm): 8 chemical-shift based assignments, quality = 0.634, support = 5.67, residual support = 40.1: T HN LEU 22 - HN LEU 63 12.500% * 85.7571% (0.65 10.00 6.31 46.03) = 85.757% kept HN ASP- 89 - HN LEU 63 12.500% * 8.0308% (0.53 1.00 2.30 1.72) = 8.031% kept HN ARG+ 48 - HN LEU 63 12.500% * 3.9478% (0.85 1.00 0.70 0.25) = 3.948% kept HN MET 54 - HN LEU 63 12.500% * 2.2510% (0.15 1.00 2.20 22.10) = 2.251% kept HN ARG+ 48 - HN ASP- 41 12.500% * 0.0052% (0.04 1.00 0.02 0.02) = 0.005% HN LEU 22 - HN ASP- 41 12.500% * 0.0039% (0.03 1.00 0.02 0.02) = 0.004% HN ASP- 89 - HN ASP- 41 12.500% * 0.0032% (0.02 1.00 0.02 0.02) = 0.003% HN MET 54 - HN ASP- 41 12.500% * 0.0009% (0.01 1.00 0.02 0.02) = 0.001% Peak 1295 (7.15, 8.90, 120.48 ppm): 2 chemical-shift based assignments, quality = 0.89, support = 0.702, residual support = 0.831: HN PHE 32 - HN LEU 63 50.000% * 88.5047% (1.00 0.58 0.91) = 88.505% kept HN PHE 32 - HN ASP- 41 50.000% * 11.4953% (0.05 1.64 0.21) = 11.495% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1296 (6.94, 8.90, 120.48 ppm): 2 chemical-shift based assignments, quality = 0.154, support = 0.497, residual support = 0.487: HN PHE 70 - HN LEU 63 50.000% * 99.8152% (0.15 0.50 0.49) = 99.815% kept HN PHE 70 - HN ASP- 41 50.000% * 0.1848% (0.01 0.02 0.02) = 0.185% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1297 (5.27, 8.90, 120.48 ppm): 10 chemical-shift based assignments, quality = 0.922, support = 3.26, residual support = 13.0: O HA PHE 62 - HN LEU 63 10.000% * 86.1785% (0.97 10.0 3.56 14.29) = 86.178% kept HA VAL 52 - HN LEU 63 10.000% * 4.6720% (0.69 1.0 1.52 12.61) = 4.672% kept HA ARG+ 90 - HN LEU 63 10.000% * 3.9965% (0.45 1.0 2.00 1.33) = 3.997% kept HA THR 39 - HN LEU 63 10.000% * 3.4217% (0.87 1.0 0.88 0.24) = 3.422% kept HA TYR 93 - HN LEU 63 10.000% * 1.7167% (0.61 1.0 0.63 0.02) = 1.717% kept HA PHE 62 - HN ASP- 41 10.000% * 0.0040% (0.04 1.0 0.02 0.02) = 0.004% HA THR 39 - HN ASP- 41 10.000% * 0.0036% (0.04 1.0 0.02 0.14) = 0.004% HA VAL 52 - HN ASP- 41 10.000% * 0.0028% (0.03 1.0 0.02 0.28) = 0.003% HA TYR 93 - HN ASP- 41 10.000% * 0.0025% (0.03 1.0 0.02 0.02) = 0.002% HA ARG+ 90 - HN ASP- 41 10.000% * 0.0018% (0.02 1.0 0.02 0.02) = 0.002% Peak 1298 (0.31, 8.90, 120.48 ppm): 6 chemical-shift based assignments, quality = 0.474, support = 4.37, residual support = 86.0: QD1 LEU 63 - HN LEU 63 16.667% * 68.2075% (0.28 6.04 125.82) = 68.207% kept QG1 VAL 7 - HN LEU 63 16.667% * 30.3535% (0.92 0.81 0.61) = 30.353% kept QG1 VAL 71 - HN LEU 63 16.667% * 1.3837% (0.28 0.12 0.02) = 1.384% kept QG1 VAL 7 - HN ASP- 41 16.667% * 0.0345% (0.04 0.02 0.02) = 0.035% QG1 VAL 71 - HN ASP- 41 16.667% * 0.0104% (0.01 0.02 0.53) = 0.010% QD1 LEU 63 - HN ASP- 41 16.667% * 0.0104% (0.01 0.02 0.02) = 0.010% Peak 1299 (0.57, 8.90, 120.48 ppm): 4 chemical-shift based assignments, quality = 0.988, support = 5.23, residual support = 101.2: QD2 LEU 63 - HN LEU 63 25.000% * 69.2057% (0.99 6.30 125.82) = 69.206% kept QD2 LEU 22 - HN LEU 63 25.000% * 30.7742% (0.98 2.83 46.03) = 30.774% kept QD2 LEU 63 - HN ASP- 41 25.000% * 0.0101% (0.05 0.02 0.02) = 0.010% QD2 LEU 22 - HN ASP- 41 25.000% * 0.0100% (0.05 0.02 0.02) = 0.010% Peak 1300 (0.84, 8.90, 120.48 ppm): 8 chemical-shift based assignments, quality = 0.73, support = 1.7, residual support = 4.45: QD1 ILE 14 - HN LEU 63 12.500% * 55.4331% (0.98 1.81 3.04) = 55.433% kept HG13 ILE 24 - HN LEU 63 12.500% * 22.4416% (0.45 1.60 9.34) = 22.442% kept QG2 VAL 40 - HN LEU 63 12.500% * 17.4235% (0.49 1.15 0.80) = 17.424% kept QG2 VAL 40 - HN ASP- 41 12.500% * 2.8559% (0.02 4.08 18.78) = 2.856% kept QD1 ILE 14 - HN ASP- 41 12.500% * 1.6877% (0.05 1.20 0.02) = 1.688% kept QD2 LEU 43 - HN LEU 63 12.500% * 0.1389% (0.22 0.02 0.10) = 0.139% HG13 ILE 24 - HN ASP- 41 12.500% * 0.0129% (0.02 0.02 0.02) = 0.013% QD2 LEU 43 - HN ASP- 41 12.500% * 0.0064% (0.01 0.02 2.71) = 0.006% Peak 1301 (0.98, 8.90, 120.48 ppm): 20 chemical-shift based assignments, quality = 0.715, support = 3.34, residual support = 12.6: QG2 THR 64 - HN LEU 63 5.000% * 54.6037% (0.90 4.69 20.48) = 54.604% kept QG1 VAL 40 - HN LEU 63 5.000% * 16.9864% (0.65 2.02 0.80) = 16.986% kept QG2 ILE 14 - HN LEU 63 5.000% * 10.2277% (0.53 1.50 3.04) = 10.228% kept QD1 ILE 38 - HN LEU 63 5.000% * 7.1385% (0.45 1.23 0.84) = 7.139% kept QG2 VAL 52 - HN LEU 63 5.000% * 3.5818% (0.20 1.40 12.61) = 3.582% kept HG3 LYS+ 56 - HN LEU 63 5.000% * 3.4452% (0.49 0.55 0.50) = 3.445% kept QG1 VAL 40 - HN ASP- 41 5.000% * 2.1061% (0.03 5.45 18.78) = 2.106% kept QD2 LEU 82 - HN LEU 63 5.000% * 1.3872% (0.34 0.31 1.67) = 1.387% kept QG2 ILE 85 - HN LEU 63 5.000% * 0.2594% (1.00 0.02 0.02) = 0.259% HG LEU 76 - HN LEU 63 5.000% * 0.1678% (0.65 0.02 0.22) = 0.168% HB3 ARG+ 48 - HN LEU 63 5.000% * 0.0400% (0.15 0.02 0.25) = 0.040% QG2 ILE 85 - HN ASP- 41 5.000% * 0.0119% (0.05 0.02 0.52) = 0.012% QG2 THR 64 - HN ASP- 41 5.000% * 0.0107% (0.04 0.02 0.02) = 0.011% HG LEU 76 - HN ASP- 41 5.000% * 0.0077% (0.03 0.02 0.45) = 0.008% QG2 ILE 14 - HN ASP- 41 5.000% * 0.0063% (0.02 0.02 0.02) = 0.006% HG3 LYS+ 56 - HN ASP- 41 5.000% * 0.0058% (0.02 0.02 0.46) = 0.006% QD1 ILE 38 - HN ASP- 41 5.000% * 0.0054% (0.02 0.02 0.16) = 0.005% QD2 LEU 82 - HN ASP- 41 5.000% * 0.0041% (0.02 0.02 0.02) = 0.004% QG2 VAL 52 - HN ASP- 41 5.000% * 0.0024% (0.01 0.02 0.28) = 0.002% HB3 ARG+ 48 - HN ASP- 41 5.000% * 0.0018% (0.01 0.02 0.02) = 0.002% Peak 1302 (2.52, 8.90, 120.48 ppm): 10 chemical-shift based assignments, quality = 0.863, support = 3.39, residual support = 11.7: QB PHE 62 - HN LEU 63 10.000% * 66.7572% (0.97 1.0 4.22 14.29) = 66.757% kept HB2 ARG+ 90 - HN LEU 63 10.000% * 19.0091% (0.98 1.0 1.18 1.33) = 19.009% kept HB3 ASP- 41 - HN LEU 63 10.000% * 6.2781% (0.41 1.0 0.93 0.02) = 6.278% kept O HB3 ASP- 41 - HN ASP- 41 10.000% * 6.2053% (0.02 10.0 4.61 30.09) = 6.205% kept HG2 GLU- 68 - HN LEU 63 10.000% * 1.5354% (0.34 1.0 0.27 0.02) = 1.535% kept HB3 ASN 75 - HN LEU 63 10.000% * 0.1724% (0.53 1.0 0.02 0.02) = 0.172% HB2 ARG+ 90 - HN ASP- 41 10.000% * 0.0148% (0.05 1.0 0.02 0.02) = 0.015% QB PHE 62 - HN ASP- 41 10.000% * 0.0146% (0.04 1.0 0.02 0.02) = 0.015% HB3 ASN 75 - HN ASP- 41 10.000% * 0.0079% (0.02 1.0 0.02 0.02) = 0.008% HG2 GLU- 68 - HN ASP- 41 10.000% * 0.0051% (0.02 1.0 0.02 0.02) = 0.005% Peak 1303 (1.30, 8.90, 120.48 ppm): 10 chemical-shift based assignments, quality = 0.557, support = 5.31, residual support = 116.8: O HB3 LEU 63 - HN LEU 63 10.000% * 92.7503% (0.57 10.0 5.66 125.82) = 92.750% kept HG12 ILE 14 - HN LEU 63 10.000% * 2.1784% (0.15 1.0 1.72 3.04) = 2.178% kept QD1 LEU 82 - HN LEU 63 10.000% * 1.7585% (0.28 1.0 0.77 1.67) = 1.758% kept HD2 LYS+ 56 - HN LEU 63 10.000% * 1.6885% (0.49 1.0 0.42 0.50) = 1.689% kept QG2 THR 51 - HN LEU 63 10.000% * 1.6058% (0.97 1.0 0.20 0.02) = 1.606% kept QG2 THR 51 - HN ASP- 41 10.000% * 0.0073% (0.04 1.0 0.02 2.23) = 0.007% HB3 LEU 63 - HN ASP- 41 10.000% * 0.0043% (0.03 1.0 0.02 0.02) = 0.004% HD2 LYS+ 56 - HN ASP- 41 10.000% * 0.0037% (0.02 1.0 0.02 0.46) = 0.004% QD1 LEU 82 - HN ASP- 41 10.000% * 0.0021% (0.01 1.0 0.02 0.02) = 0.002% HG12 ILE 14 - HN ASP- 41 10.000% * 0.0012% (0.01 1.0 0.02 0.02) = 0.001% Peak 1304 (1.40, 8.90, 120.48 ppm): 8 chemical-shift based assignments, quality = 0.861, support = 0.794, residual support = 0.701: HB3 LYS+ 60 - HN LEU 63 12.500% * 79.4654% (0.95 0.94 0.78) = 79.465% kept HG13 ILE 38 - HN LEU 63 12.500% * 8.9929% (0.28 0.36 0.84) = 8.993% kept QB ALA 2 - HN LEU 63 12.500% * 8.4917% (0.92 0.10 0.02) = 8.492% kept HG2 ARG+ 88 - HN LEU 63 12.500% * 2.8573% (0.20 0.16 0.02) = 2.857% kept HB3 LYS+ 60 - HN ASP- 41 12.500% * 0.0777% (0.04 0.02 0.02) = 0.078% QB ALA 2 - HN ASP- 41 12.500% * 0.0759% (0.04 0.02 0.02) = 0.076% HG13 ILE 38 - HN ASP- 41 12.500% * 0.0228% (0.01 0.02 0.16) = 0.023% HG2 ARG+ 88 - HN ASP- 41 12.500% * 0.0163% (0.01 0.02 0.02) = 0.016% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1305 (1.82, 8.90, 120.48 ppm): 14 chemical-shift based assignments, quality = 0.812, support = 1.98, residual support = 5.91: HB ILE 24 - HN LEU 63 7.143% * 39.6932% (0.99 2.52 9.34) = 39.693% kept HG2 ARG+ 53 - HN LEU 63 7.143% * 24.4733% (0.76 2.01 5.12) = 24.473% kept HD3 PRO 25 - HN LEU 63 7.143% * 20.2541% (0.80 1.59 1.08) = 20.254% kept HB3 ARG+ 90 - HN LEU 63 7.143% * 5.5848% (0.41 0.85 1.33) = 5.585% kept HG LEU 42 - HN LEU 63 7.143% * 5.3414% (0.73 0.46 0.02) = 5.341% kept HG LEU 42 - HN ASP- 41 7.143% * 2.2536% (0.03 4.24 29.05) = 2.254% kept QE MET 10 - HN LEU 63 7.143% * 1.2488% (0.53 0.15 0.02) = 1.249% kept HG2 ARG+ 53 - HN ASP- 41 7.143% * 0.6758% (0.04 1.21 0.28) = 0.676% HB3 LYS+ 17 - HN LEU 63 7.143% * 0.4301% (0.34 0.08 0.55) = 0.430% HB ILE 24 - HN ASP- 41 7.143% * 0.0145% (0.05 0.02 0.02) = 0.015% HD3 PRO 25 - HN ASP- 41 7.143% * 0.0117% (0.04 0.02 0.02) = 0.012% QE MET 10 - HN ASP- 41 7.143% * 0.0077% (0.02 0.02 0.02) = 0.008% HB3 ARG+ 90 - HN ASP- 41 7.143% * 0.0060% (0.02 0.02 0.02) = 0.006% HB3 LYS+ 17 - HN ASP- 41 7.143% * 0.0050% (0.02 0.02 0.02) = 0.005% Peak 1306 (2.07, 8.90, 120.48 ppm): 14 chemical-shift based assignments, quality = 0.508, support = 1.42, residual support = 12.9: HG2 MET 54 - HN LEU 63 7.143% * 56.9989% (0.41 2.10 22.10) = 56.999% kept QB ARG+ 88 - HN LEU 63 7.143% * 30.4071% (0.76 0.60 0.02) = 30.407% kept HB3 PRO 37 - HN LEU 63 7.143% * 5.9929% (0.18 0.52 4.31) = 5.993% kept HB2 GLU- 16 - HN LEU 63 7.143% * 3.6827% (0.22 0.25 1.15) = 3.683% kept HG3 GLN 83 - HN LEU 63 7.143% * 1.2186% (0.92 0.02 0.02) = 1.219% kept HB2 LYS+ 11 - HN LEU 63 7.143% * 1.2186% (0.92 0.02 0.02) = 1.219% kept QG PRO 12 - HN LEU 63 7.143% * 0.2613% (0.20 0.02 0.02) = 0.261% HG3 GLN 83 - HN ASP- 41 7.143% * 0.0561% (0.04 0.02 0.02) = 0.056% HB2 LYS+ 11 - HN ASP- 41 7.143% * 0.0561% (0.04 0.02 0.02) = 0.056% QB ARG+ 88 - HN ASP- 41 7.143% * 0.0465% (0.04 0.02 0.02) = 0.046% HG2 MET 54 - HN ASP- 41 7.143% * 0.0250% (0.02 0.02 0.02) = 0.025% HB2 GLU- 16 - HN ASP- 41 7.143% * 0.0135% (0.01 0.02 0.12) = 0.014% QG PRO 12 - HN ASP- 41 7.143% * 0.0120% (0.01 0.02 0.02) = 0.012% HB3 PRO 37 - HN ASP- 41 7.143% * 0.0106% (0.01 0.02 0.02) = 0.011% Peak 1307 (3.49, 8.90, 120.48 ppm): 2 chemical-shift based assignments, quality = 0.198, support = 2.94, residual support = 4.86: HA GLU- 23 - HN LEU 63 50.000% * 99.9687% (0.20 2.94 4.86) = 99.969% kept HA GLU- 23 - HN ASP- 41 50.000% * 0.0313% (0.01 0.02 0.02) = 0.031% Peak 1308 (3.84, 8.90, 120.48 ppm): 10 chemical-shift based assignments, quality = 0.614, support = 1.4, residual support = 1.04: HA SER 15 - HN LEU 63 10.000% * 39.3290% (0.57 1.74 1.16) = 39.329% kept HB3 SER 21 - HN LEU 63 10.000% * 34.9762% (0.49 1.80 1.66) = 34.976% kept HA GLU- 68 - HN LEU 63 10.000% * 14.6841% (0.90 0.41 0.02) = 14.684% kept HA2 GLY 27 - HN LEU 63 10.000% * 10.7090% (0.84 0.32 0.02) = 10.709% kept HA MET 101 - HN LEU 63 10.000% * 0.1235% (0.15 0.02 0.02) = 0.124% HA SER 15 - HN ASP- 41 10.000% * 0.0907% (0.03 0.09 0.02) = 0.091% HA GLU- 68 - HN ASP- 41 10.000% * 0.0331% (0.04 0.02 0.02) = 0.033% HA2 GLY 27 - HN ASP- 41 10.000% * 0.0308% (0.04 0.02 0.02) = 0.031% HB3 SER 21 - HN ASP- 41 10.000% * 0.0179% (0.02 0.02 0.02) = 0.018% HA MET 101 - HN ASP- 41 10.000% * 0.0057% (0.01 0.02 0.02) = 0.006% Peak 1309 (4.11, 8.90, 120.48 ppm): 4 chemical-shift based assignments, quality = 0.239, support = 0.477, residual support = 0.186: HB THR 39 - HN LEU 63 25.000% * 68.5634% (0.20 0.32 0.24) = 68.563% kept HB THR 39 - HN ASP- 41 25.000% * 15.8691% (0.01 1.61 0.14) = 15.869% kept HA GLU- 30 - HN LEU 63 25.000% * 14.8820% (0.69 0.02 0.02) = 14.882% kept HA GLU- 30 - HN ASP- 41 25.000% * 0.6854% (0.03 0.02 0.02) = 0.685% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1310 (5.42, 8.76, 114.39 ppm): 1 chemical-shift based assignment, quality = 0.223, support = 3.24, residual support = 5.2: HA MET 54 - HN THR 64 100.000% *100.0000% (0.22 3.24 5.20) = 100.000% kept Peak 1311 (5.26, 8.76, 114.39 ppm): 5 chemical-shift based assignments, quality = 0.732, support = 1.43, residual support = 2.05: HA THR 39 - HN THR 64 20.000% * 42.7983% (0.97 1.26 1.26) = 42.798% kept HA PHE 62 - HN THR 64 20.000% * 39.4555% (0.57 1.98 2.01) = 39.456% kept HA VAL 52 - HN THR 64 20.000% * 8.5323% (0.25 0.97 4.40) = 8.532% kept HA ARG+ 90 - HN THR 64 20.000% * 7.9551% (0.90 0.25 4.33) = 7.955% kept HA TYR 93 - HN THR 64 20.000% * 1.2588% (0.20 0.18 0.02) = 1.259% kept Peak 1312 (5.02, 8.76, 114.39 ppm): 3 chemical-shift based assignments, quality = 0.986, support = 3.97, residual support = 19.7: O HA LEU 63 - HN THR 64 33.333% * 96.2684% (1.00 10.0 4.10 20.48) = 96.268% kept HA PHE 9 - HN THR 64 33.333% * 2.9641% (0.87 1.0 0.71 0.02) = 2.964% kept HA VAL 94 - HN THR 64 33.333% * 0.7675% (0.57 1.0 0.28 0.02) = 0.767% Peak 1313 (4.72, 8.76, 114.39 ppm): 5 chemical-shift based assignments, quality = 0.674, support = 0.523, residual support = 0.643: HA LYS+ 20 - HN THR 64 20.000% * 53.7768% (0.69 0.72 0.81) = 53.777% kept HA ARG+ 53 - HN THR 64 20.000% * 27.2302% (0.69 0.37 0.75) = 27.230% kept HA HIS 99 - HN THR 64 20.000% * 9.1350% (0.98 0.09 0.02) = 9.135% kept HA PRO 37 - HN THR 64 20.000% * 8.7160% (0.25 0.32 0.02) = 8.716% kept HA ALA 34 - HN THR 64 20.000% * 1.1421% (0.53 0.02 0.02) = 1.142% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1314 (4.48, 8.76, 114.39 ppm): 8 chemical-shift based assignments, quality = 0.671, support = 0.423, residual support = 1.92: HA VAL 7 - HN THR 64 12.500% * 55.1618% (0.53 0.68 2.92) = 55.162% kept HA VAL 61 - HN THR 64 12.500% * 21.2603% (0.90 0.15 1.44) = 21.260% kept HA LYS+ 60 - HN THR 64 12.500% * 11.6102% (0.76 0.10 0.02) = 11.610% kept HA ASN 69 - HN THR 64 12.500% * 2.9662% (0.97 0.02 0.02) = 2.966% kept HA ASN 100 - HN THR 64 12.500% * 2.9662% (0.97 0.02 0.02) = 2.966% kept HA ASN 74 - HN THR 64 12.500% * 2.9075% (0.95 0.02 0.02) = 2.907% kept HA TYR 31 - HN THR 64 12.500% * 1.8642% (0.61 0.02 0.02) = 1.864% kept HA MET 1 - HN THR 64 12.500% * 1.2636% (0.41 0.02 0.02) = 1.264% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1315 (1.98, 8.76, 114.39 ppm): 4 chemical-shift based assignments, quality = 0.818, support = 1.49, residual support = 6.42: HB VAL 65 - HN THR 64 25.000% * 55.0384% (1.00 1.63 11.28) = 55.038% kept HB3 GLN 83 - HN THR 64 25.000% * 24.8297% (0.84 0.88 0.22) = 24.830% kept HB2 LYS+ 20 - HN THR 64 25.000% * 19.9010% (0.31 1.91 0.81) = 19.901% kept HB3 GLU- 77 - HN THR 64 25.000% * 0.2309% (0.34 0.02 0.02) = 0.231% Peak 1316 (1.79, 8.76, 114.39 ppm): 10 chemical-shift based assignments, quality = 0.889, support = 2.72, residual support = 7.69: HG LEU 82 - HN THR 64 10.000% * 34.4164% (1.00 3.81 9.79) = 34.416% kept HD2 LYS+ 55 - HN THR 64 10.000% * 26.4419% (1.00 2.93 12.69) = 26.442% kept HG3 ARG+ 53 - HN THR 64 10.000% * 13.8652% (0.95 1.62 0.75) = 13.865% kept HB3 LYS+ 20 - HN THR 64 10.000% * 13.3768% (0.92 1.60 0.81) = 13.377% kept HB2 LYS+ 55 - HN THR 64 10.000% * 5.5231% (0.25 2.45 12.69) = 5.523% kept HG2 ARG+ 53 - HN THR 64 10.000% * 3.1783% (0.25 1.41 0.75) = 3.178% kept HB VAL 61 - HN THR 64 10.000% * 1.6334% (0.31 0.59 1.44) = 1.633% kept HB ILE 95 - HN THR 64 10.000% * 0.8519% (0.49 0.19 0.02) = 0.852% HG LEU 42 - HN THR 64 10.000% * 0.5959% (0.28 0.24 0.02) = 0.596% HB3 LYS+ 17 - HN THR 64 10.000% * 0.1169% (0.65 0.02 0.02) = 0.117% Peak 1317 (1.00, 8.76, 114.39 ppm): 6 chemical-shift based assignments, quality = 0.709, support = 2.69, residual support = 6.7: QG2 THR 64 - HN THR 64 16.667% * 39.7180% (0.53 4.32 9.80) = 39.718% kept QD1 ILE 38 - HN THR 64 16.667% * 31.5169% (0.95 1.91 6.58) = 31.517% kept QG1 VAL 40 - HN THR 64 16.667% * 20.3556% (0.80 1.45 3.21) = 20.356% kept QG2 THR 91 - HN THR 64 16.667% * 8.0324% (0.49 0.94 1.02) = 8.032% kept HG LEU 76 - HN THR 64 16.667% * 0.2799% (0.80 0.02 0.02) = 0.280% QG2 ILE 85 - HN THR 64 16.667% * 0.0972% (0.28 0.02 0.51) = 0.097% Peak 1318 (0.31, 8.76, 114.39 ppm): 3 chemical-shift based assignments, quality = 0.68, support = 2.85, residual support = 9.49: QG1 VAL 7 - HN THR 64 33.333% * 62.3662% (0.92 2.08 2.92) = 62.366% kept QD1 LEU 63 - HN THR 64 33.333% * 37.4532% (0.28 4.15 20.48) = 37.453% kept QG1 VAL 71 - HN THR 64 33.333% * 0.1805% (0.28 0.02 0.02) = 0.181% Peak 1319 (0.57, 8.76, 114.39 ppm): 2 chemical-shift based assignments, quality = 0.989, support = 3.6, residual support = 17.3: QD2 LEU 63 - HN THR 64 50.000% * 78.5700% (0.99 4.26 20.48) = 78.570% kept QD2 LEU 22 - HN THR 64 50.000% * 21.4300% (0.98 1.18 5.48) = 21.430% kept Peak 1320 (1.27, 8.76, 114.39 ppm): 4 chemical-shift based assignments, quality = 0.544, support = 3.43, residual support = 11.6: QD1 LEU 82 - HN THR 64 25.000% * 45.3875% (0.73 3.77 9.79) = 45.388% kept HB3 LEU 63 - HN THR 64 25.000% * 26.3579% (0.41 3.87 20.48) = 26.358% kept HD2 LYS+ 56 - HN THR 64 25.000% * 15.0369% (0.49 1.86 3.30) = 15.037% kept HB3 LEU 82 - HN THR 64 25.000% * 13.2176% (0.25 3.20 9.79) = 13.218% kept Peak 1321 (3.87, 8.93, 125.55 ppm): 6 chemical-shift based assignments, quality = 0.324, support = 3.62, residual support = 36.5: O HA VAL 65 - HN VAL 65 16.667% * 77.5011% (0.20 10.0 4.47 46.86) = 77.501% kept HA SER 15 - HN VAL 65 16.667% * 15.3112% (0.87 1.0 0.90 0.17) = 15.311% kept HA GLU- 68 - HN VAL 65 16.667% * 3.5511% (0.53 1.0 0.34 3.03) = 3.551% kept HA2 GLY 27 - HN VAL 65 16.667% * 3.2057% (0.61 1.0 0.27 0.02) = 3.206% kept HA MET 101 - HN VAL 65 16.667% * 0.3705% (0.95 1.0 0.02 0.02) = 0.370% QD PRO 12 - HN VAL 65 16.667% * 0.0604% (0.15 1.0 0.02 0.02) = 0.060% Peak 1322 (1.98, 8.93, 125.55 ppm): 4 chemical-shift based assignments, quality = 0.992, support = 3.11, residual support = 46.6: O HB VAL 65 - HN VAL 65 25.000% * 99.4396% (1.00 10.0 3.13 46.86) = 99.440% kept HB3 GLN 83 - HN VAL 65 25.000% * 0.4957% (0.84 1.0 0.12 0.02) = 0.496% HB3 GLU- 77 - HN VAL 65 25.000% * 0.0340% (0.34 1.0 0.02 0.02) = 0.034% HB2 LYS+ 20 - HN VAL 65 25.000% * 0.0308% (0.31 1.0 0.02 0.15) = 0.031% Peak 1323 (1.80, 8.93, 125.55 ppm): 8 chemical-shift based assignments, quality = 0.689, support = 0.929, residual support = 0.792: HG3 ARG+ 53 - HN VAL 65 12.500% * 33.8888% (0.53 1.57 1.28) = 33.889% kept HG2 ARG+ 53 - HN VAL 65 12.500% * 24.9905% (0.69 0.89 1.28) = 24.990% kept HB3 LYS+ 17 - HN VAL 65 12.500% * 23.0119% (0.99 0.57 0.15) = 23.012% kept HD2 LYS+ 55 - HN VAL 65 12.500% * 10.0424% (0.69 0.36 0.02) = 10.042% kept HG LEU 82 - HN VAL 65 12.500% * 4.2352% (0.73 0.14 0.02) = 4.235% kept HB ILE 24 - HN VAL 65 12.500% * 1.6964% (0.22 0.19 0.02) = 1.696% kept HB3 LYS+ 20 - HN VAL 65 12.500% * 1.5383% (0.49 0.08 0.15) = 1.538% kept HG LEU 42 - HN VAL 65 12.500% * 0.5965% (0.73 0.02 0.02) = 0.596% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1324 (0.98, 8.93, 125.55 ppm): 10 chemical-shift based assignments, quality = 0.691, support = 2.13, residual support = 6.24: QG2 THR 64 - HN VAL 65 10.000% * 47.6452% (0.90 2.66 11.28) = 47.645% kept QG1 VAL 40 - HN VAL 65 10.000% * 28.5381% (0.65 2.21 2.79) = 28.538% kept QD1 ILE 38 - HN VAL 65 10.000% * 8.9665% (0.45 1.00 0.11) = 8.967% kept QG2 VAL 52 - HN VAL 65 10.000% * 6.8430% (0.20 1.73 0.92) = 6.843% kept QD2 LEU 82 - HN VAL 65 10.000% * 3.8830% (0.34 0.57 0.02) = 3.883% kept HG3 LYS+ 56 - HN VAL 65 10.000% * 2.5715% (0.49 0.26 0.02) = 2.572% kept QG2 ILE 14 - HN VAL 65 10.000% * 0.8324% (0.53 0.08 0.02) = 0.832% QG2 ILE 85 - HN VAL 65 10.000% * 0.3998% (1.00 0.02 0.02) = 0.400% HG LEU 76 - HN VAL 65 10.000% * 0.2587% (0.65 0.02 0.02) = 0.259% HB3 ARG+ 48 - HN VAL 65 10.000% * 0.0617% (0.15 0.02 0.02) = 0.062% Peak 1325 (1.20, 8.93, 125.55 ppm): 7 chemical-shift based assignments, quality = 0.764, support = 1.22, residual support = 9.22: QE MET 54 - HN VAL 65 14.286% * 31.6453% (0.90 1.05 0.39) = 31.645% kept QG2 THR 39 - HN VAL 65 14.286% * 22.4470% (0.98 0.68 0.69) = 22.447% kept QG1 VAL 65 - HN VAL 65 14.286% * 19.0696% (0.18 3.25 46.86) = 19.070% kept QG2 THR 4 - HN VAL 65 14.286% * 14.8273% (0.97 0.46 0.02) = 14.827% kept HG3 GLU- 23 - HN VAL 65 14.286% * 9.9102% (0.73 0.41 0.02) = 9.910% kept HD3 LYS+ 56 - HN VAL 65 14.286% * 1.8940% (0.61 0.09 0.02) = 1.894% kept HB3 LEU 42 - HN VAL 65 14.286% * 0.2066% (0.31 0.02 0.02) = 0.207% Peak 1326 (4.50, 9.37, 117.84 ppm): 8 chemical-shift based assignments, quality = 0.699, support = 0.204, residual support = 0.0866: HA LYS+ 60 - HN GLY 66 12.500% * 43.3594% (0.69 0.32 0.17) = 43.359% kept HB2 SER 18 - HN GLY 66 12.500% * 20.7696% (0.69 0.15 0.02) = 20.770% kept HA VAL 7 - HN GLY 66 12.500% * 19.8300% (0.89 0.11 0.02) = 19.830% kept HA LEU 22 - HN GLY 66 12.500% * 7.2790% (0.34 0.11 0.02) = 7.279% kept HA MET 1 - HN GLY 66 12.500% * 3.7824% (0.96 0.02 0.02) = 3.782% kept HA ASN 74 - HN GLY 66 12.500% * 1.7571% (0.45 0.02 0.02) = 1.757% kept HA ASN 100 - HN GLY 66 12.500% * 1.6113% (0.41 0.02 0.02) = 1.611% kept HA ASN 69 - HN GLY 66 12.500% * 1.6113% (0.41 0.02 0.02) = 1.611% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1327 (4.00, 9.37, 117.84 ppm): 4 chemical-shift based assignments, quality = 0.929, support = 0.0589, residual support = 0.02: HB2 SER 15 - HN GLY 66 25.000% * 65.8388% (1.00 0.08 0.02) = 65.839% kept HA LYS+ 72 - HN GLY 66 25.000% * 16.3096% (0.98 0.02 0.02) = 16.310% kept HA1 GLY 5 - HN GLY 66 25.000% * 12.7160% (0.76 0.02 0.02) = 12.716% kept HA1 GLY 58 - HN GLY 66 25.000% * 5.1356% (0.31 0.02 0.02) = 5.136% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1328 (3.88, 9.37, 117.84 ppm): 7 chemical-shift based assignments, quality = 0.598, support = 2.04, residual support = 5.36: O HA VAL 65 - HN GLY 66 14.286% * 97.1796% (0.61 10.0 2.08 5.52) = 97.180% kept HA SER 15 - HN GLY 66 14.286% * 2.4701% (0.41 1.0 0.75 0.02) = 2.470% kept HA MET 101 - HN GLY 66 14.286% * 0.1437% (0.89 1.0 0.02 0.02) = 0.144% QD PRO 12 - HN GLY 66 14.286% * 0.0843% (0.52 1.0 0.02 0.02) = 0.084% HB2 SER 21 - HN GLY 66 14.286% * 0.0659% (0.41 1.0 0.02 0.02) = 0.066% HA2 GLY 27 - HN GLY 66 14.286% * 0.0317% (0.20 1.0 0.02 0.02) = 0.032% HA GLU- 68 - HN GLY 66 14.286% * 0.0247% (0.15 1.0 0.02 1.86) = 0.025% Peak 1329 (1.15, 9.37, 117.84 ppm): 5 chemical-shift based assignments, quality = 0.872, support = 2.38, residual support = 5.18: QG2 VAL 65 - HN GLY 66 20.000% * 93.8772% (0.89 2.52 5.52) = 93.877% kept HB3 LEU 43 - HN GLY 66 20.000% * 4.6029% (0.69 0.16 0.02) = 4.603% kept HG3 ARG+ 48 - HN GLY 66 20.000% * 0.7195% (0.87 0.02 0.02) = 0.720% HG3 ARG+ 88 - HN GLY 66 20.000% * 0.5698% (0.69 0.02 0.02) = 0.570% QG2 ILE 38 - HN GLY 66 20.000% * 0.2306% (0.28 0.02 0.02) = 0.231% Peak 1330 (7.37, 9.50, 127.32 ppm): 1 chemical-shift based assignment, quality = 0.897, support = 2.5, residual support = 4.83: HN ASN 69 - HN TRP 67 100.000% *100.0000% (0.90 2.50 4.83) = 100.000% kept Peak 1331 (4.75, 9.50, 127.32 ppm): 6 chemical-shift based assignments, quality = 0.68, support = 0.575, residual support = 0.255: HA ILE 85 - HN TRP 67 16.667% * 50.7943% (1.00 0.48 0.36) = 50.794% kept HA ARG+ 53 - HN TRP 67 16.667% * 31.1593% (0.31 0.95 0.22) = 31.159% kept HA LYS+ 20 - HN TRP 67 16.667% * 9.9963% (0.31 0.30 0.02) = 9.996% kept HA ALA 34 - HN TRP 67 16.667% * 5.5945% (0.45 0.12 0.02) = 5.595% kept HA LYS+ 55 - HN TRP 67 16.667% * 2.1267% (1.00 0.02 0.02) = 2.127% kept HA THR 64 - HN TRP 67 16.667% * 0.3289% (0.15 0.02 0.02) = 0.329% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1332 (5.05, 9.50, 127.32 ppm): 5 chemical-shift based assignments, quality = 0.338, support = 2.14, residual support = 2.02: O HA1 GLY 66 - HN TRP 67 20.000% * 97.0321% (0.34 10.0 2.20 2.08) = 97.032% kept HA PHE 9 - HN TRP 67 20.000% * 1.6771% (0.18 1.0 0.67 0.02) = 1.677% kept HA VAL 94 - HN TRP 67 20.000% * 1.0702% (0.41 1.0 0.18 0.02) = 1.070% kept HA LYS+ 80 - HN TRP 67 20.000% * 0.1497% (0.53 1.0 0.02 0.02) = 0.150% HA LYS+ 56 - HN TRP 67 20.000% * 0.0709% (0.25 1.0 0.02 0.02) = 0.071% Peak 1333 (5.25, 9.50, 127.32 ppm): 4 chemical-shift based assignments, quality = 0.882, support = 0.132, residual support = 0.772: HA ARG+ 90 - HN TRP 67 25.000% * 87.8623% (0.95 0.15 0.88) = 87.862% kept HA THR 39 - HN TRP 67 25.000% * 7.1290% (0.57 0.02 0.02) = 7.129% kept HA PHE 32 - HN TRP 67 25.000% * 2.8034% (0.22 0.02 0.02) = 2.803% kept HA PHE 62 - HN TRP 67 25.000% * 2.2053% (0.18 0.02 0.02) = 2.205% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1334 (4.43, 9.50, 127.32 ppm): 4 chemical-shift based assignments, quality = 0.921, support = 2.63, residual support = 29.7: O HA TRP 67 - HN TRP 67 25.000% * 99.7776% (0.92 10.0 2.63 29.80) = 99.778% kept HA1 GLY 98 - HN TRP 67 25.000% * 0.1043% (0.97 1.0 0.02 0.02) = 0.104% HA GLU- 6 - HN TRP 67 25.000% * 0.0612% (0.57 1.0 0.02 0.14) = 0.061% HB THR 64 - HN TRP 67 25.000% * 0.0569% (0.53 1.0 0.02 0.02) = 0.057% Peak 1335 (3.46, 9.50, 127.32 ppm): 3 chemical-shift based assignments, quality = 0.835, support = 2.63, residual support = 29.8: O HB2 TRP 67 - HN TRP 67 33.333% * 99.9161% (0.84 10.0 2.63 29.80) = 99.916% kept HB2 TRP 50 - HN TRP 67 33.333% * 0.0629% (0.53 1.0 0.02 0.02) = 0.063% HA ILE 24 - HN TRP 67 33.333% * 0.0209% (0.18 1.0 0.02 0.02) = 0.021% Peak 1336 (3.10, 9.50, 127.32 ppm): 4 chemical-shift based assignments, quality = 0.431, support = 2.49, residual support = 28.6: O HB3 TRP 67 - HN TRP 67 25.000% * 96.0229% (0.41 10.0 2.58 29.80) = 96.023% kept HB2 PHE 9 - HN TRP 67 25.000% * 3.7446% (0.98 1.0 0.33 0.02) = 3.745% kept HB2 PHE 92 - HN TRP 67 25.000% * 0.1604% (0.69 1.0 0.02 0.02) = 0.160% QB PHE 32 - HN TRP 67 25.000% * 0.0721% (0.31 1.0 0.02 0.02) = 0.072% Peak 1337 (1.08, 9.50, 127.32 ppm): 4 chemical-shift based assignments, quality = 0.917, support = 3.29, residual support = 16.9: QG1 VAL 52 - HN TRP 67 25.000% * 86.9298% (0.97 3.65 19.44) = 86.930% kept HG13 ILE 85 - HN TRP 67 25.000% * 12.8259% (0.61 0.86 0.36) = 12.826% kept HG2 LYS+ 56 - HN TRP 67 25.000% * 0.1682% (0.34 0.02 0.02) = 0.168% HG12 ILE 24 - HN TRP 67 25.000% * 0.0761% (0.15 0.02 0.02) = 0.076% Peak 1338 (2.17, 9.50, 127.32 ppm): 6 chemical-shift based assignments, quality = 0.921, support = 0.383, residual support = 0.6: HB2 LEU 82 - HN TRP 67 16.667% * 63.0519% (1.00 0.48 0.85) = 63.052% kept HB2 PHE 84 - HN TRP 67 16.667% * 29.5583% (0.87 0.26 0.22) = 29.558% kept HB2 LEU 42 - HN TRP 67 16.667% * 3.2995% (0.15 0.16 0.02) = 3.300% kept HB2 GLU- 59 - HN TRP 67 16.667% * 2.4436% (0.92 0.02 0.02) = 2.444% kept QG GLN 8 - HN TRP 67 16.667% * 1.2885% (0.49 0.02 0.02) = 1.288% kept HB2 ASN 74 - HN TRP 67 16.667% * 0.3582% (0.14 0.02 0.02) = 0.358% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1339 (7.18, 10.45, 130.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1340 (7.06, 10.45, 130.18 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 1.85, residual support = 1.85: HN LYS+ 17 - HE1 TRP 67 100.000% *100.0000% (0.92 1.85 1.85) = 100.000% kept Peak 1341 (6.38, 10.45, 130.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1342 (5.98, 10.45, 130.18 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 2.47, residual support = 5.05: HA SER 18 - HE1 TRP 67 100.000% *100.0000% (0.73 2.47 5.05) = 100.000% kept Peak 1343 (4.50, 10.45, 130.18 ppm): 8 chemical-shift based assignments, quality = 0.654, support = 2.03, residual support = 3.92: HB2 SER 18 - HE1 TRP 67 12.500% * 41.5310% (0.69 2.51 5.05) = 41.531% kept HA VAL 7 - HE1 TRP 67 12.500% * 24.0620% (0.90 1.12 1.30) = 24.062% kept HA LEU 22 - HE1 TRP 67 12.500% * 23.7897% (0.34 2.90 6.03) = 23.790% kept HA LYS+ 60 - HE1 TRP 67 12.500% * 6.4227% (0.69 0.39 0.02) = 6.423% kept HA MET 1 - HE1 TRP 67 12.500% * 2.2305% (0.97 0.10 0.02) = 2.230% kept HA ASN 69 - HE1 TRP 67 12.500% * 1.5507% (0.41 0.16 4.83) = 1.551% kept HA ASN 74 - HE1 TRP 67 12.500% * 0.2157% (0.45 0.02 0.02) = 0.216% HA ASN 100 - HE1 TRP 67 12.500% * 0.1978% (0.41 0.02 0.02) = 0.198% Peak 1344 (4.96, 10.45, 130.18 ppm): 2 chemical-shift based assignments, quality = 0.934, support = 1.74, residual support = 5.46: HA SER 21 - HE1 TRP 67 50.000% * 80.2360% (0.92 2.05 6.76) = 80.236% kept HA PHE 84 - HE1 TRP 67 50.000% * 19.7640% (0.98 0.48 0.22) = 19.764% kept Peak 1345 (3.84, 10.45, 130.18 ppm): 5 chemical-shift based assignments, quality = 0.661, support = 2.0, residual support = 8.13: HB3 SER 21 - HE1 TRP 67 20.000% * 54.6798% (0.49 2.71 6.76) = 54.680% kept HA GLU- 68 - HE1 TRP 67 20.000% * 44.0307% (0.90 1.18 10.08) = 44.031% kept HA2 GLY 27 - HE1 TRP 67 20.000% * 0.6924% (0.84 0.02 0.02) = 0.692% HA SER 15 - HE1 TRP 67 20.000% * 0.4693% (0.57 0.02 0.02) = 0.469% HA MET 101 - HE1 TRP 67 20.000% * 0.1279% (0.15 0.02 0.02) = 0.128% Peak 1346 (3.17, 10.45, 130.18 ppm): 6 chemical-shift based assignments, quality = 0.322, support = 2.12, residual support = 4.72: HB3 SER 18 - HE1 TRP 67 16.667% * 93.1689% (0.31 2.27 5.05) = 93.169% kept QB HIS 99 - HE1 TRP 67 16.667% * 1.9296% (0.73 0.02 0.02) = 1.930% kept HD3 ARG+ 90 - HE1 TRP 67 16.667% * 1.5045% (0.57 0.02 0.88) = 1.504% kept HB3 TYR 86 - HE1 TRP 67 16.667% * 1.3981% (0.53 0.02 0.02) = 1.398% kept HD2 ARG+ 48 - HE1 TRP 67 16.667% * 1.0925% (0.41 0.02 0.02) = 1.092% kept HB2 PHE 13 - HE1 TRP 67 16.667% * 0.9064% (0.34 0.02 0.02) = 0.906% Peak 1347 (1.73, 10.45, 130.18 ppm): 9 chemical-shift based assignments, quality = 0.755, support = 1.3, residual support = 1.02: HB2 GLU- 23 - HE1 TRP 67 11.111% * 64.2677% (0.87 1.81 1.58) = 64.268% kept HB2 ARG+ 48 - HE1 TRP 67 11.111% * 12.5689% (0.84 0.37 0.02) = 12.569% kept QD LYS+ 60 - HE1 TRP 67 11.111% * 7.9686% (0.34 0.57 0.02) = 7.969% kept QB GLU- 30 - HE1 TRP 67 11.111% * 6.8350% (0.61 0.28 0.02) = 6.835% kept HG LEU 26 - HE1 TRP 67 11.111% * 5.0627% (0.41 0.30 0.02) = 5.063% kept HD3 LYS+ 55 - HE1 TRP 67 11.111% * 1.8981% (0.15 0.30 0.02) = 1.898% kept HG12 ILE 38 - HE1 TRP 67 11.111% * 0.7555% (0.92 0.02 0.02) = 0.755% HB3 PRO 25 - HE1 TRP 67 11.111% * 0.3365% (0.41 0.02 0.02) = 0.336% HB ILE 14 - HE1 TRP 67 11.111% * 0.3072% (0.38 0.02 0.02) = 0.307% Peak 1348 (1.46, 10.45, 130.18 ppm): 6 chemical-shift based assignments, quality = 0.833, support = 1.44, residual support = 0.857: HB3 GLU- 23 - HE1 TRP 67 16.667% * 44.5354% (0.90 2.07 1.58) = 44.535% kept HG3 LYS+ 72 - HE1 TRP 67 16.667% * 24.4144% (1.00 1.02 0.19) = 24.414% kept HB3 PHE 84 - HE1 TRP 67 16.667% * 16.7548% (0.69 1.02 0.22) = 16.755% kept HB2 LEU 63 - HE1 TRP 67 16.667% * 10.5692% (0.61 0.73 0.68) = 10.569% kept HG2 ARG+ 48 - HE1 TRP 67 16.667% * 3.4743% (0.31 0.47 0.02) = 3.474% kept HB3 ASN 74 - HE1 TRP 67 16.667% * 0.2519% (0.53 0.02 0.02) = 0.252% Peak 1349 (0.75, 10.45, 130.18 ppm): 4 chemical-shift based assignments, quality = 0.701, support = 1.59, residual support = 2.92: QG2 VAL 71 - HE1 TRP 67 25.000% * 82.0933% (0.73 1.85 3.54) = 82.093% kept QG1 VAL 61 - HE1 TRP 67 25.000% * 16.3161% (0.57 0.47 0.12) = 16.316% kept QD1 LEU 43 - HE1 TRP 67 25.000% * 1.2129% (0.99 0.02 0.02) = 1.213% kept QG1 ILE 96 - HE1 TRP 67 25.000% * 0.3777% (0.31 0.02 0.02) = 0.378% Peak 1350 (0.58, 10.45, 130.18 ppm): 2 chemical-shift based assignments, quality = 0.798, support = 1.83, residual support = 4.96: QD2 LEU 22 - HE1 TRP 67 50.000% * 80.0086% (0.84 2.12 6.03) = 80.009% kept QD2 LEU 63 - HE1 TRP 67 50.000% * 19.9914% (0.65 0.68 0.68) = 19.991% kept Peak 1351 (0.32, 10.45, 130.18 ppm): 4 chemical-shift based assignments, quality = 0.813, support = 1.72, residual support = 1.94: QG1 VAL 7 - HE1 TRP 67 25.000% * 49.1527% (0.92 2.04 1.30) = 49.153% kept QG1 VAL 71 - HE1 TRP 67 25.000% * 33.9769% (0.73 1.79 3.54) = 33.977% kept QD1 LEU 63 - HE1 TRP 67 25.000% * 14.1690% (0.73 0.75 0.68) = 14.169% kept QD1 ILE 24 - HE1 TRP 67 25.000% * 2.7015% (0.34 0.30 0.02) = 2.701% kept Peak 1352 (-0.49, 10.45, 130.18 ppm): 1 chemical-shift based assignment, quality = 0.566, support = 2.22, residual support = 6.03: HB3 LEU 22 - HE1 TRP 67 100.000% *100.0000% (0.57 2.22 6.03) = 100.000% kept Peak 1353 (7.40, 9.41, 117.56 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1354 (7.01, 9.41, 117.56 ppm): 1 chemical-shift based assignment, quality = 0.175, support = 1.28, residual support = 1.41: HE ARG+ 90 - HN GLU- 68 100.000% *100.0000% (0.18 1.28 1.41) = 100.000% kept Not enough quality. Peak unassigned. Peak 1355 (6.37, 9.41, 117.56 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1356 (5.01, 9.41, 117.56 ppm): 3 chemical-shift based assignments, quality = 0.413, support = 0.636, residual support = 0.829: HA PHE 9 - HN GLU- 68 33.333% * 91.2761% (0.41 0.69 0.91) = 91.276% kept HA LEU 63 - HN GLU- 68 33.333% * 4.4043% (0.69 0.02 0.02) = 4.404% kept HA VAL 94 - HN GLU- 68 33.333% * 4.3196% (0.18 0.08 0.02) = 4.320% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1357 (4.44, 9.41, 117.56 ppm): 6 chemical-shift based assignments, quality = 0.924, support = 3.9, residual support = 9.5: O HA TRP 67 - HN GLU- 68 16.667% * 94.2135% (0.92 10.0 4.10 10.08) = 94.213% kept HB THR 64 - HN GLU- 68 16.667% * 2.8232% (0.95 1.0 0.58 0.02) = 2.823% kept HA GLU- 6 - HN GLU- 68 16.667% * 2.8207% (0.97 1.0 0.57 0.02) = 2.821% kept HA1 GLY 98 - HN GLU- 68 16.667% * 0.0885% (0.87 1.0 0.02 0.02) = 0.089% HA TYR 31 - HN GLU- 68 16.667% * 0.0383% (0.38 1.0 0.02 0.02) = 0.038% HA VAL 61 - HN GLU- 68 16.667% * 0.0157% (0.15 1.0 0.02 0.02) = 0.016% Peak 1358 (3.84, 9.41, 117.56 ppm): 5 chemical-shift based assignments, quality = 0.895, support = 4.27, residual support = 29.1: O HA GLU- 68 - HN GLU- 68 20.000% * 99.7728% (0.90 10.0 4.28 29.14) = 99.773% kept HA2 GLY 27 - HN GLU- 68 20.000% * 0.0929% (0.84 1.0 0.02 0.02) = 0.093% HA SER 15 - HN GLU- 68 20.000% * 0.0630% (0.57 1.0 0.02 0.02) = 0.063% HB3 SER 21 - HN GLU- 68 20.000% * 0.0542% (0.49 1.0 0.02 2.14) = 0.054% HA MET 101 - HN GLU- 68 20.000% * 0.0172% (0.15 1.0 0.02 0.02) = 0.017% Peak 1359 (3.47, 9.41, 117.56 ppm): 2 chemical-shift based assignments, quality = 0.374, support = 3.43, residual support = 10.1: HB2 TRP 67 - HN GLU- 68 50.000% * 99.7614% (0.38 3.44 10.08) = 99.761% kept HB2 TRP 50 - HN GLU- 68 50.000% * 0.2386% (0.15 0.02 0.02) = 0.239% Peak 1360 (3.10, 9.41, 117.56 ppm): 4 chemical-shift based assignments, quality = 0.618, support = 2.44, residual support = 6.59: HB3 TRP 67 - HN GLU- 68 25.000% * 62.0525% (0.41 3.43 10.08) = 62.052% kept HB2 PHE 9 - HN GLU- 68 25.000% * 37.0706% (0.98 0.86 0.91) = 37.071% kept HB2 PHE 92 - HN GLU- 68 25.000% * 0.6051% (0.69 0.02 0.02) = 0.605% QB PHE 32 - HN GLU- 68 25.000% * 0.2719% (0.31 0.02 0.02) = 0.272% Peak 1361 (2.39, 9.41, 117.56 ppm): 4 chemical-shift based assignments, quality = 0.877, support = 2.72, residual support = 19.4: HG3 GLU- 68 - HN GLU- 68 25.000% * 62.5188% (0.97 3.50 29.14) = 62.519% kept HB2 GLN 8 - HN GLU- 68 25.000% * 22.9359% (0.61 2.04 4.95) = 22.936% kept HB3 ASP- 89 - HN GLU- 68 25.000% * 8.8744% (0.90 0.53 0.02) = 8.874% kept HE3 LYS+ 56 - HN GLU- 68 25.000% * 5.6709% (0.97 0.32 0.02) = 5.671% kept Peak 1362 (2.18, 9.41, 117.56 ppm): 9 chemical-shift based assignments, quality = 0.448, support = 3.4, residual support = 27.6: O QB GLU- 68 - HN GLU- 68 11.111% * 94.3982% (0.45 10.0 3.56 29.14) = 94.398% kept QG GLN 8 - HN GLU- 68 11.111% * 2.3313% (0.14 1.0 1.64 4.95) = 2.331% kept HB2 LEU 82 - HN GLU- 68 11.111% * 1.4686% (0.73 1.0 0.19 0.02) = 1.469% kept HB2 PHE 84 - HN GLU- 68 11.111% * 1.0944% (0.97 1.0 0.11 0.51) = 1.094% kept HB2 LEU 42 - HN GLU- 68 11.111% * 0.4346% (0.53 1.0 0.08 0.02) = 0.435% HB2 GLU- 59 - HN GLU- 68 11.111% * 0.1025% (0.49 1.0 0.02 0.02) = 0.102% QG GLU- 6 - HN GLU- 68 11.111% * 0.0650% (0.31 1.0 0.02 0.02) = 0.065% HB2 GLU- 77 - HN GLU- 68 11.111% * 0.0585% (0.28 1.0 0.02 0.02) = 0.059% HB2 MET 101 - HN GLU- 68 11.111% * 0.0469% (0.22 1.0 0.02 0.02) = 0.047% Peak 1363 (1.15, 9.41, 117.56 ppm): 5 chemical-shift based assignments, quality = 0.868, support = 1.2, residual support = 2.62: QG2 VAL 65 - HN GLU- 68 20.000% * 86.5169% (0.90 1.36 3.03) = 86.517% kept HB3 LEU 43 - HN GLU- 68 20.000% * 7.8438% (0.69 0.16 0.02) = 7.844% kept HG3 ARG+ 88 - HN GLU- 68 20.000% * 4.0202% (0.69 0.08 0.02) = 4.020% kept HG3 ARG+ 48 - HN GLU- 68 20.000% * 1.2261% (0.87 0.02 0.02) = 1.226% kept QG2 ILE 38 - HN GLU- 68 20.000% * 0.3930% (0.28 0.02 0.02) = 0.393% Peak 1364 (0.29, 9.41, 117.56 ppm): 1 chemical-shift based assignment, quality = 0.487, support = 1.24, residual support = 6.61: QG1 VAL 7 - HN GLU- 68 100.000% *100.0000% (0.49 1.24 6.61) = 100.000% kept Peak 1365 (7.72, 7.37, 117.34 ppm): 1 chemical-shift based assignment, quality = 0.991, support = 5.78, residual support = 8.92: HN LYS+ 72 - HN ASN 69 100.000% *100.0000% (0.99 5.78 8.92) = 100.000% kept Peak 1366 (6.98, 7.37, 117.34 ppm): 2 chemical-shift based assignments, quality = 0.888, support = 4.64, residual support = 15.2: HN PHE 70 - HN ASN 69 50.000% * 70.3145% (0.90 5.57 20.52) = 70.314% kept HE ARG+ 90 - HN ASN 69 50.000% * 29.6855% (0.87 2.43 2.76) = 29.686% kept Peak 1367 (4.47, 7.37, 117.34 ppm): 9 chemical-shift based assignments, quality = 0.557, support = 4.48, residual support = 78.9: O HA ASN 69 - HN ASN 69 11.111% * 95.5743% (0.57 10.0 4.64 82.51) = 95.574% kept HA GLU- 6 - HN ASN 69 11.111% * 3.7623% (0.41 1.0 1.08 0.31) = 3.762% kept HA TYR 31 - HN ASN 69 11.111% * 0.1655% (0.98 1.0 0.02 0.19) = 0.165% HA VAL 61 - HN ASN 69 11.111% * 0.1597% (0.95 1.0 0.02 0.02) = 0.160% HA ASN 100 - HN ASN 69 11.111% * 0.0956% (0.57 1.0 0.02 0.02) = 0.096% HA ASN 74 - HN ASN 69 11.111% * 0.0888% (0.53 1.0 0.02 0.02) = 0.089% HB THR 64 - HN ASN 69 11.111% * 0.0757% (0.45 1.0 0.02 0.02) = 0.076% HA LYS+ 60 - HN ASN 69 11.111% * 0.0521% (0.31 1.0 0.02 0.02) = 0.052% HA VAL 7 - HN ASN 69 11.111% * 0.0260% (0.15 1.0 0.02 0.02) = 0.026% Peak 1368 (4.00, 7.37, 117.34 ppm): 4 chemical-shift based assignments, quality = 0.975, support = 1.75, residual support = 7.27: HA LYS+ 72 - HN ASN 69 25.000% * 81.3062% (0.98 2.05 8.92) = 81.306% kept HB2 SER 15 - HN ASN 69 25.000% * 17.8265% (1.00 0.44 0.12) = 17.826% kept HA1 GLY 5 - HN ASN 69 25.000% * 0.6178% (0.76 0.02 0.02) = 0.618% HA1 GLY 58 - HN ASN 69 25.000% * 0.2495% (0.31 0.02 0.02) = 0.250% Peak 1369 (3.85, 7.37, 117.34 ppm): 4 chemical-shift based assignments, quality = 0.947, support = 5.43, residual support = 16.2: O HA GLU- 68 - HN ASN 69 25.000% * 93.9090% (0.95 10.0 5.75 17.22) = 93.909% kept HA2 GLY 27 - HN ASN 69 25.000% * 3.5384% (0.98 1.0 0.73 0.02) = 3.538% kept HA SER 15 - HN ASN 69 25.000% * 2.5003% (0.97 1.0 0.52 0.12) = 2.500% kept HA MET 101 - HN ASN 69 25.000% * 0.0522% (0.53 1.0 0.02 0.02) = 0.052% Peak 1370 (3.19, 7.37, 117.34 ppm): 3 chemical-shift based assignments, quality = 0.657, support = 5.01, residual support = 78.2: O HB2 ASN 69 - HN ASN 69 33.333% * 94.6216% (0.65 10.0 5.25 82.51) = 94.622% kept HD3 ARG+ 90 - HN ASN 69 33.333% * 5.2324% (0.87 1.0 0.82 2.76) = 5.232% kept HB3 SER 18 - HN ASN 69 33.333% * 0.1459% (1.00 1.0 0.02 0.02) = 0.146% Peak 1371 (3.02, 7.37, 117.34 ppm): 7 chemical-shift based assignments, quality = 0.97, support = 4.88, residual support = 74.1: O HB3 ASN 69 - HN ASN 69 14.286% * 89.4688% (1.00 10.0 5.30 82.51) = 89.469% kept HB2 TYR 97 - HN ASN 69 14.286% * 4.2020% (0.87 1.0 1.08 0.14) = 4.202% kept HA ARG+ 88 - HN ASN 69 14.286% * 4.0094% (0.84 1.0 1.07 3.18) = 4.009% kept QE LYS+ 72 - HN ASN 69 14.286% * 2.1809% (0.25 1.0 1.96 8.92) = 2.181% kept QE LYS+ 20 - HN ASN 69 14.286% * 0.0684% (0.76 1.0 0.02 0.94) = 0.068% HE2 LYS+ 60 - HN ASN 69 14.286% * 0.0507% (0.57 1.0 0.02 0.02) = 0.051% QE LYS+ 11 - HN ASN 69 14.286% * 0.0199% (0.22 1.0 0.02 0.02) = 0.020% Peak 1372 (2.40, 7.37, 117.34 ppm): 4 chemical-shift based assignments, quality = 0.772, support = 3.28, residual support = 7.45: HG3 GLU- 68 - HN ASN 69 25.000% * 39.7848% (0.57 5.26 17.22) = 39.785% kept HB3 ASP- 89 - HN ASN 69 25.000% * 30.6997% (0.95 2.43 1.40) = 30.700% kept HB2 GLN 8 - HN ASN 69 25.000% * 21.6545% (0.98 1.65 0.60) = 21.655% kept HE3 LYS+ 56 - HN ASN 69 25.000% * 7.8610% (0.57 1.04 0.56) = 7.861% kept Peak 1373 (2.18, 7.37, 117.34 ppm): 9 chemical-shift based assignments, quality = 0.426, support = 4.45, residual support = 16.3: QB GLU- 68 - HN ASN 69 11.111% * 94.3114% (0.45 4.71 17.22) = 94.311% kept QG GLN 8 - HN ASN 69 11.111% * 2.5471% (0.14 0.42 0.60) = 2.547% kept HB2 PHE 84 - HN ASN 69 11.111% * 0.8629% (0.97 0.02 0.02) = 0.863% HB2 LEU 82 - HN ASN 69 11.111% * 0.6493% (0.73 0.02 1.46) = 0.649% HB2 LEU 42 - HN ASN 69 11.111% * 0.4704% (0.53 0.02 0.02) = 0.470% HB2 GLU- 59 - HN ASN 69 11.111% * 0.4352% (0.49 0.02 0.02) = 0.435% QG GLU- 6 - HN ASN 69 11.111% * 0.2760% (0.31 0.02 0.31) = 0.276% HB2 GLU- 77 - HN ASN 69 11.111% * 0.2486% (0.28 0.02 0.02) = 0.249% HB2 MET 101 - HN ASN 69 11.111% * 0.1991% (0.22 0.02 0.02) = 0.199% Peak 1374 (1.85, 7.37, 117.34 ppm): 9 chemical-shift based assignments, quality = 0.587, support = 1.17, residual support = 3.7: HD3 PRO 25 - HN ASN 69 11.111% * 34.4501% (0.65 1.28 0.90) = 34.450% kept QB LYS+ 72 - HN ASN 69 11.111% * 31.7638% (0.45 1.71 8.92) = 31.764% kept HB3 ARG+ 90 - HN ASN 69 11.111% * 18.7538% (0.97 0.47 2.76) = 18.754% kept HB ILE 24 - HN ASN 69 11.111% * 11.8772% (0.34 0.84 0.32) = 11.877% kept HG3 PRO 33 - HN ASN 69 11.111% * 0.7670% (0.92 0.02 0.02) = 0.767% QE MET 10 - HN ASN 69 11.111% * 0.7452% (0.90 0.02 0.02) = 0.745% HB3 PRO 33 - HN ASN 69 11.111% * 0.6350% (0.76 0.02 0.02) = 0.635% HB3 LYS+ 11 - HN ASN 69 11.111% * 0.5707% (0.69 0.02 0.02) = 0.571% QB MET 54 - HN ASN 69 11.111% * 0.4371% (0.53 0.02 0.02) = 0.437% Peak 1375 (1.52, 7.37, 117.34 ppm): 4 chemical-shift based assignments, quality = 0.779, support = 0.631, residual support = 0.712: HG3 PRO 25 - HN ASN 69 25.000% * 75.0527% (0.80 0.78 0.90) = 75.053% kept HG2 GLU- 23 - HN ASN 69 25.000% * 20.2658% (0.84 0.20 0.02) = 20.266% kept HG3 LYS+ 17 - HN ASN 69 25.000% * 4.3090% (0.20 0.18 0.80) = 4.309% kept HG12 ILE 95 - HN ASN 69 25.000% * 0.3725% (0.15 0.02 0.02) = 0.372% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1376 (0.34, 7.37, 117.34 ppm): 3 chemical-shift based assignments, quality = 0.8, support = 2.37, residual support = 2.56: QG1 VAL 71 - HN ASN 69 33.333% * 70.5095% (0.73 2.99 3.50) = 70.510% kept QD1 ILE 24 - HN ASN 69 33.333% * 29.0189% (0.99 0.90 0.32) = 29.019% kept QD1 LEU 63 - HN ASN 69 33.333% * 0.4716% (0.73 0.02 0.02) = 0.472% Peak 1377 (5.05, 8.00, 112.96 ppm): 5 chemical-shift based assignments, quality = 0.36, support = 0.294, residual support = 0.226: HA LYS+ 80 - HD21 ASN 69 20.000% * 42.5534% (0.52 0.23 0.02) = 42.553% kept HA LYS+ 56 - HD21 ASN 69 20.000% * 38.0071% (0.25 0.43 0.56) = 38.007% kept HA PHE 9 - HD21 ASN 69 20.000% * 14.1139% (0.17 0.23 0.02) = 14.114% kept HA VAL 94 - HD21 ASN 69 20.000% * 2.9106% (0.41 0.02 0.02) = 2.911% kept HA1 GLY 66 - HD21 ASN 69 20.000% * 2.4150% (0.34 0.02 0.02) = 2.415% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1378 (4.80, 8.00, 112.96 ppm): 3 chemical-shift based assignments, quality = 0.878, support = 0.759, residual support = 0.705: HA TYR 81 - HD21 ASN 69 33.333% * 97.6902% (0.89 0.78 0.72) = 97.690% kept HA THR 64 - HD21 ASN 69 33.333% * 1.2573% (0.44 0.02 0.02) = 1.257% kept HA TRP 50 - HD21 ASN 69 33.333% * 1.0525% (0.37 0.02 0.02) = 1.053% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1379 (4.49, 8.00, 112.96 ppm): 9 chemical-shift based assignments, quality = 0.831, support = 3.97, residual support = 73.4: HA ASN 69 - HD21 ASN 69 11.111% * 88.9909% (0.86 4.43 82.51) = 88.991% kept HA ASN 74 - HD21 ASN 69 11.111% * 6.7863% (0.89 0.33 0.02) = 6.786% kept HB2 SER 18 - HD21 ASN 69 11.111% * 2.2204% (0.25 0.38 0.02) = 2.220% kept HA LYS+ 60 - HD21 ASN 69 11.111% * 0.4620% (0.99 0.02 0.02) = 0.462% HA VAL 7 - HD21 ASN 69 11.111% * 0.4380% (0.94 0.02 0.02) = 0.438% HA MET 1 - HD21 ASN 69 11.111% * 0.4016% (0.86 0.02 0.02) = 0.402% HA ASN 100 - HD21 ASN 69 11.111% * 0.4016% (0.86 0.02 0.02) = 0.402% HA VAL 61 - HD21 ASN 69 11.111% * 0.2076% (0.44 0.02 0.02) = 0.208% HA TYR 31 - HD21 ASN 69 11.111% * 0.0916% (0.20 0.02 0.19) = 0.092% Peak 1380 (3.98, 8.00, 112.96 ppm): 4 chemical-shift based assignments, quality = 0.628, support = 0.372, residual support = 6.03: HA LYS+ 72 - HD21 ASN 69 25.000% * 67.1611% (0.60 0.47 8.92) = 67.161% kept HB2 SER 15 - HD21 ASN 69 25.000% * 29.9553% (0.72 0.18 0.12) = 29.955% kept HB THR 51 - HD21 ASN 69 25.000% * 1.4418% (0.31 0.02 0.02) = 1.442% kept HA1 GLY 5 - HD21 ASN 69 25.000% * 1.4418% (0.31 0.02 0.02) = 1.442% kept Peak 1381 (3.19, 8.00, 112.96 ppm): 3 chemical-shift based assignments, quality = 0.65, support = 4.71, residual support = 80.0: O HB2 ASN 69 - HD21 ASN 69 33.333% * 96.9929% (0.64 10.0 4.84 82.51) = 96.993% kept HB3 SER 18 - HD21 ASN 69 33.333% * 2.8771% (0.99 1.0 0.38 0.02) = 2.877% kept HD3 ARG+ 90 - HD21 ASN 69 33.333% * 0.1301% (0.86 1.0 0.02 2.76) = 0.130% Peak 1382 (3.02, 8.00, 112.96 ppm): 7 chemical-shift based assignments, quality = 0.981, support = 5.02, residual support = 80.3: O HB3 ASN 69 - HD21 ASN 69 14.286% * 97.2597% (0.99 10.0 5.15 82.51) = 97.260% kept HB2 TYR 97 - HD21 ASN 69 14.286% * 1.9552% (0.86 1.0 0.46 0.14) = 1.955% kept QE LYS+ 20 - HD21 ASN 69 14.286% * 0.6028% (0.76 1.0 0.16 0.94) = 0.603% HA ARG+ 88 - HD21 ASN 69 14.286% * 0.0812% (0.83 1.0 0.02 3.18) = 0.081% HE2 LYS+ 60 - HD21 ASN 69 14.286% * 0.0551% (0.56 1.0 0.02 0.02) = 0.055% QE LYS+ 72 - HD21 ASN 69 14.286% * 0.0243% (0.25 1.0 0.02 8.92) = 0.024% QE LYS+ 11 - HD21 ASN 69 14.286% * 0.0217% (0.22 1.0 0.02 0.02) = 0.022% Peak 1383 (1.79, 8.00, 112.96 ppm): 10 chemical-shift based assignments, quality = 0.833, support = 0.954, residual support = 0.975: HG LEU 82 - HD21 ASN 69 10.000% * 46.0887% (0.99 1.33 1.46) = 46.089% kept HB3 LYS+ 17 - HD21 ASN 69 10.000% * 23.2732% (0.64 1.04 0.80) = 23.273% kept HB3 LYS+ 20 - HD21 ASN 69 10.000% * 11.9685% (0.91 0.37 0.94) = 11.968% kept HD2 LYS+ 55 - HD21 ASN 69 10.000% * 8.7271% (0.99 0.25 0.02) = 8.727% kept HB2 LYS+ 55 - HD21 ASN 69 10.000% * 4.4688% (0.25 0.52 0.02) = 4.469% kept HB ILE 95 - HD21 ASN 69 10.000% * 4.2373% (0.48 0.25 0.02) = 4.237% kept HG3 ARG+ 53 - HD21 ASN 69 10.000% * 0.6564% (0.94 0.02 0.02) = 0.656% HB VAL 61 - HD21 ASN 69 10.000% * 0.2142% (0.31 0.02 0.02) = 0.214% HG LEU 42 - HD21 ASN 69 10.000% * 0.1929% (0.28 0.02 0.02) = 0.193% HG2 ARG+ 53 - HD21 ASN 69 10.000% * 0.1730% (0.25 0.02 0.02) = 0.173% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1384 (1.26, 8.00, 112.96 ppm): 3 chemical-shift based assignments, quality = 0.474, support = 1.03, residual support = 1.3: HB3 LEU 82 - HD21 ASN 69 33.333% * 47.7808% (0.68 0.82 1.46) = 47.781% kept QD1 LEU 82 - HD21 ASN 69 33.333% * 34.8527% (0.28 1.48 1.46) = 34.853% kept HB3 LYS+ 56 - HD21 ASN 69 33.333% * 17.3666% (0.31 0.67 0.56) = 17.367% kept Peak 1385 (4.48, 7.10, 112.96 ppm): 8 chemical-shift based assignments, quality = 0.933, support = 3.21, residual support = 80.0: HA ASN 69 - HD22 ASN 69 12.500% * 96.8986% (0.96 3.31 82.51) = 96.899% kept HA ASN 100 - HD22 ASN 69 12.500% * 0.5851% (0.96 0.02 0.02) = 0.585% HA ASN 74 - HD22 ASN 69 12.500% * 0.5735% (0.94 0.02 0.02) = 0.573% HA VAL 61 - HD22 ASN 69 12.500% * 0.5437% (0.89 0.02 0.02) = 0.544% HA LYS+ 60 - HD22 ASN 69 12.500% * 0.4633% (0.76 0.02 0.02) = 0.463% HA TYR 31 - HD22 ASN 69 12.500% * 0.3677% (0.61 0.02 0.19) = 0.368% HA VAL 7 - HD22 ASN 69 12.500% * 0.3190% (0.52 0.02 0.02) = 0.319% HA MET 1 - HD22 ASN 69 12.500% * 0.2492% (0.41 0.02 0.02) = 0.249% Peak 1386 (3.18, 7.10, 112.96 ppm): 5 chemical-shift based assignments, quality = 0.261, support = 3.5, residual support = 76.0: O HB2 ASN 69 - HD22 ASN 69 20.000% * 92.0508% (0.22 10.0 3.76 82.51) = 92.051% kept HB3 SER 18 - HD22 ASN 69 20.000% * 7.3714% (0.76 1.0 0.47 0.02) = 7.371% kept HD3 ARG+ 90 - HD22 ASN 69 20.000% * 0.3990% (0.96 1.0 0.02 2.76) = 0.399% QB HIS 99 - HD22 ASN 69 20.000% * 0.1150% (0.28 1.0 0.02 0.02) = 0.115% HB3 TYR 86 - HD22 ASN 69 20.000% * 0.0638% (0.15 1.0 0.02 0.02) = 0.064% Peak 1387 (3.04, 7.10, 112.96 ppm): 5 chemical-shift based assignments, quality = 0.683, support = 4.06, residual support = 82.2: O HB3 ASN 69 - HD22 ASN 69 20.000% * 99.6231% (0.69 10.0 4.08 82.51) = 99.623% kept HE2 LYS+ 60 - HD22 ASN 69 20.000% * 0.1422% (0.98 1.0 0.02 0.02) = 0.142% HA ARG+ 88 - HD22 ASN 69 20.000% * 0.1400% (0.96 1.0 0.02 3.18) = 0.140% HB2 TYR 97 - HD22 ASN 69 20.000% * 0.0544% (0.37 1.0 0.02 0.14) = 0.054% QE LYS+ 20 - HD22 ASN 69 20.000% * 0.0403% (0.28 1.0 0.02 0.94) = 0.040% Peak 1389 (4.25, 7.47, 115.83 ppm): 4 chemical-shift based assignments, quality = 0.737, support = 5.11, residual support = 36.7: O HA ASN 75 - HN LEU 76 25.000% * 92.5342% (0.73 10.0 5.49 39.69) = 92.534% kept HA GLU- 59 - HN LEU 76 25.000% * 3.4482% (0.99 1.0 0.55 0.02) = 3.448% kept HA PHE 13 - HN LEU 76 25.000% * 3.1011% (1.00 1.0 0.49 0.02) = 3.101% kept HD2 PRO 33 - HN LEU 76 25.000% * 0.9166% (0.61 1.0 0.24 0.02) = 0.917% Peak 1390 (4.27, 6.71, 112.96 ppm): 8 chemical-shift based assignments, quality = 0.655, support = 3.67, residual support = 77.7: HA ASN 75 - HD22 ASN 75 12.500% * 87.6497% (0.73 3.72 85.93) = 87.650% kept HA ASN 75 - HN ASN 74 12.500% * 8.2233% (0.05 4.83 29.18) = 8.223% kept HA PRO 12 - HD22 ASN 75 12.500% * 2.2178% (0.41 0.17 0.02) = 2.218% kept HA GLU- 59 - HD22 ASN 75 12.500% * 1.6266% (0.34 0.15 0.02) = 1.627% kept HA PHE 13 - HD22 ASN 75 12.500% * 0.1617% (0.25 0.02 0.02) = 0.162% HA PRO 12 - HN ASN 74 12.500% * 0.0932% (0.03 0.10 0.02) = 0.093% HA GLU- 59 - HN ASN 74 12.500% * 0.0160% (0.02 0.02 0.02) = 0.016% HA PHE 13 - HN ASN 74 12.500% * 0.0117% (0.02 0.02 0.02) = 0.012% Peak 1391 (4.26, 7.44, 112.96 ppm): 4 chemical-shift based assignments, quality = 0.97, support = 3.6, residual support = 82.9: HA ASN 75 - HD21 ASN 75 25.000% * 96.4890% (0.98 3.72 85.93) = 96.489% kept HA GLU- 59 - HD21 ASN 75 25.000% * 3.0524% (0.78 0.15 0.02) = 3.052% kept HA PHE 13 - HD21 ASN 75 25.000% * 0.3560% (0.67 0.02 0.02) = 0.356% HD2 PRO 33 - HD21 ASN 75 25.000% * 0.1026% (0.19 0.02 0.02) = 0.103% Peak 1392 (4.24, 7.67, 117.95 ppm): 4 chemical-shift based assignments, quality = 0.29, support = 4.76, residual support = 83.1: O HA ASN 75 - HN ASN 75 25.000% * 96.7023% (0.28 10.0 4.92 85.93) = 96.702% kept HA GLU- 59 - HN ASN 75 25.000% * 1.6549% (0.65 1.0 0.15 0.02) = 1.655% kept HA PHE 13 - HN ASN 75 25.000% * 1.3019% (0.76 1.0 0.10 0.02) = 1.302% kept HD2 PRO 33 - HN ASN 75 25.000% * 0.3409% (0.98 1.0 0.02 0.02) = 0.341% Peak 1393 (5.50, 6.74, 112.74 ppm): 2 chemical-shift based assignments, quality = 0.958, support = 1.48, residual support = 5.44: HA TYR 86 - HN ASN 74 50.000% * 95.6513% (1.00 1.50 5.69) = 95.651% kept HA TYR 86 - HD22 ASN 75 50.000% * 4.3487% (0.07 0.94 0.02) = 4.349% kept Peak 1394 (4.48, 7.72, 118.24 ppm): 8 chemical-shift based assignments, quality = 0.891, support = 2.37, residual support = 4.3: HA ASN 69 - HN LYS+ 72 12.500% * 37.8286% (0.97 3.08 8.92) = 37.829% kept HA VAL 61 - HN LYS+ 72 12.500% * 31.5528% (0.90 2.77 1.90) = 31.553% kept HA ASN 74 - HN LYS+ 72 12.500% * 16.8313% (0.95 1.40 1.71) = 16.831% kept HA TYR 31 - HN LYS+ 72 12.500% * 7.2130% (0.61 0.94 0.26) = 7.213% kept HA VAL 7 - HN LYS+ 72 12.500% * 3.1593% (0.53 0.47 0.10) = 3.159% kept HA LYS+ 60 - HN LYS+ 72 12.500% * 3.0650% (0.76 0.32 0.46) = 3.065% kept HA ASN 100 - HN LYS+ 72 12.500% * 0.2455% (0.97 0.02 0.02) = 0.245% HA MET 1 - HN LYS+ 72 12.500% * 0.1046% (0.41 0.02 0.02) = 0.105% Peak 1395 (5.50, 7.45, 119.53 ppm): 1 chemical-shift based assignment, quality = 0.998, support = 3.45, residual support = 9.4: HA TYR 86 - HN VAL 71 100.000% *100.0000% (1.00 3.45 9.40) = 100.000% kept Peak 1396 (5.49, 6.97, 121.41 ppm): 1 chemical-shift based assignment, quality = 0.687, support = 3.16, residual support = 8.48: HA TYR 86 - HN PHE 70 100.000% *100.0000% (0.69 3.16 8.48) = 100.000% kept Peak 1397 (7.71, 8.55, 119.62 ppm): 1 chemical-shift based assignment, quality = 0.801, support = 5.36, residual support = 28.0: T HN LYS+ 72 - HN ASP- 73 100.000% *100.0000% (0.80 10.00 5.36 27.95) = 100.000% kept Peak 1398 (9.43, 6.97, 121.41 ppm): 2 chemical-shift based assignments, quality = 0.428, support = 1.73, residual support = 2.99: T HN TYR 97 - HN PHE 70 50.000% * 85.5706% (0.45 10.00 1.43 2.80) = 85.571% kept HN GLU- 68 - HN PHE 70 50.000% * 14.4294% (0.31 1.00 3.50 4.12) = 14.429% kept Peak 1399 (7.97, 6.97, 121.41 ppm): 5 chemical-shift based assignments, quality = 0.341, support = 4.27, residual support = 17.7: HD21 ASN 69 - HN PHE 70 20.000% * 85.9869% (0.34 1.00 4.91 20.52) = 85.987% kept HN SER 18 - HN PHE 70 20.000% * 10.0430% (0.41 1.00 0.48 0.16) = 10.043% kept T HN ASP- 44 - HN PHE 70 20.000% * 2.5603% (0.25 10.00 0.02 0.02) = 2.560% kept HN THR 4 - HN PHE 70 20.000% * 0.7456% (0.73 1.00 0.02 0.02) = 0.746% HN ALA 34 - HN PHE 70 20.000% * 0.6642% (0.65 1.00 0.02 0.02) = 0.664% Peak 1400 (7.71, 6.97, 121.41 ppm): 1 chemical-shift based assignment, quality = 0.801, support = 4.48, residual support = 4.48: HN LYS+ 72 - HN PHE 70 100.000% *100.0000% (0.80 4.48 4.48) = 100.000% kept Peak 1401 (7.41, 6.97, 121.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1402 (7.17, 6.97, 121.41 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 3.09, residual support = 4.32: HN PHE 32 - HN PHE 70 100.000% *100.0000% (0.28 3.09 4.32) = 100.000% kept Peak 1403 (6.98, 7.45, 119.53 ppm): 2 chemical-shift based assignments, quality = 0.894, support = 5.35, residual support = 17.6: HN PHE 70 - HN VAL 71 50.000% * 99.6409% (0.90 5.37 17.66) = 99.641% kept HE ARG+ 90 - HN VAL 71 50.000% * 0.3591% (0.87 0.02 0.02) = 0.359% Peak 1404 (7.72, 7.45, 119.53 ppm): 1 chemical-shift based assignment, quality = 0.991, support = 6.49, residual support = 42.0: T HN LYS+ 72 - HN VAL 71 100.000% *100.0000% (0.99 10.00 6.49 42.01) = 100.000% kept Peak 1405 (7.46, 7.72, 118.24 ppm): 7 chemical-shift based assignments, quality = 0.787, support = 5.38, residual support = 31.7: T HN VAL 71 - HN LYS+ 72 14.286% * 74.0096% (0.80 10.00 6.49 42.01) = 74.010% kept HN LEU 76 - HN LYS+ 72 14.286% * 11.2601% (0.69 1.00 3.55 5.03) = 11.260% kept HE21 GLN 8 - HN LYS+ 72 14.286% * 6.8844% (1.00 1.00 1.49 0.35) = 6.884% kept HN GLU- 30 - HN LYS+ 72 14.286% * 3.2990% (0.99 1.00 0.72 0.02) = 3.299% kept HN TYR 31 - HN LYS+ 72 14.286% * 2.3852% (0.34 1.00 1.51 0.26) = 2.385% kept HD21 ASN 75 - HN LYS+ 72 14.286% * 1.5597% (0.49 1.00 0.69 0.55) = 1.560% kept HN THR 39 - HN LYS+ 72 14.286% * 0.6020% (0.18 1.00 0.74 0.02) = 0.602% Peak 1406 (8.55, 7.72, 118.24 ppm): 3 chemical-shift based assignments, quality = 0.978, support = 4.93, residual support = 24.8: T HN ASP- 73 - HN LYS+ 72 33.333% * 88.2021% (0.99 10.00 5.36 27.95) = 88.202% kept HN PHE 9 - HN LYS+ 72 33.333% * 8.4743% (0.99 1.00 1.92 1.56) = 8.474% kept HN VAL 94 - HN LYS+ 72 33.333% * 3.3236% (0.61 1.00 1.23 0.79) = 3.324% kept Peak 1407 (7.47, 8.55, 119.62 ppm): 8 chemical-shift based assignments, quality = 0.745, support = 1.78, residual support = 0.761: HN LEU 76 - HN ASP- 73 12.500% * 24.4958% (1.00 1.74 0.41) = 24.496% kept HN TYR 31 - HN ASP- 73 12.500% * 20.4096% (0.80 1.81 0.79) = 20.410% kept HE21 GLN 8 - HN ASP- 73 12.500% * 20.0136% (0.69 2.06 1.56) = 20.014% kept HN GLU- 30 - HN ASP- 73 12.500% * 17.6283% (0.80 1.56 0.43) = 17.628% kept HN VAL 71 - HN ASP- 73 12.500% * 10.3648% (0.34 2.15 0.88) = 10.365% kept HN LYS+ 60 - HN ASP- 73 12.500% * 5.9236% (0.38 1.12 0.10) = 5.924% kept HD21 ASN 75 - HN ASP- 73 12.500% * 1.0045% (0.14 0.53 1.39) = 1.004% kept HN THR 39 - HN ASP- 73 12.500% * 0.1598% (0.57 0.02 0.02) = 0.160% Peak 1408 (7.01, 8.55, 119.62 ppm): 1 chemical-shift based assignment, quality = 0.175, support = 0.235, residual support = 0.235: HE ARG+ 90 - HN ASP- 73 100.000% *100.0000% (0.18 0.24 0.24) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1409 (6.74, 8.55, 119.62 ppm): 1 chemical-shift based assignment, quality = 0.998, support = 2.39, residual support = 8.5: T HN ASN 74 - HN ASP- 73 100.000% *100.0000% (1.00 10.00 2.39 8.50) = 100.000% kept Peak 1410 (8.55, 6.74, 112.74 ppm): 6 chemical-shift based assignments, quality = 0.989, support = 2.32, residual support = 8.16: T HN ASP- 73 - HN ASN 74 16.667% * 95.9550% (0.99 10.00 2.39 8.50) = 95.955% kept HN PHE 9 - HN ASN 74 16.667% * 3.7927% (0.99 1.00 0.79 0.14) = 3.793% kept HN ASP- 73 - HD22 ASN 75 16.667% * 0.1824% (0.07 1.00 0.53 1.39) = 0.182% HN VAL 94 - HN ASN 74 16.667% * 0.0587% (0.61 1.00 0.02 0.02) = 0.059% HN PHE 9 - HD22 ASN 75 16.667% * 0.0069% (0.07 1.00 0.02 0.02) = 0.007% HN VAL 94 - HD22 ASN 75 16.667% * 0.0042% (0.04 1.00 0.02 0.02) = 0.004% Peak 1411 (7.67, 6.74, 112.74 ppm): 2 chemical-shift based assignments, quality = 0.908, support = 6.37, residual support = 30.2: T HN ASN 75 - HN ASN 74 50.000% * 98.2169% (0.92 10.00 6.39 29.18) = 98.217% kept HN ASN 75 - HD22 ASN 75 50.000% * 1.7831% (0.07 1.00 5.02 85.93) = 1.783% kept Peak 1412 (7.48, 7.67, 117.95 ppm): 6 chemical-shift based assignments, quality = 0.779, support = 5.84, residual support = 34.6: T HN LEU 76 - HN ASN 75 16.667% * 87.0552% (0.76 10.00 6.59 39.69) = 87.055% kept HN TYR 31 - HN ASN 75 16.667% * 5.8078% (0.99 1.00 1.03 0.20) = 5.808% kept HN THR 39 - HN ASN 75 16.667% * 3.0661% (0.97 1.00 0.56 0.02) = 3.066% kept HN LYS+ 60 - HN ASN 75 16.667% * 2.5852% (0.84 1.00 0.54 0.02) = 2.585% kept HN GLU- 30 - HN ASN 75 16.667% * 1.4571% (0.34 1.00 0.75 0.13) = 1.457% kept HE21 GLN 8 - HN ASN 75 16.667% * 0.0284% (0.25 1.00 0.02 0.02) = 0.028% Peak 1413 (6.74, 7.67, 117.95 ppm): 1 chemical-shift based assignment, quality = 0.998, support = 6.39, residual support = 29.2: T HN ASN 74 - HN ASN 75 100.000% *100.0000% (1.00 10.00 6.39 29.18) = 100.000% kept Peak 1414 (6.70, 7.44, 112.96 ppm): 1 chemical-shift based assignment, quality = 0.927, support = 2.8, residual support = 85.9: O T HD22 ASN 75 - HD21 ASN 75 100.000% *100.0000% (0.93 10.0 10.00 2.80 85.93) = 100.000% kept Peak 1415 (7.46, 6.71, 112.96 ppm): 14 chemical-shift based assignments, quality = 0.597, support = 2.85, residual support = 51.0: O T HD21 ASN 75 - HD22 ASN 75 7.143% * 48.8629% (0.49 10.0 10.00 2.80 85.93) = 48.863% kept HN LEU 76 - HD22 ASN 75 7.143% * 19.4810% (0.69 1.0 1.00 5.65 39.69) = 19.481% kept T HN GLU- 30 - HD22 ASN 75 7.143% * 18.9984% (0.99 1.0 10.00 0.38 0.13) = 18.998% kept T HN TYR 31 - HD22 ASN 75 7.143% * 6.0441% (0.34 1.0 10.00 0.35 0.20) = 6.044% kept T HN LEU 76 - HN ASN 74 7.143% * 4.9842% (0.05 1.0 10.00 5.58 25.68) = 4.984% kept HE21 GLN 8 - HD22 ASN 75 7.143% * 1.4170% (1.00 1.0 1.00 0.28 0.02) = 1.417% kept HN VAL 71 - HD22 ASN 75 7.143% * 0.0804% (0.80 1.0 1.00 0.02 2.55) = 0.080% T HN GLU- 30 - HN ASN 74 7.143% * 0.0719% (0.07 1.0 10.00 0.02 0.27) = 0.072% T HN TYR 31 - HN ASN 74 7.143% * 0.0248% (0.02 1.0 10.00 0.02 0.24) = 0.025% HN THR 39 - HD22 ASN 75 7.143% * 0.0176% (0.18 1.0 1.00 0.02 0.02) = 0.018% HE21 GLN 8 - HN ASN 74 7.143% * 0.0072% (0.07 1.0 1.00 0.02 0.02) = 0.007% HN VAL 71 - HN ASN 74 7.143% * 0.0058% (0.06 1.0 1.00 0.02 0.49) = 0.006% HD21 ASN 75 - HN ASN 74 7.143% * 0.0035% (0.04 1.0 1.00 0.02 29.18) = 0.004% HN THR 39 - HN ASN 74 7.143% * 0.0013% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 1416 (7.67, 7.47, 115.83 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 6.59, residual support = 39.7: T HN ASN 75 - HN LEU 76 100.000% *100.0000% (0.92 10.00 6.59 39.69) = 100.000% kept Peak 1417 (6.42, 7.47, 115.83 ppm): 1 chemical-shift based assignment, quality = 0.998, support = 5.2, residual support = 23.4: HN GLU- 77 - HN LEU 76 100.000% *100.0000% (1.00 5.20 23.36) = 100.000% kept Peak 1418 (6.75, 7.47, 115.83 ppm): 1 chemical-shift based assignment, quality = 0.687, support = 5.58, residual support = 25.7: T HN ASN 74 - HN LEU 76 100.000% *100.0000% (0.69 10.00 5.58 25.68) = 100.000% kept Peak 1419 (7.16, 7.47, 115.83 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 0.75, residual support = 0.75: HN PHE 32 - HN LEU 76 100.000% *100.0000% (0.73 0.75 0.75) = 100.000% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1420 (7.07, 7.47, 115.83 ppm): 2 chemical-shift based assignments, quality = 0.485, support = 2.44, residual support = 6.85: HN LYS+ 17 - HN LEU 76 50.000% * 99.7065% (0.49 2.44 6.87) = 99.706% kept HD22 ASN 69 - HN LEU 76 50.000% * 0.2935% (0.18 0.02 0.02) = 0.294% Peak 1422 (4.44, 6.97, 121.41 ppm): 6 chemical-shift based assignments, quality = 0.88, support = 1.38, residual support = 0.89: HA TRP 67 - HN PHE 70 16.667% * 43.6783% (0.92 1.87 1.71) = 43.678% kept HA GLU- 6 - HN PHE 70 16.667% * 33.0071% (0.97 1.35 0.40) = 33.007% kept HA1 GLY 98 - HN PHE 70 16.667% * 10.8416% (0.87 0.49 0.02) = 10.842% kept HA TYR 31 - HN PHE 70 16.667% * 7.1340% (0.38 0.75 0.12) = 7.134% kept HB THR 64 - HN PHE 70 16.667% * 3.6330% (0.95 0.15 0.02) = 3.633% kept HA VAL 61 - HN PHE 70 16.667% * 1.7061% (0.15 0.44 0.02) = 1.706% kept Peak 1423 (3.83, 6.97, 121.41 ppm): 4 chemical-shift based assignments, quality = 0.54, support = 3.43, residual support = 2.62: HA GLU- 68 - HN PHE 70 25.000% * 61.8779% (0.45 4.97 4.12) = 61.878% kept HB3 SER 21 - HN PHE 70 25.000% * 23.9390% (0.92 0.93 0.30) = 23.939% kept HA2 GLY 27 - HN PHE 70 25.000% * 8.5096% (0.38 0.82 0.02) = 8.510% kept HA SER 15 - HN PHE 70 25.000% * 5.6735% (0.18 1.17 0.02) = 5.674% kept Peak 1424 (3.20, 6.97, 121.41 ppm): 4 chemical-shift based assignments, quality = 0.929, support = 4.9, residual support = 18.1: HB2 ASN 69 - HN PHE 70 25.000% * 88.3860% (0.99 5.44 20.52) = 88.386% kept HB3 SER 18 - HN PHE 70 25.000% * 6.5360% (0.69 0.58 0.16) = 6.536% kept HD2 ARG+ 88 - HN PHE 70 25.000% * 4.2886% (0.20 1.32 0.02) = 4.289% kept HD3 ARG+ 90 - HN PHE 70 25.000% * 0.7895% (0.41 0.12 0.02) = 0.789% Peak 1425 (3.04, 6.97, 121.41 ppm): 5 chemical-shift based assignments, quality = 0.662, support = 4.79, residual support = 18.3: HB3 ASN 69 - HN PHE 70 20.000% * 88.3491% (0.69 5.34 20.52) = 88.349% kept HB2 TYR 97 - HN PHE 70 20.000% * 7.5629% (0.38 0.84 2.80) = 7.563% kept HA ARG+ 88 - HN PHE 70 20.000% * 2.7217% (0.97 0.12 0.02) = 2.722% kept QE LYS+ 20 - HN PHE 70 20.000% * 0.8942% (0.28 0.13 0.02) = 0.894% HE2 LYS+ 60 - HN PHE 70 20.000% * 0.4721% (0.98 0.02 0.02) = 0.472% Peak 1426 (2.40, 6.97, 121.41 ppm): 4 chemical-shift based assignments, quality = 0.758, support = 1.84, residual support = 2.05: HG3 GLU- 68 - HN PHE 70 25.000% * 35.6434% (0.57 2.90 4.12) = 35.643% kept HB2 GLN 8 - HN PHE 70 25.000% * 30.8414% (0.98 1.45 0.48) = 30.841% kept HB3 ASP- 89 - HN PHE 70 25.000% * 17.0091% (0.95 0.83 0.20) = 17.009% kept HE3 LYS+ 56 - HN PHE 70 25.000% * 16.5060% (0.57 1.34 2.42) = 16.506% kept Peak 1427 (2.60, 6.97, 121.41 ppm): 6 chemical-shift based assignments, quality = 0.468, support = 3.53, residual support = 15.9: HA VAL 71 - HN PHE 70 16.667% * 90.3005% (0.45 3.90 17.66) = 90.300% kept HG3 MET 10 - HN PHE 70 16.667% * 5.0218% (1.00 0.10 0.02) = 5.022% kept HB2 ASP- 41 - HN PHE 70 16.667% * 1.9004% (0.18 0.21 0.02) = 1.900% kept HB3 ASN 100 - HN PHE 70 16.667% * 1.0238% (0.99 0.02 0.02) = 1.024% kept HG2 MET 1 - HN PHE 70 16.667% * 0.9264% (0.90 0.02 0.02) = 0.926% HD3 PRO 35 - HN PHE 70 16.667% * 0.8271% (0.80 0.02 0.02) = 0.827% Peak 1428 (1.88, 6.97, 121.41 ppm): 10 chemical-shift based assignments, quality = 0.924, support = 3.03, residual support = 11.3: O QB PHE 70 - HN PHE 70 10.000% * 88.6761% (0.97 10.0 3.24 12.30) = 88.676% kept QB LYS+ 72 - HN PHE 70 10.000% * 4.8978% (0.53 1.0 2.03 4.48) = 4.898% kept HB VAL 7 - HN PHE 70 10.000% * 3.8976% (0.84 1.0 1.02 4.11) = 3.898% kept HB2 LYS+ 17 - HN PHE 70 10.000% * 2.0277% (0.49 1.0 0.91 0.02) = 2.028% kept HB3 PRO 33 - HN PHE 70 10.000% * 0.2717% (0.25 1.0 0.24 0.02) = 0.272% HB3 GLU- 59 - HN PHE 70 10.000% * 0.0736% (0.80 1.0 0.02 0.02) = 0.074% QB LYS+ 80 - HN PHE 70 10.000% * 0.0736% (0.80 1.0 0.02 0.02) = 0.074% QB MET 54 - HN PHE 70 10.000% * 0.0412% (0.45 1.0 0.02 0.02) = 0.041% HB3 LYS+ 11 - HN PHE 70 10.000% * 0.0284% (0.31 1.0 0.02 0.02) = 0.028% HG3 PRO 33 - HN PHE 70 10.000% * 0.0124% (0.14 1.0 0.02 0.02) = 0.012% Peak 1429 (0.29, 6.97, 121.41 ppm): 1 chemical-shift based assignment, quality = 0.487, support = 2.37, residual support = 4.11: QG1 VAL 7 - HN PHE 70 100.000% *100.0000% (0.49 2.37 4.11) = 100.000% kept Peak 1430 (0.57, 6.97, 121.41 ppm): 2 chemical-shift based assignments, quality = 0.982, support = 0.119, residual support = 0.0816: QD2 LEU 22 - HN PHE 70 50.000% * 86.8485% (0.98 0.13 0.02) = 86.849% kept QD2 LEU 63 - HN PHE 70 50.000% * 13.1515% (0.99 0.02 0.49) = 13.151% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1431 (4.47, 7.45, 119.53 ppm): 9 chemical-shift based assignments, quality = 0.722, support = 1.61, residual support = 2.84: HA VAL 61 - HN VAL 71 11.111% * 33.6282% (0.95 1.65 4.89) = 33.628% kept HA ASN 69 - HN VAL 71 11.111% * 31.7284% (0.57 2.61 3.50) = 31.728% kept HA TYR 31 - HN VAL 71 11.111% * 15.1044% (0.98 0.72 0.02) = 15.104% kept HA GLU- 6 - HN VAL 71 11.111% * 7.2188% (0.41 0.82 0.02) = 7.219% kept HA ASN 74 - HN VAL 71 11.111% * 7.2183% (0.53 0.64 0.49) = 7.218% kept HA LYS+ 60 - HN VAL 71 11.111% * 1.9513% (0.31 0.29 1.81) = 1.951% kept HA VAL 7 - HN VAL 71 11.111% * 1.9086% (0.15 0.58 0.59) = 1.909% kept HB THR 64 - HN VAL 71 11.111% * 0.9986% (0.45 0.10 0.02) = 0.999% HA ASN 100 - HN VAL 71 11.111% * 0.2433% (0.57 0.02 0.02) = 0.243% Peak 1432 (3.83, 7.45, 119.53 ppm): 4 chemical-shift based assignments, quality = 0.529, support = 2.23, residual support = 11.0: HA GLU- 68 - HN VAL 71 25.000% * 56.3161% (0.45 3.26 18.52) = 56.316% kept HB3 SER 21 - HN VAL 71 25.000% * 24.4238% (0.92 0.69 0.94) = 24.424% kept HA SER 15 - HN VAL 71 25.000% * 10.6285% (0.18 1.58 2.94) = 10.628% kept HA2 GLY 27 - HN VAL 71 25.000% * 8.6316% (0.38 0.60 0.02) = 8.632% kept Peak 1433 (2.62, 7.45, 119.53 ppm): 6 chemical-shift based assignments, quality = 0.894, support = 5.32, residual support = 59.0: O HA VAL 71 - HN VAL 71 16.667% * 99.6459% (0.90 10.0 5.34 59.18) = 99.646% kept HG2 MET 1 - HN VAL 71 16.667% * 0.1051% (0.95 1.0 0.02 0.02) = 0.105% HG3 MET 10 - HN VAL 71 16.667% * 0.0763% (0.69 1.0 0.02 0.02) = 0.076% HB3 ASN 100 - HN VAL 71 16.667% * 0.0719% (0.65 1.0 0.02 0.02) = 0.072% HB2 ASP- 41 - HN VAL 71 16.667% * 0.0629% (0.57 1.0 0.02 0.53) = 0.063% HD3 PRO 35 - HN VAL 71 16.667% * 0.0379% (0.34 1.0 0.02 0.02) = 0.038% Peak 1434 (2.42, 7.45, 119.53 ppm): 4 chemical-shift based assignments, quality = 0.521, support = 3.21, residual support = 17.2: O HA PHE 70 - HN VAL 71 25.000% * 97.3158% (0.53 10.0 3.28 17.66) = 97.316% kept HB2 GLN 8 - HN VAL 71 25.000% * 2.5213% (0.38 1.0 0.73 0.02) = 2.521% kept HB2 PRO 37 - HN VAL 71 25.000% * 0.1343% (0.73 1.0 0.02 0.02) = 0.134% HB3 ASP- 89 - HN VAL 71 25.000% * 0.0285% (0.15 1.0 0.02 0.02) = 0.029% Peak 1435 (1.91, 7.45, 119.53 ppm): 9 chemical-shift based assignments, quality = 0.693, support = 4.46, residual support = 53.3: O HB VAL 71 - HN VAL 71 11.111% * 87.5689% (0.73 10.0 4.74 59.18) = 87.569% kept QB PHE 70 - HN VAL 71 11.111% * 8.1489% (0.41 1.0 3.29 17.66) = 8.149% kept HB VAL 7 - HN VAL 71 11.111% * 3.9177% (0.61 1.0 1.07 0.59) = 3.918% kept HB2 LYS+ 17 - HN VAL 71 11.111% * 0.1113% (0.92 1.0 0.02 1.00) = 0.111% QB LYS+ 80 - HN VAL 71 11.111% * 0.0780% (0.65 1.0 0.02 0.02) = 0.078% HB3 GLU- 59 - HN VAL 71 11.111% * 0.0780% (0.65 1.0 0.02 0.02) = 0.078% HB3 GLU- 16 - HN VAL 71 11.111% * 0.0335% (0.28 1.0 0.02 0.02) = 0.034% HB2 LYS+ 60 - HN VAL 71 11.111% * 0.0335% (0.28 1.0 0.02 1.81) = 0.034% QB GLU- 6 - HN VAL 71 11.111% * 0.0301% (0.25 1.0 0.02 0.02) = 0.030% Peak 1436 (0.74, 7.45, 119.53 ppm): 4 chemical-shift based assignments, quality = 0.688, support = 3.18, residual support = 24.5: QG1 VAL 61 - HN VAL 71 25.000% * 51.6410% (0.97 2.17 4.89) = 51.641% kept QG2 VAL 71 - HN VAL 71 25.000% * 37.1360% (0.28 5.40 59.18) = 37.136% kept QD1 LEU 43 - HN VAL 71 25.000% * 10.8453% (0.80 0.55 0.10) = 10.845% kept QG1 ILE 96 - HN VAL 71 25.000% * 0.3778% (0.76 0.02 0.02) = 0.378% Peak 1437 (0.32, 7.45, 119.53 ppm): 4 chemical-shift based assignments, quality = 0.787, support = 3.81, residual support = 39.8: QG1 VAL 71 - HN VAL 71 25.000% * 66.9966% (0.73 4.79 59.18) = 66.997% kept QG1 VAL 7 - HN VAL 71 25.000% * 32.5923% (0.92 1.83 0.59) = 32.592% kept QD1 LEU 63 - HN VAL 71 25.000% * 0.2797% (0.73 0.02 0.02) = 0.280% QD1 ILE 24 - HN VAL 71 25.000% * 0.1314% (0.34 0.02 1.80) = 0.131% Peak 1438 (3.96, 7.72, 118.24 ppm): 1 chemical-shift based assignment, quality = 0.998, support = 0.02, residual support = 0.02: HB THR 51 - HN LYS+ 72 100.000% *100.0000% (1.00 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1439 (2.95, 7.72, 118.24 ppm): 8 chemical-shift based assignments, quality = 0.849, support = 1.24, residual support = 1.13: QE LYS+ 17 - HN LYS+ 72 12.500% * 35.7289% (0.92 1.68 1.66) = 35.729% kept HB3 PHE 9 - HN LYS+ 72 12.500% * 29.9012% (0.98 1.32 1.56) = 29.901% kept HE3 LYS+ 60 - HN LYS+ 72 12.500% * 12.3676% (0.73 0.74 0.46) = 12.368% kept HD3 ARG+ 48 - HN LYS+ 72 12.500% * 11.2474% (0.49 1.00 0.10) = 11.247% kept HB2 ASP- 89 - HN LYS+ 72 12.500% * 8.4159% (0.80 0.46 0.02) = 8.416% kept QE LYS+ 55 - HN LYS+ 72 12.500% * 2.0212% (0.69 0.13 0.10) = 2.021% kept HD3 ARG+ 88 - HN LYS+ 72 12.500% * 0.1896% (0.41 0.02 0.02) = 0.190% QB ASN 29 - HN LYS+ 72 12.500% * 0.1282% (0.28 0.02 0.02) = 0.128% Peak 1440 (2.47, 7.72, 118.24 ppm): 2 chemical-shift based assignments, quality = 0.243, support = 3.31, residual support = 17.3: HG2 GLU- 68 - HN LYS+ 72 50.000% * 97.4254% (0.22 3.39 17.79) = 97.425% kept HB2 GLN 83 - HN LYS+ 72 50.000% * 2.5746% (1.00 0.02 0.02) = 2.575% kept Peak 1441 (1.86, 7.72, 118.24 ppm): 9 chemical-shift based assignments, quality = 0.871, support = 5.11, residual support = 55.1: O QB LYS+ 72 - HN LYS+ 72 11.111% * 81.8560% (0.90 10.0 5.94 66.93) = 81.856% kept HG3 PRO 33 - HN LYS+ 72 11.111% * 6.1879% (0.92 1.0 1.47 0.75) = 6.188% kept HB3 PRO 33 - HN LYS+ 72 11.111% * 3.4151% (1.00 1.0 0.75 0.75) = 3.415% kept HB3 LYS+ 11 - HN LYS+ 72 11.111% * 3.0201% (1.00 1.0 0.66 2.56) = 3.020% kept QB PHE 70 - HN LYS+ 72 11.111% * 2.6701% (0.18 1.0 3.34 4.48) = 2.670% kept QE MET 10 - HN LYS+ 72 11.111% * 2.3362% (0.45 1.0 1.14 0.02) = 2.336% kept HD3 PRO 25 - HN LYS+ 72 11.111% * 0.3766% (0.22 1.0 0.37 0.02) = 0.377% QB MET 54 - HN LYS+ 72 11.111% * 0.0863% (0.95 1.0 0.02 0.02) = 0.086% HB3 ARG+ 90 - HN LYS+ 72 11.111% * 0.0517% (0.57 1.0 0.02 0.02) = 0.052% Peak 1442 (1.65, 7.72, 118.24 ppm): 6 chemical-shift based assignments, quality = 0.648, support = 1.26, residual support = 0.965: QD LYS+ 17 - HN LYS+ 72 16.667% * 37.4495% (0.53 2.00 1.66) = 37.450% kept HB2 LYS+ 56 - HN LYS+ 72 16.667% * 26.6504% (1.00 0.75 0.22) = 26.650% kept HB2 LEU 43 - HN LYS+ 72 16.667% * 18.3922% (0.57 0.91 1.10) = 18.392% kept HB3 LYS+ 55 - HN LYS+ 72 16.667% * 12.4423% (0.31 1.13 0.10) = 12.442% kept QB PRO 12 - HN LYS+ 72 16.667% * 2.6845% (0.90 0.08 0.28) = 2.685% kept QD LYS+ 11 - HN LYS+ 72 16.667% * 2.3810% (0.76 0.09 2.56) = 2.381% kept Peak 1443 (1.50, 7.72, 118.24 ppm): 6 chemical-shift based assignments, quality = 0.888, support = 1.18, residual support = 0.96: HG3 LYS+ 17 - HN LYS+ 72 16.667% * 53.8724% (0.98 1.58 1.66) = 53.872% kept HG12 ILE 95 - HN LYS+ 72 16.667% * 22.8389% (0.95 0.70 0.19) = 22.839% kept HG2 ARG+ 48 - HN LYS+ 72 16.667% * 19.5261% (0.69 0.82 0.10) = 19.526% kept HB3 PHE 84 - HN LYS+ 72 16.667% * 3.2063% (0.31 0.30 0.02) = 3.206% kept HG3 PRO 25 - HN LYS+ 72 16.667% * 0.4491% (0.65 0.02 0.02) = 0.449% HB3 GLU- 23 - HN LYS+ 72 16.667% * 0.1071% (0.15 0.02 1.03) = 0.107% Peak 1444 (0.75, 7.72, 118.24 ppm): 4 chemical-shift based assignments, quality = 0.74, support = 4.79, residual support = 23.4: QG2 VAL 71 - HN LYS+ 72 25.000% * 54.1843% (0.73 6.64 42.01) = 54.184% kept QG1 VAL 61 - HN LYS+ 72 25.000% * 22.0048% (0.57 3.46 1.90) = 22.005% kept QD1 LEU 43 - HN LYS+ 72 25.000% * 21.7078% (0.99 1.95 1.10) = 21.708% kept QG1 ILE 96 - HN LYS+ 72 25.000% * 2.1030% (0.31 0.61 0.02) = 2.103% kept Peak 1445 (0.32, 7.72, 118.24 ppm): 4 chemical-shift based assignments, quality = 0.752, support = 4.88, residual support = 35.7: QG1 VAL 71 - HN LYS+ 72 25.000% * 85.0121% (0.73 5.61 42.01) = 85.012% kept QG1 VAL 7 - HN LYS+ 72 25.000% * 14.5423% (0.92 0.75 0.10) = 14.542% kept QD1 LEU 63 - HN LYS+ 72 25.000% * 0.3032% (0.73 0.02 0.02) = 0.303% QD1 ILE 24 - HN LYS+ 72 25.000% * 0.1424% (0.34 0.02 0.02) = 0.142% Peak 1446 (3.98, 8.55, 119.62 ppm): 4 chemical-shift based assignments, quality = 0.596, support = 4.7, residual support = 27.0: O HA LYS+ 72 - HN ASP- 73 25.000% * 96.7139% (0.61 10.0 4.82 27.95) = 96.714% kept HB THR 51 - HN ASP- 73 25.000% * 3.1211% (0.31 1.0 1.27 0.02) = 3.121% kept HB2 SER 15 - HN ASP- 73 25.000% * 0.1158% (0.73 1.0 0.02 0.02) = 0.116% HA1 GLY 5 - HN ASP- 73 25.000% * 0.0492% (0.31 1.0 0.02 0.02) = 0.049% Peak 1447 (4.32, 8.55, 119.62 ppm): 7 chemical-shift based assignments, quality = 0.764, support = 4.82, residual support = 16.0: O HA ASP- 73 - HN ASP- 73 14.286% * 94.5402% (0.76 10.0 5.06 16.89) = 94.540% kept HA PHE 28 - HN ASP- 73 14.286% * 2.8137% (0.61 1.0 0.75 0.02) = 2.814% kept HA ALA 2 - HN ASP- 73 14.286% * 2.4953% (0.98 1.0 0.41 0.02) = 2.495% kept HB THR 4 - HN ASP- 73 14.286% * 0.0651% (0.53 1.0 0.02 0.02) = 0.065% HA THR 4 - HN ASP- 73 14.286% * 0.0422% (0.34 1.0 0.02 0.02) = 0.042% HA ILE 38 - HN ASP- 73 14.286% * 0.0245% (0.20 1.0 0.02 0.02) = 0.024% HA PRO 12 - HN ASP- 73 14.286% * 0.0191% (0.15 1.0 0.02 0.02) = 0.019% Peak 1448 (4.45, 8.55, 119.62 ppm): 9 chemical-shift based assignments, quality = 0.61, support = 1.59, residual support = 1.78: HA TYR 31 - HN ASP- 73 11.111% * 33.6867% (0.84 1.44 0.79) = 33.687% kept HA VAL 61 - HN ASP- 73 11.111% * 29.5258% (0.53 2.00 1.17) = 29.526% kept HA ASN 74 - HN ASP- 73 11.111% * 13.6676% (0.15 3.16 8.50) = 13.668% kept HB THR 64 - HN ASP- 73 11.111% * 7.5924% (0.90 0.30 0.02) = 7.592% kept HA GLU- 6 - HN ASP- 73 11.111% * 7.1941% (0.87 0.30 0.02) = 7.194% kept HA ASN 69 - HN ASP- 73 11.111% * 3.7656% (0.18 0.77 0.02) = 3.766% kept HA ASN 100 - HN ASP- 73 11.111% * 1.7838% (0.18 0.36 0.02) = 1.784% kept HA1 GLY 98 - HN ASP- 73 11.111% * 1.6660% (0.41 0.14 0.02) = 1.666% kept HA TRP 67 - HN ASP- 73 11.111% * 1.1179% (0.49 0.08 0.02) = 1.118% kept Peak 1449 (2.95, 8.55, 119.62 ppm): 8 chemical-shift based assignments, quality = 0.835, support = 1.06, residual support = 0.318: HB3 PHE 9 - HN ASP- 73 12.500% * 34.8169% (0.98 1.42 0.39) = 34.817% kept QE LYS+ 17 - HN ASP- 73 12.500% * 26.6419% (0.92 1.15 0.52) = 26.642% kept HE3 LYS+ 60 - HN ASP- 73 12.500% * 14.8220% (0.73 0.81 0.10) = 14.822% kept HB2 ASP- 89 - HN ASP- 73 12.500% * 10.2355% (0.80 0.51 0.25) = 10.235% kept HD3 ARG+ 48 - HN ASP- 73 12.500% * 9.9966% (0.49 0.82 0.02) = 9.997% kept HD3 ARG+ 88 - HN ASP- 73 12.500% * 2.4230% (0.41 0.24 0.02) = 2.423% kept QB ASN 29 - HN ASP- 73 12.500% * 0.7197% (0.28 0.10 0.02) = 0.720% QE LYS+ 55 - HN ASP- 73 12.500% * 0.3445% (0.69 0.02 0.02) = 0.344% Peak 1450 (2.75, 8.55, 119.62 ppm): 5 chemical-shift based assignments, quality = 0.446, support = 0.0621, residual support = 0.02: HB3 TYR 93 - HN ASP- 73 20.000% * 34.6190% (0.38 0.09 0.02) = 34.619% kept HB3 TYR 97 - HN ASP- 73 20.000% * 28.6794% (0.31 0.09 0.02) = 28.679% kept QB ASP- 78 - HN ASP- 73 20.000% * 15.5474% (0.73 0.02 0.02) = 15.547% kept HB2 ASN 100 - HN ASP- 73 20.000% * 13.8508% (0.65 0.02 0.02) = 13.851% kept HB3 PHE 28 - HN ASP- 73 20.000% * 7.3034% (0.34 0.02 0.02) = 7.303% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1451 (2.67, 8.55, 119.62 ppm): 5 chemical-shift based assignments, quality = 0.725, support = 2.74, residual support = 16.9: O HB3 ASP- 73 - HN ASP- 73 20.000% * 99.8285% (0.73 10.0 2.75 16.89) = 99.829% kept HD2 PRO 25 - HN ASP- 73 20.000% * 0.0565% (0.41 1.0 0.02 0.02) = 0.057% QG MET 101 - HN ASP- 73 20.000% * 0.0424% (0.31 1.0 0.02 0.02) = 0.042% HG2 MET 10 - HN ASP- 73 20.000% * 0.0382% (0.28 1.0 0.02 0.22) = 0.038% QB ASP- 3 - HN ASP- 73 20.000% * 0.0343% (0.25 1.0 0.02 0.02) = 0.034% Peak 1452 (2.40, 8.55, 119.62 ppm): 4 chemical-shift based assignments, quality = 0.917, support = 0.86, residual support = 1.05: HB2 GLN 8 - HN ASP- 73 25.000% * 61.6733% (0.98 1.12 1.56) = 61.673% kept HB3 ASP- 89 - HN ASP- 73 25.000% * 26.1723% (0.95 0.49 0.25) = 26.172% kept HG3 GLU- 68 - HN ASP- 73 25.000% * 11.5169% (0.57 0.36 0.21) = 11.517% kept HE3 LYS+ 56 - HN ASP- 73 25.000% * 0.6374% (0.57 0.02 0.02) = 0.637% Peak 1453 (1.85, 8.55, 119.62 ppm): 9 chemical-shift based assignments, quality = 0.694, support = 2.72, residual support = 10.2: QB LYS+ 72 - HN ASP- 73 11.111% * 34.1139% (0.45 5.48 27.95) = 34.114% kept HB3 PRO 33 - HN ASP- 73 11.111% * 19.5916% (0.76 1.85 1.61) = 19.592% kept HG3 PRO 33 - HN ASP- 73 11.111% * 16.7760% (0.92 1.31 1.61) = 16.776% kept QE MET 10 - HN ASP- 73 11.111% * 15.1491% (0.90 1.22 0.22) = 15.149% kept HB3 LYS+ 11 - HN ASP- 73 11.111% * 7.8367% (0.69 0.82 0.02) = 7.837% kept HB3 ARG+ 90 - HN ASP- 73 11.111% * 3.1514% (0.97 0.24 0.24) = 3.151% kept QB MET 54 - HN ASP- 73 11.111% * 3.1067% (0.53 0.43 0.02) = 3.107% kept HD3 PRO 25 - HN ASP- 73 11.111% * 0.1798% (0.65 0.02 0.02) = 0.180% HB ILE 24 - HN ASP- 73 11.111% * 0.0948% (0.34 0.02 0.02) = 0.095% Peak 1454 (1.49, 8.55, 119.62 ppm): 7 chemical-shift based assignments, quality = 0.665, support = 2.0, residual support = 9.59: HG3 LYS+ 72 - HN ASP- 73 14.286% * 33.5936% (0.28 4.20 27.95) = 33.594% kept HG3 LYS+ 17 - HN ASP- 73 14.286% * 31.0070% (0.84 1.29 0.52) = 31.007% kept HG12 ILE 95 - HN ASP- 73 14.286% * 18.5447% (0.90 0.72 0.18) = 18.545% kept HG2 ARG+ 48 - HN ASP- 73 14.286% * 8.8367% (1.00 0.31 0.02) = 8.837% kept HB3 PHE 84 - HN ASP- 73 14.286% * 7.5875% (0.76 0.35 0.02) = 7.587% kept HB3 GLU- 23 - HN ASP- 73 14.286% * 0.3026% (0.53 0.02 0.02) = 0.303% HG3 PRO 25 - HN ASP- 73 14.286% * 0.1280% (0.22 0.02 0.02) = 0.128% Peak 1455 (0.74, 8.55, 119.62 ppm): 4 chemical-shift based assignments, quality = 0.743, support = 2.04, residual support = 0.855: QG1 VAL 61 - HN ASP- 73 25.000% * 44.3687% (0.97 1.84 1.17) = 44.369% kept QD1 LEU 43 - HN ASP- 73 25.000% * 26.0468% (0.80 1.30 0.46) = 26.047% kept QG2 VAL 71 - HN ASP- 73 25.000% * 24.5669% (0.28 3.54 0.88) = 24.567% kept QG1 ILE 96 - HN ASP- 73 25.000% * 5.0177% (0.76 0.26 0.02) = 5.018% kept Peak 1456 (4.47, 6.74, 112.74 ppm): 18 chemical-shift based assignments, quality = 0.576, support = 3.05, residual support = 16.5: O HA ASN 74 - HN ASN 74 5.556% * 81.9930% (0.53 10.0 3.49 19.98) = 81.993% kept HA TYR 31 - HN ASN 74 5.556% * 10.2172% (0.98 1.0 1.34 0.24) = 10.217% kept HA VAL 61 - HN ASN 74 5.556% * 3.9160% (0.95 1.0 0.53 0.02) = 3.916% kept HA VAL 7 - HN ASN 74 5.556% * 1.8034% (0.15 1.0 1.50 2.94) = 1.803% kept HA GLU- 6 - HN ASN 74 5.556% * 1.2194% (0.41 1.0 0.38 0.02) = 1.219% kept HB THR 64 - HN ASN 74 5.556% * 0.5711% (0.45 1.0 0.16 0.02) = 0.571% HA ASN 100 - HN ASN 74 5.556% * 0.0882% (0.57 1.0 0.02 0.02) = 0.088% HA ASN 69 - HN ASN 74 5.556% * 0.0882% (0.57 1.0 0.02 0.02) = 0.088% HA LYS+ 60 - HN ASN 74 5.556% * 0.0481% (0.31 1.0 0.02 0.02) = 0.048% HA TYR 31 - HD22 ASN 75 5.556% * 0.0110% (0.07 1.0 0.02 0.20) = 0.011% HA VAL 61 - HD22 ASN 75 5.556% * 0.0107% (0.07 1.0 0.02 0.02) = 0.011% HA ASN 100 - HD22 ASN 75 5.556% * 0.0064% (0.04 1.0 0.02 0.02) = 0.006% HA ASN 69 - HD22 ASN 75 5.556% * 0.0064% (0.04 1.0 0.02 0.02) = 0.006% HA ASN 74 - HD22 ASN 75 5.556% * 0.0059% (0.04 1.0 0.02 29.18) = 0.006% HB THR 64 - HD22 ASN 75 5.556% * 0.0051% (0.03 1.0 0.02 0.02) = 0.005% HA GLU- 6 - HD22 ASN 75 5.556% * 0.0046% (0.03 1.0 0.02 0.02) = 0.005% HA LYS+ 60 - HD22 ASN 75 5.556% * 0.0035% (0.02 1.0 0.02 0.02) = 0.003% HA VAL 7 - HD22 ASN 75 5.556% * 0.0017% (0.01 1.0 0.02 0.88) = 0.002% Peak 1457 (4.30, 6.74, 112.74 ppm): 6 chemical-shift based assignments, quality = 0.69, support = 0.175, residual support = 0.0231: HA PHE 28 - HN ASN 74 16.667% * 43.5905% (0.80 0.19 0.02) = 43.591% kept HA PRO 12 - HN ASN 74 16.667% * 26.7333% (0.97 0.10 0.02) = 26.733% kept HA ALA 2 - HN ASN 74 16.667% * 23.0426% (0.34 0.24 0.02) = 23.043% kept HA PRO 12 - HD22 ASN 75 16.667% * 3.3227% (0.07 0.17 0.02) = 3.323% kept HA PHE 28 - HD22 ASN 75 16.667% * 3.1698% (0.06 0.19 0.12) = 3.170% kept HA ALA 2 - HD22 ASN 75 16.667% * 0.1411% (0.02 0.02 0.02) = 0.141% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1458 (3.73, 6.74, 112.74 ppm): 6 chemical-shift based assignments, quality = 0.644, support = 0.0833, residual support = 0.0199: HD2 PRO 35 - HN ASN 74 16.667% * 67.3022% (0.76 0.09 0.02) = 67.302% kept HA2 GLY 47 - HN ASN 74 16.667% * 14.4392% (0.76 0.02 0.02) = 14.439% kept HA2 GLY 47 - HD22 ASN 75 16.667% * 6.6034% (0.06 0.13 0.02) = 6.603% kept HD2 PRO 35 - HD22 ASN 75 16.667% * 6.6034% (0.06 0.13 0.02) = 6.603% kept HA2 GLY 79 - HN ASN 74 16.667% * 4.7112% (0.25 0.02 0.02) = 4.711% kept HA2 GLY 79 - HD22 ASN 75 16.667% * 0.3405% (0.02 0.02 0.02) = 0.341% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1459 (2.85, 6.74, 112.74 ppm): 4 chemical-shift based assignments, quality = 0.351, support = 4.53, residual support = 39.7: HB2 ASN 75 - HN ASN 74 25.000% * 73.8890% (0.45 1.0 5.06 29.18) = 73.889% kept O HB2 ASN 75 - HD22 ASN 75 25.000% * 21.1232% (0.03 10.0 3.62 85.93) = 21.123% kept HB2 TYR 31 - HN ASN 74 25.000% * 4.7437% (0.28 1.0 0.52 0.24) = 4.744% kept HB2 TYR 31 - HD22 ASN 75 25.000% * 0.2440% (0.02 1.0 0.37 0.20) = 0.244% Peak 1460 (2.11, 6.74, 112.74 ppm): 18 chemical-shift based assignments, quality = 0.567, support = 1.53, residual support = 2.41: HG2 MET 54 - HN ASN 74 5.556% * 43.0327% (0.57 2.10 2.81) = 43.033% kept HB2 MET 1 - HN ASN 74 5.556% * 23.0813% (0.97 0.66 0.30) = 23.081% kept QB MET 10 - HN ASN 74 5.556% * 23.0333% (0.38 1.70 4.79) = 23.033% kept HB2 LYS+ 11 - HN ASN 74 5.556% * 5.5464% (0.14 1.13 0.12) = 5.546% kept HB ILE 85 - HN ASN 74 5.556% * 3.5492% (0.18 0.56 0.63) = 3.549% kept HB3 PRO 37 - HN ASN 74 5.556% * 0.6276% (0.87 0.02 0.02) = 0.628% HB2 GLU- 16 - HN ASN 74 5.556% * 0.5794% (0.80 0.02 0.02) = 0.579% QB ARG+ 88 - HN ASN 74 5.556% * 0.1804% (0.25 0.02 0.02) = 0.180% HB3 MET 101 - HN ASN 74 5.556% * 0.1432% (0.20 0.02 0.02) = 0.143% HB2 MET 1 - HD22 ASN 75 5.556% * 0.0505% (0.07 0.02 0.02) = 0.050% HB3 PRO 37 - HD22 ASN 75 5.556% * 0.0454% (0.06 0.02 0.02) = 0.045% HB2 GLU- 16 - HD22 ASN 75 5.556% * 0.0419% (0.06 0.02 0.02) = 0.042% HG2 MET 54 - HD22 ASN 75 5.556% * 0.0296% (0.04 0.02 0.18) = 0.030% QB MET 10 - HD22 ASN 75 5.556% * 0.0196% (0.03 0.02 0.02) = 0.020% QB ARG+ 88 - HD22 ASN 75 5.556% * 0.0130% (0.02 0.02 0.02) = 0.013% HB3 MET 101 - HD22 ASN 75 5.556% * 0.0103% (0.01 0.02 0.02) = 0.010% HB ILE 85 - HD22 ASN 75 5.556% * 0.0092% (0.01 0.02 2.45) = 0.009% HB2 LYS+ 11 - HD22 ASN 75 5.556% * 0.0071% (0.01 0.02 0.02) = 0.007% Peak 1461 (1.86, 6.74, 112.74 ppm): 18 chemical-shift based assignments, quality = 0.851, support = 1.69, residual support = 1.87: QB LYS+ 72 - HN ASN 74 5.556% * 25.9486% (0.90 2.11 1.71) = 25.949% kept QE MET 10 - HN ASN 74 5.556% * 18.0902% (0.45 2.94 4.79) = 18.090% kept HB3 PRO 33 - HN ASN 74 5.556% * 17.7534% (1.00 1.29 0.32) = 17.753% kept QB MET 54 - HN ASN 74 5.556% * 16.1302% (0.95 1.24 2.81) = 16.130% kept HG3 PRO 33 - HN ASN 74 5.556% * 11.8384% (0.92 0.93 0.32) = 11.838% kept HB3 LYS+ 11 - HN ASN 74 5.556% * 9.8516% (1.00 0.72 0.12) = 9.852% kept HB3 ARG+ 90 - HN ASN 74 5.556% * 0.1556% (0.57 0.02 0.02) = 0.156% HD3 PRO 25 - HN ASN 74 5.556% * 0.0612% (0.22 0.02 0.02) = 0.061% QB PHE 70 - HN ASN 74 5.556% * 0.0481% (0.18 0.02 0.02) = 0.048% HB3 LYS+ 11 - HD22 ASN 75 5.556% * 0.0198% (0.07 0.02 0.02) = 0.020% HB3 PRO 33 - HD22 ASN 75 5.556% * 0.0198% (0.07 0.02 0.02) = 0.020% QB MET 54 - HD22 ASN 75 5.556% * 0.0188% (0.07 0.02 0.18) = 0.019% HG3 PRO 33 - HD22 ASN 75 5.556% * 0.0183% (0.07 0.02 0.02) = 0.018% QB LYS+ 72 - HD22 ASN 75 5.556% * 0.0178% (0.06 0.02 0.55) = 0.018% HB3 ARG+ 90 - HD22 ASN 75 5.556% * 0.0112% (0.04 0.02 0.41) = 0.011% QE MET 10 - HD22 ASN 75 5.556% * 0.0089% (0.03 0.02 0.02) = 0.009% HD3 PRO 25 - HD22 ASN 75 5.556% * 0.0044% (0.02 0.02 0.02) = 0.004% QB PHE 70 - HD22 ASN 75 5.556% * 0.0035% (0.01 0.02 0.02) = 0.003% Peak 1462 (1.43, 6.74, 112.74 ppm): 8 chemical-shift based assignments, quality = 0.443, support = 3.3, residual support = 19.0: O HB3 ASN 74 - HN ASN 74 12.500% * 95.1167% (0.45 10.0 3.41 19.98) = 95.117% kept HB2 LEU 63 - HN ASN 74 12.500% * 4.5412% (0.38 1.0 1.14 0.02) = 4.541% kept HG13 ILE 38 - HN ASN 74 12.500% * 0.2122% (1.00 1.0 0.02 0.02) = 0.212% HB3 LYS+ 60 - HN ASN 74 12.500% * 0.0951% (0.45 1.0 0.02 0.02) = 0.095% HG13 ILE 38 - HD22 ASN 75 12.500% * 0.0153% (0.07 1.0 0.02 0.02) = 0.015% HB3 ASN 74 - HD22 ASN 75 12.500% * 0.0069% (0.03 1.0 0.02 29.18) = 0.007% HB3 LYS+ 60 - HD22 ASN 75 12.500% * 0.0069% (0.03 1.0 0.02 0.02) = 0.007% HB2 LEU 63 - HD22 ASN 75 12.500% * 0.0058% (0.03 1.0 0.02 0.02) = 0.006% Peak 1463 (0.78, 6.74, 112.74 ppm): 12 chemical-shift based assignments, quality = 0.46, support = 1.69, residual support = 7.94: QG2 VAL 71 - HN ASN 74 8.333% * 50.0560% (0.73 1.51 0.49) = 50.056% kept HB2 LEU 76 - HN ASN 74 8.333% * 25.3729% (0.22 2.49 25.68) = 25.373% kept QD1 LEU 43 - HN ASN 74 8.333% * 11.4964% (0.22 1.13 0.47) = 11.496% kept HG LEU 22 - HN ASN 74 8.333% * 6.0065% (0.20 0.66 0.81) = 6.006% kept QG2 VAL 71 - HD22 ASN 75 8.333% * 2.8683% (0.05 1.19 2.55) = 2.868% kept HB2 LEU 76 - HD22 ASN 75 8.333% * 2.5349% (0.02 3.44 39.69) = 2.535% kept QD1 LEU 43 - HD22 ASN 75 8.333% * 1.0039% (0.02 1.36 0.13) = 1.004% kept QG2 ILE 96 - HN ASN 74 8.333% * 0.3762% (0.41 0.02 4.55) = 0.376% QG2 VAL 61 - HN ASN 74 8.333% * 0.2282% (0.25 0.02 0.02) = 0.228% QG2 ILE 96 - HD22 ASN 75 8.333% * 0.0272% (0.03 0.02 0.02) = 0.027% QG2 VAL 61 - HD22 ASN 75 8.333% * 0.0165% (0.02 0.02 0.02) = 0.016% HG LEU 22 - HD22 ASN 75 8.333% * 0.0131% (0.01 0.02 0.02) = 0.013% Peak 1464 (0.60, 6.74, 112.74 ppm): 8 chemical-shift based assignments, quality = 0.211, support = 0.171, residual support = 0.0987: QG2 ILE 24 - HN ASN 74 12.500% * 40.5750% (0.31 0.10 0.02) = 40.575% kept QD1 LEU 42 - HN ASN 74 12.500% * 20.3465% (0.15 0.10 0.02) = 20.347% kept QD1 LEU 42 - HD22 ASN 75 12.500% * 11.4764% (0.01 0.78 0.02) = 11.476% kept QD2 LEU 22 - HN ASN 74 12.500% * 9.8994% (0.38 0.02 0.81) = 9.899% kept QD2 LEU 22 - HD22 ASN 75 12.500% * 6.1480% (0.03 0.17 0.02) = 6.148% kept QD2 LEU 63 - HN ASN 74 12.500% * 5.8723% (0.22 0.02 0.02) = 5.872% kept QD2 LEU 63 - HD22 ASN 75 12.500% * 3.4691% (0.02 0.16 0.02) = 3.469% kept QG2 ILE 24 - HD22 ASN 75 12.500% * 2.2133% (0.02 0.08 0.02) = 2.213% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1465 (0.40, 6.74, 112.74 ppm): 4 chemical-shift based assignments, quality = 0.606, support = 5.07, residual support = 26.5: QD1 LEU 76 - HN ASN 74 25.000% * 76.0797% (0.73 5.52 25.68) = 76.080% kept QD2 LEU 76 - HN ASN 74 25.000% * 18.3184% (0.28 3.47 25.68) = 18.318% kept QD1 LEU 76 - HD22 ASN 75 25.000% * 4.3380% (0.05 4.35 39.69) = 4.338% kept QD2 LEU 76 - HD22 ASN 75 25.000% * 1.2639% (0.02 3.31 39.69) = 1.264% kept Peak 1466 (4.47, 7.67, 117.95 ppm): 9 chemical-shift based assignments, quality = 0.522, support = 3.76, residual support = 28.9: O HA ASN 74 - HN ASN 75 11.111% * 99.1742% (0.53 10.0 3.79 29.18) = 99.174% kept HA TYR 31 - HN ASN 75 11.111% * 0.1848% (0.98 1.0 0.02 0.20) = 0.185% HA VAL 61 - HN ASN 75 11.111% * 0.1783% (0.95 1.0 0.02 0.02) = 0.178% HA ASN 69 - HN ASN 75 11.111% * 0.1067% (0.57 1.0 0.02 0.02) = 0.107% HA ASN 100 - HN ASN 75 11.111% * 0.1067% (0.57 1.0 0.02 0.02) = 0.107% HB THR 64 - HN ASN 75 11.111% * 0.0845% (0.45 1.0 0.02 0.02) = 0.085% HA GLU- 6 - HN ASN 75 11.111% * 0.0775% (0.41 1.0 0.02 0.02) = 0.077% HA LYS+ 60 - HN ASN 75 11.111% * 0.0582% (0.31 1.0 0.02 0.02) = 0.058% HA VAL 7 - HN ASN 75 11.111% * 0.0291% (0.15 1.0 0.02 0.88) = 0.029% Peak 1467 (3.97, 7.67, 117.95 ppm): 3 chemical-shift based assignments, quality = 0.332, support = 0.654, residual support = 0.339: HA LYS+ 72 - HN ASN 75 33.333% * 60.2087% (0.20 0.99 0.55) = 60.209% kept HB THR 51 - HN ASN 75 33.333% * 21.0534% (0.76 0.09 0.02) = 21.053% kept HB2 SER 15 - HN ASN 75 33.333% * 18.7378% (0.28 0.22 0.02) = 18.738% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1468 (2.85, 7.67, 117.95 ppm): 2 chemical-shift based assignments, quality = 0.448, support = 5.15, residual support = 85.9: O HB2 ASN 75 - HN ASN 75 50.000% * 99.9380% (0.45 10.0 5.15 85.93) = 99.938% kept HB2 TYR 31 - HN ASN 75 50.000% * 0.0620% (0.28 1.0 0.02 0.20) = 0.062% Peak 1469 (2.54, 7.67, 117.95 ppm): 8 chemical-shift based assignments, quality = 0.87, support = 4.41, residual support = 82.2: O HB3 ASN 75 - HN ASN 75 12.500% * 95.6886% (0.90 10.0 4.53 85.93) = 95.689% kept HE2 LYS+ 56 - HN ASN 75 12.500% * 3.5919% (0.34 1.0 1.97 0.52) = 3.592% kept HB3 TYR 81 - HN ASN 75 12.500% * 0.4725% (0.61 1.0 0.15 0.02) = 0.472% HB3 ASP- 41 - HN ASN 75 12.500% * 0.1030% (0.97 1.0 0.02 0.02) = 0.103% HG3 MET 1 - HN ASN 75 12.500% * 0.0604% (0.57 1.0 0.02 0.02) = 0.060% QB PHE 62 - HN ASN 75 12.500% * 0.0439% (0.41 1.0 0.02 0.02) = 0.044% HB2 ARG+ 90 - HN ASN 75 12.500% * 0.0211% (0.20 1.0 0.02 0.41) = 0.021% HB3 PHE 13 - HN ASN 75 12.500% * 0.0187% (0.18 1.0 0.02 0.02) = 0.019% Peak 1470 (2.07, 7.67, 117.95 ppm): 7 chemical-shift based assignments, quality = 0.572, support = 0.463, residual support = 0.113: HG2 MET 54 - HN ASN 75 14.286% * 59.7316% (0.41 0.70 0.18) = 59.732% kept HG3 GLN 83 - HN ASN 75 14.286% * 28.0002% (0.92 0.15 0.02) = 28.000% kept HB2 LYS+ 11 - HN ASN 75 14.286% * 3.8351% (0.92 0.02 0.02) = 3.835% kept HB2 GLU- 16 - HN ASN 75 14.286% * 3.7082% (0.22 0.08 0.02) = 3.708% kept QB ARG+ 88 - HN ASN 75 14.286% * 3.1750% (0.76 0.02 0.02) = 3.175% kept QG PRO 12 - HN ASN 75 14.286% * 0.8222% (0.20 0.02 0.02) = 0.822% HB3 PRO 37 - HN ASN 75 14.286% * 0.7276% (0.18 0.02 0.02) = 0.728% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1471 (1.43, 7.67, 117.95 ppm): 4 chemical-shift based assignments, quality = 0.437, support = 5.2, residual support = 26.3: HB3 ASN 74 - HN ASN 75 25.000% * 90.0439% (0.45 5.71 29.18) = 90.044% kept HB2 LEU 63 - HN ASN 75 25.000% * 8.9372% (0.38 0.68 0.02) = 8.937% kept HG13 ILE 38 - HN ASN 75 25.000% * 0.7036% (1.00 0.02 0.02) = 0.704% HB3 LYS+ 60 - HN ASN 75 25.000% * 0.3154% (0.45 0.02 0.02) = 0.315% Peak 1472 (0.96, 7.67, 117.95 ppm): 6 chemical-shift based assignments, quality = 0.911, support = 1.39, residual support = 0.718: QD2 LEU 82 - HN ASN 75 16.667% * 46.4573% (0.99 1.87 0.88) = 46.457% kept HG3 LYS+ 56 - HN ASN 75 16.667% * 29.3968% (0.92 1.27 0.52) = 29.397% kept QG2 ILE 14 - HN ASN 75 16.667% * 14.5735% (0.90 0.65 0.11) = 14.573% kept QG2 ILE 85 - HN ASN 75 16.667% * 5.7646% (0.28 0.83 2.45) = 5.765% kept QG2 VAL 52 - HN ASN 75 16.667% * 3.3343% (0.98 0.14 0.02) = 3.334% kept HB3 ARG+ 48 - HN ASN 75 16.667% * 0.4735% (0.95 0.02 0.02) = 0.473% Peak 1473 (0.75, 7.67, 117.95 ppm): 4 chemical-shift based assignments, quality = 0.737, support = 3.19, residual support = 2.04: QG2 VAL 71 - HN ASN 75 25.000% * 79.1223% (0.73 3.88 2.55) = 79.122% kept QD1 LEU 43 - HN ASN 75 25.000% * 14.5512% (0.99 0.52 0.13) = 14.551% kept QG1 ILE 96 - HN ASN 75 25.000% * 6.0089% (0.31 0.69 0.02) = 6.009% kept QG1 VAL 61 - HN ASN 75 25.000% * 0.3176% (0.57 0.02 0.02) = 0.318% Peak 1474 (0.39, 7.67, 117.95 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 5.56, residual support = 39.7: QD1 LEU 76 - HN ASN 75 100.000% *100.0000% (0.28 5.56 39.69) = 100.000% kept Peak 1475 (2.85, 7.44, 112.96 ppm): 2 chemical-shift based assignments, quality = 0.439, support = 3.62, residual support = 85.9: O HB2 ASN 75 - HD21 ASN 75 50.000% * 99.9380% (0.44 10.0 3.62 85.93) = 99.938% kept HB2 TYR 31 - HD21 ASN 75 50.000% * 0.0620% (0.27 1.0 0.02 0.20) = 0.062% Peak 1476 (2.52, 7.44, 112.96 ppm): 5 chemical-shift based assignments, quality = 0.513, support = 3.41, residual support = 85.5: O HB3 ASN 75 - HD21 ASN 75 20.000% * 99.4899% (0.52 10.0 3.43 85.93) = 99.490% kept HB2 ARG+ 90 - HD21 ASN 75 20.000% * 0.1854% (0.96 1.0 0.02 0.41) = 0.185% QB PHE 62 - HD21 ASN 75 20.000% * 0.1825% (0.95 1.0 0.02 0.02) = 0.182% HB3 ASP- 41 - HD21 ASN 75 20.000% * 0.0777% (0.40 1.0 0.02 0.02) = 0.078% HG2 GLU- 68 - HD21 ASN 75 20.000% * 0.0645% (0.33 1.0 0.02 0.02) = 0.065% Peak 1477 (2.85, 6.71, 112.96 ppm): 4 chemical-shift based assignments, quality = 0.439, support = 3.6, residual support = 83.9: O HB2 ASN 75 - HD22 ASN 75 25.000% * 96.9932% (0.45 10.0 3.62 85.93) = 96.993% kept HB2 ASN 75 - HN ASN 74 25.000% * 1.7726% (0.03 1.0 5.06 29.18) = 1.773% kept HB2 TYR 31 - HD22 ASN 75 25.000% * 1.1205% (0.28 1.0 0.37 0.20) = 1.120% kept HB2 TYR 31 - HN ASN 74 25.000% * 0.1138% (0.02 1.0 0.52 0.24) = 0.114% Peak 1478 (2.52, 6.71, 112.96 ppm): 10 chemical-shift based assignments, quality = 0.552, support = 3.24, residual support = 78.3: O HB3 ASN 75 - HD22 ASN 75 10.000% * 90.5955% (0.53 10.0 3.43 85.93) = 90.595% kept HB2 ARG+ 90 - HD22 ASN 75 10.000% * 7.6410% (0.98 1.0 0.91 0.41) = 7.641% kept HB3 ASN 75 - HN ASN 74 10.000% * 1.4342% (0.04 1.0 4.38 29.18) = 1.434% kept QB PHE 62 - HD22 ASN 75 10.000% * 0.1662% (0.97 1.0 0.02 0.02) = 0.166% HB3 ASP- 41 - HD22 ASN 75 10.000% * 0.0708% (0.41 1.0 0.02 0.02) = 0.071% HG2 GLU- 68 - HD22 ASN 75 10.000% * 0.0587% (0.34 1.0 0.02 0.02) = 0.059% HB2 ARG+ 90 - HN ASN 74 10.000% * 0.0122% (0.07 1.0 0.02 0.02) = 0.012% QB PHE 62 - HN ASN 74 10.000% * 0.0120% (0.07 1.0 0.02 0.02) = 0.012% HB3 ASP- 41 - HN ASN 74 10.000% * 0.0051% (0.03 1.0 0.02 0.02) = 0.005% HG2 GLU- 68 - HN ASN 74 10.000% * 0.0042% (0.02 1.0 0.02 0.02) = 0.004% Peak 1479 (3.52, 7.47, 115.83 ppm): 5 chemical-shift based assignments, quality = 0.896, support = 6.43, residual support = 126.6: O HA LEU 76 - HN LEU 76 20.000% * 94.5293% (0.90 10.0 6.75 133.84) = 94.529% kept HA GLU- 23 - HN LEU 76 20.000% * 4.9579% (0.98 1.0 0.96 0.96) = 4.958% kept HB3 SER 15 - HN LEU 76 20.000% * 0.3934% (0.87 1.0 0.09 0.02) = 0.393% QB SER 49 - HN LEU 76 20.000% * 0.0639% (0.61 1.0 0.02 0.02) = 0.064% HD3 PRO 37 - HN LEU 76 20.000% * 0.0555% (0.53 1.0 0.02 0.02) = 0.055% Peak 1480 (2.87, 7.47, 115.83 ppm): 1 chemical-shift based assignment, quality = 0.897, support = 5.75, residual support = 39.7: HB2 ASN 75 - HN LEU 76 100.000% *100.0000% (0.90 5.75 39.69) = 100.000% kept Peak 1481 (2.57, 7.47, 115.83 ppm): 6 chemical-shift based assignments, quality = 0.949, support = 1.45, residual support = 6.35: HE2 LYS+ 56 - HN LEU 76 16.667% * 83.8081% (0.99 1.70 7.42) = 83.808% kept HB3 TYR 81 - HN LEU 76 16.667% * 9.0441% (0.84 0.22 1.37) = 9.044% kept HB3 PHE 13 - HN LEU 76 16.667% * 4.1245% (0.97 0.09 0.02) = 4.125% kept HB3 ASP- 41 - HN LEU 76 16.667% * 1.9406% (0.18 0.22 0.45) = 1.941% kept HG3 MET 1 - HN LEU 76 16.667% * 0.8616% (0.87 0.02 0.02) = 0.862% HD3 PRO 35 - HN LEU 76 16.667% * 0.2211% (0.22 0.02 0.02) = 0.221% Peak 1482 (1.77, 7.47, 115.83 ppm): 10 chemical-shift based assignments, quality = 0.608, support = 0.786, residual support = 4.56: HG LEU 82 - HN LEU 76 10.000% * 34.0875% (0.73 0.91 9.80) = 34.087% kept HD2 LYS+ 55 - HN LEU 76 10.000% * 27.1320% (0.76 0.69 0.42) = 27.132% kept HB2 LYS+ 55 - HN LEU 76 10.000% * 16.5148% (0.69 0.47 0.42) = 16.515% kept HB3 LYS+ 17 - HN LEU 76 10.000% * 15.0667% (0.22 1.31 6.87) = 15.067% kept HB ILE 14 - HN LEU 76 10.000% * 3.4263% (0.18 0.38 0.14) = 3.426% kept HB3 LYS+ 20 - HN LEU 76 10.000% * 0.9512% (0.92 0.02 0.02) = 0.951% HB ILE 95 - HN LEU 76 10.000% * 0.9512% (0.92 0.02 0.02) = 0.951% HG3 ARG+ 53 - HN LEU 76 10.000% * 0.9241% (0.90 0.02 0.02) = 0.924% HB VAL 61 - HN LEU 76 10.000% * 0.7874% (0.76 0.02 0.39) = 0.787% HB3 PRO 25 - HN LEU 76 10.000% * 0.1590% (0.15 0.02 0.02) = 0.159% Peak 1483 (1.46, 7.47, 115.83 ppm): 6 chemical-shift based assignments, quality = 0.737, support = 2.53, residual support = 13.8: HB3 ASN 74 - HN LEU 76 16.667% * 45.6385% (0.53 3.87 25.68) = 45.638% kept HG3 LYS+ 72 - HN LEU 76 16.667% * 39.0743% (1.00 1.74 5.03) = 39.074% kept HB2 LEU 63 - HN LEU 76 16.667% * 9.3464% (0.61 0.69 0.22) = 9.346% kept HB3 GLU- 23 - HN LEU 76 16.667% * 5.4945% (0.90 0.27 0.96) = 5.494% kept HB3 PHE 84 - HN LEU 76 16.667% * 0.3080% (0.69 0.02 0.02) = 0.308% HG2 ARG+ 48 - HN LEU 76 16.667% * 0.1384% (0.31 0.02 0.02) = 0.138% Peak 1484 (0.97, 7.47, 115.83 ppm): 9 chemical-shift based assignments, quality = 0.76, support = 3.32, residual support = 26.7: HG3 LYS+ 56 - HN LEU 76 11.111% * 36.7655% (0.92 3.54 7.42) = 36.766% kept QD2 LEU 82 - HN LEU 76 11.111% * 27.8570% (0.80 3.09 9.80) = 27.857% kept HG LEU 76 - HN LEU 76 11.111% * 15.8021% (0.22 6.30 133.84) = 15.802% kept QG2 ILE 14 - HN LEU 76 11.111% * 11.6058% (0.95 1.09 0.14) = 11.606% kept QG2 ILE 85 - HN LEU 76 11.111% * 5.1137% (0.73 0.63 1.06) = 5.114% kept QG2 VAL 52 - HN LEU 76 11.111% * 2.5862% (0.61 0.38 0.02) = 2.586% kept HB3 ARG+ 48 - HN LEU 76 11.111% * 0.1185% (0.53 0.02 0.02) = 0.119% QG2 THR 64 - HN LEU 76 11.111% * 0.1010% (0.45 0.02 0.02) = 0.101% QG1 VAL 40 - HN LEU 76 11.111% * 0.0502% (0.22 0.02 0.02) = 0.050% Peak 1485 (0.79, 7.47, 115.83 ppm): 6 chemical-shift based assignments, quality = 0.632, support = 5.74, residual support = 107.3: O HB2 LEU 76 - HN LEU 76 16.667% * 76.6962% (0.65 10.0 6.44 133.84) = 76.696% kept QG2 VAL 71 - HN LEU 76 16.667% * 9.8735% (0.28 1.0 5.99 19.14) = 9.873% kept QG2 ILE 96 - HN LEU 76 16.667% * 9.1486% (0.87 1.0 1.78 30.20) = 9.149% kept QG2 VAL 61 - HN LEU 76 16.667% * 4.1916% (0.69 1.0 1.03 0.39) = 4.192% kept HG LEU 22 - HN LEU 76 16.667% * 0.0719% (0.61 1.0 0.02 0.02) = 0.072% HG13 ILE 24 - HN LEU 76 16.667% * 0.0183% (0.15 1.0 0.02 0.42) = 0.018% Peak 1486 (0.41, 7.47, 115.83 ppm): 2 chemical-shift based assignments, quality = 0.891, support = 6.65, residual support = 133.8: QD1 LEU 76 - HN LEU 76 50.000% * 60.2933% (1.00 6.91 133.84) = 60.293% kept QD2 LEU 76 - HN LEU 76 50.000% * 39.7067% (0.73 6.26 133.84) = 39.707% kept Peak 1487 (-0.27, 7.47, 115.83 ppm): 1 chemical-shift based assignment, quality = 0.375, support = 7.0, residual support = 133.8: O HB3 LEU 76 - HN LEU 76 100.000% *100.0000% (0.38 10.0 7.00 133.84) = 100.000% kept Peak 1488 (3.01, 6.42, 117.16 ppm): 7 chemical-shift based assignments, quality = 0.742, support = 0.771, residual support = 0.626: HB2 TYR 97 - HN GLU- 77 14.286% * 38.9150% (0.97 0.76 0.20) = 38.915% kept QE LYS+ 72 - HN GLU- 77 14.286% * 34.9038% (0.69 0.96 1.50) = 34.904% kept HA ARG+ 88 - HN GLU- 77 14.286% * 14.8413% (0.38 0.75 0.14) = 14.841% kept QE LYS+ 11 - HN GLU- 77 14.286% * 9.3373% (0.65 0.27 0.02) = 9.337% kept QE LYS+ 20 - HN GLU- 77 14.286% * 1.0522% (1.00 0.02 0.02) = 1.052% kept HB3 ASN 69 - HN GLU- 77 14.286% * 0.7657% (0.73 0.02 0.02) = 0.766% HE2 LYS+ 60 - HN GLU- 77 14.286% * 0.1847% (0.18 0.02 0.02) = 0.185% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1489 (4.81, 6.42, 117.16 ppm): 2 chemical-shift based assignments, quality = 0.894, support = 0.02, residual support = 0.467: HA TYR 81 - HN GLU- 77 50.000% * 53.1071% (0.95 0.02 0.86) = 53.107% kept HA TRP 50 - HN GLU- 77 50.000% * 46.8929% (0.84 0.02 0.02) = 46.893% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1490 (2.19, 6.42, 117.16 ppm): 9 chemical-shift based assignments, quality = 0.689, support = 4.2, residual support = 45.4: O HB2 GLU- 77 - HN GLU- 77 11.111% * 85.6166% (0.73 10.0 4.12 45.58) = 85.617% kept QG GLU- 77 - HN GLU- 77 11.111% * 13.8843% (0.49 1.0 4.84 45.58) = 13.884% kept HB2 LEU 42 - HN GLU- 77 11.111% * 0.1115% (0.95 1.0 0.02 0.02) = 0.112% QB GLU- 68 - HN GLU- 77 11.111% * 0.1057% (0.90 1.0 0.02 0.02) = 0.106% QG GLU- 6 - HN GLU- 77 11.111% * 0.0901% (0.76 1.0 0.02 0.02) = 0.090% HB2 MET 101 - HN GLU- 77 11.111% * 0.0763% (0.65 1.0 0.02 0.02) = 0.076% HB2 PHE 84 - HN GLU- 77 11.111% * 0.0668% (0.57 1.0 0.02 0.02) = 0.067% HB2 LEU 82 - HN GLU- 77 11.111% * 0.0328% (0.28 1.0 0.02 1.07) = 0.033% HB2 GLU- 59 - HN GLU- 77 11.111% * 0.0160% (0.14 1.0 0.02 0.02) = 0.016% Peak 1491 (1.94, 6.42, 117.16 ppm): 9 chemical-shift based assignments, quality = 0.629, support = 4.19, residual support = 43.9: O HB3 GLU- 77 - HN GLU- 77 11.111% * 96.0537% (0.65 10.0 4.32 45.58) = 96.054% kept HB VAL 71 - HN GLU- 77 11.111% * 2.6521% (0.28 1.0 1.28 3.23) = 2.652% kept HB3 GLU- 16 - HN GLU- 77 11.111% * 0.6136% (0.73 1.0 0.11 0.02) = 0.614% HB3 ARG+ 53 - HN GLU- 77 11.111% * 0.1433% (0.97 1.0 0.02 0.02) = 0.143% HB3 TYR 31 - HN GLU- 77 11.111% * 0.1433% (0.97 1.0 0.02 0.02) = 0.143% QG PRO 37 - HN GLU- 77 11.111% * 0.1433% (0.97 1.0 0.02 0.02) = 0.143% QB GLU- 6 - HN GLU- 77 11.111% * 0.1135% (0.76 1.0 0.02 0.02) = 0.113% HB2 LYS+ 60 - HN GLU- 77 11.111% * 0.1078% (0.73 1.0 0.02 0.02) = 0.108% HB3 GLN 83 - HN GLU- 77 11.111% * 0.0294% (0.20 1.0 0.02 0.02) = 0.029% Peak 1492 (1.51, 6.42, 117.16 ppm): 5 chemical-shift based assignments, quality = 0.601, support = 0.0703, residual support = 0.0277: HG12 ILE 95 - HN GLU- 77 20.000% * 56.3877% (0.53 0.11 0.02) = 56.388% kept HG3 PRO 25 - HN GLU- 77 20.000% * 19.4508% (0.99 0.02 0.02) = 19.451% kept HG3 LYS+ 17 - HN GLU- 77 20.000% * 11.9028% (0.61 0.02 0.02) = 11.903% kept HG2 GLU- 23 - HN GLU- 77 20.000% * 7.3653% (0.38 0.02 0.12) = 7.365% kept HG2 ARG+ 48 - HN GLU- 77 20.000% * 4.8934% (0.25 0.02 0.02) = 4.893% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1493 (0.79, 6.42, 117.16 ppm): 6 chemical-shift based assignments, quality = 0.634, support = 4.12, residual support = 12.4: HB2 LEU 76 - HN GLU- 77 16.667% * 49.1474% (0.65 5.42 23.36) = 49.147% kept QG2 ILE 96 - HN GLU- 77 16.667% * 24.7759% (0.87 2.04 1.18) = 24.776% kept QG2 VAL 71 - HN GLU- 77 16.667% * 18.7256% (0.28 4.81 3.23) = 18.726% kept QG2 VAL 61 - HN GLU- 77 16.667% * 7.1379% (0.69 0.74 0.02) = 7.138% kept HG LEU 22 - HN GLU- 77 16.667% * 0.1700% (0.61 0.02 0.02) = 0.170% HG13 ILE 24 - HN GLU- 77 16.667% * 0.0433% (0.15 0.02 0.02) = 0.043% Peak 1494 (0.40, 6.42, 117.16 ppm): 2 chemical-shift based assignments, quality = 0.591, support = 4.96, residual support = 23.4: QD1 LEU 76 - HN GLU- 77 50.000% * 69.9130% (0.73 4.78 23.36) = 69.913% kept QD2 LEU 76 - HN GLU- 77 50.000% * 30.0870% (0.28 5.38 23.36) = 30.087% kept Peak 1495 (-0.27, 6.42, 117.16 ppm): 1 chemical-shift based assignment, quality = 0.375, support = 5.51, residual support = 23.4: HB3 LEU 76 - HN GLU- 77 100.000% *100.0000% (0.38 5.51 23.36) = 100.000% kept Peak 1496 (3.52, 6.42, 117.16 ppm): 5 chemical-shift based assignments, quality = 0.893, support = 5.17, residual support = 21.0: O HA LEU 76 - HN GLU- 77 20.000% * 89.9520% (0.90 10.0 5.60 23.36) = 89.952% kept HA GLU- 23 - HN GLU- 77 20.000% * 7.9312% (0.98 1.0 1.61 0.12) = 7.931% kept QB SER 49 - HN GLU- 77 20.000% * 1.3435% (0.61 1.0 0.44 0.02) = 1.344% kept HB3 SER 15 - HN GLU- 77 20.000% * 0.7206% (0.87 1.0 0.17 0.02) = 0.721% HD3 PRO 37 - HN GLU- 77 20.000% * 0.0528% (0.53 1.0 0.02 0.02) = 0.053% Peak 1497 (7.27, 8.70, 121.57 ppm): 2 chemical-shift based assignments, quality = 0.897, support = 1.49, residual support = 4.19: HN ILE 14 - HN ASP- 78 50.000% * 86.1326% (0.90 1.69 4.87) = 86.133% kept HN SER 49 - HN ASP- 78 50.000% * 13.8674% (0.90 0.27 0.02) = 13.867% kept Peak 1498 (7.06, 8.70, 121.57 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 1.46, residual support = 2.17: HN LYS+ 17 - HN ASP- 78 100.000% *100.0000% (0.92 1.46 2.17) = 100.000% kept Peak 1499 (3.70, 8.87, 111.67 ppm): 2 chemical-shift based assignments, quality = 0.757, support = 2.69, residual support = 13.7: O HA2 GLY 79 - HN GLY 79 50.000% * 98.1917% (0.76 10.0 2.73 13.95) = 98.192% kept HD3 PRO 33 - HN GLY 79 50.000% * 1.8083% (0.38 1.0 0.75 1.02) = 1.808% kept Peak 1500 (8.87, 7.54, 116.89 ppm): 2 chemical-shift based assignments, quality = 0.457, support = 2.95, residual support = 8.19: T HN GLY 79 - HN LYS+ 80 50.000% * 93.1562% (0.46 10.00 3.05 8.80) = 93.156% kept HN PHE 62 - HN LYS+ 80 50.000% * 6.8438% (0.41 1.00 1.66 0.02) = 6.844% kept Peak 1501 (6.94, 9.19, 121.52 ppm): 1 chemical-shift based assignment, quality = 0.154, support = 0.105, residual support = 0.105: HN PHE 70 - HN TYR 81 100.000% *100.0000% (0.15 0.10 0.10) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1502 (6.93, 8.72, 120.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1503 (5.14, 9.26, 124.15 ppm): 4 chemical-shift based assignments, quality = 0.475, support = 4.01, residual support = 34.6: O HA LEU 82 - HN GLN 83 25.000% * 56.0727% (0.53 10.0 3.33 15.04) = 56.073% kept O HA GLN 83 - HN GLN 83 25.000% * 43.8153% (0.41 10.0 4.90 59.82) = 43.815% kept HA LYS+ 11 - HN GLN 83 25.000% * 0.0956% (0.90 1.0 0.02 0.50) = 0.096% HA VAL 40 - HN GLN 83 25.000% * 0.0164% (0.15 1.0 0.02 0.20) = 0.016% Peak 1504 (6.16, 8.82, 126.53 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1505 (4.92, 9.62, 122.66 ppm): 2 chemical-shift based assignments, quality = 0.842, support = 0.02, residual support = 0.02: HA ASP- 89 - HN ILE 85 50.000% * 79.8991% (0.99 0.02 0.02) = 79.899% kept HA TYR 97 - HN ILE 85 50.000% * 20.1009% (0.25 0.02 0.02) = 20.101% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1506 (10.10, 8.70, 121.57 ppm): 1 chemical-shift based assignment, quality = 0.991, support = 3.99, residual support = 8.16: HN SER 15 - HN ASP- 78 100.000% *100.0000% (0.99 3.99 8.16) = 100.000% kept Peak 1507 (9.38, 9.19, 121.52 ppm): 4 chemical-shift based assignments, quality = 0.451, support = 0.802, residual support = 0.714: HN GLY 66 - HN TYR 81 25.000% * 56.3908% (0.61 0.75 0.46) = 56.391% kept HN VAL 61 - HN TYR 81 25.000% * 34.1597% (0.28 0.99 1.32) = 34.160% kept HN TYR 97 - HN TYR 81 25.000% * 8.8313% (0.15 0.46 0.02) = 8.831% kept HN GLU- 68 - HN TYR 81 25.000% * 0.6182% (0.25 0.02 0.02) = 0.618% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1509 (7.55, 8.87, 111.67 ppm): 2 chemical-shift based assignments, quality = 0.871, support = 3.03, residual support = 8.75: T HN LYS+ 80 - HN GLY 79 50.000% * 99.4492% (0.88 10.00 3.05 8.80) = 99.449% kept HN ASN 29 - HN GLY 79 50.000% * 0.5508% (0.97 1.00 0.10 0.02) = 0.551% Peak 1510 (6.46, 8.70, 121.57 ppm): 1 chemical-shift based assignment, quality = 0.309, support = 1.96, residual support = 1.96: HD22 ASN 29 - HN ASP- 78 100.000% *100.0000% (0.31 1.96 1.96) = 100.000% kept Peak 1511 (4.86, 8.70, 121.57 ppm): 1 chemical-shift based assignment, quality = 0.687, support = 2.55, residual support = 12.6: O HA ASP- 78 - HN ASP- 78 100.000% *100.0000% (0.69 10.0 2.55 12.61) = 100.000% kept Peak 1512 (4.65, 8.70, 121.57 ppm): 3 chemical-shift based assignments, quality = 0.834, support = 4.49, residual support = 19.8: O HA GLU- 77 - HN ASP- 78 33.333% * 99.8669% (0.84 10.0 4.49 19.82) = 99.867% kept HA ASP- 3 - HN ASP- 78 33.333% * 0.0999% (0.84 1.0 0.02 0.02) = 0.100% HA ILE 96 - HN ASP- 78 33.333% * 0.0332% (0.28 1.0 0.02 0.02) = 0.033% Peak 1513 (4.00, 8.70, 121.57 ppm): 4 chemical-shift based assignments, quality = 0.987, support = 1.64, residual support = 7.7: HB2 SER 15 - HN ASP- 78 25.000% * 94.3748% (1.00 1.74 8.16) = 94.375% kept HA LYS+ 72 - HN ASP- 78 25.000% * 4.4593% (0.98 0.08 0.02) = 4.459% kept HA1 GLY 5 - HN ASP- 78 25.000% * 0.8305% (0.76 0.02 0.02) = 0.830% HA1 GLY 58 - HN ASP- 78 25.000% * 0.3354% (0.31 0.02 0.02) = 0.335% Peak 1514 (4.31, 8.70, 121.57 ppm): 4 chemical-shift based assignments, quality = 0.947, support = 0.211, residual support = 0.166: HA PHE 28 - HN ASP- 78 25.000% * 87.7231% (0.99 0.24 0.19) = 87.723% kept HA ALA 2 - HN ASP- 78 25.000% * 5.9763% (0.80 0.02 0.02) = 5.976% kept HA PRO 12 - HN ASP- 78 25.000% * 4.2255% (0.57 0.02 0.02) = 4.225% kept HA ASP- 73 - HN ASP- 78 25.000% * 2.0751% (0.28 0.02 0.02) = 2.075% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1515 (3.50, 8.70, 121.57 ppm): 5 chemical-shift based assignments, quality = 0.416, support = 1.83, residual support = 4.46: HB3 SER 15 - HN ASP- 78 20.000% * 52.3231% (0.41 2.34 8.16) = 52.323% kept HA LEU 76 - HN ASP- 78 20.000% * 36.7837% (0.45 1.51 0.51) = 36.784% kept QB SER 49 - HN ASP- 78 20.000% * 7.1225% (0.20 0.66 0.02) = 7.122% kept HA GLU- 23 - HN ASP- 78 20.000% * 3.6032% (0.61 0.11 0.02) = 3.603% kept HD3 PRO 37 - HN ASP- 78 20.000% * 0.1675% (0.15 0.02 0.02) = 0.168% Peak 1516 (3.41, 8.70, 121.57 ppm): 3 chemical-shift based assignments, quality = 0.706, support = 0.287, residual support = 0.468: QD ARG+ 53 - HN ASP- 78 33.333% * 58.7021% (0.80 0.36 0.22) = 58.702% kept HD2 ARG+ 90 - HN ASP- 78 33.333% * 23.8669% (0.69 0.17 1.42) = 23.867% kept HA ILE 24 - HN ASP- 78 33.333% * 17.4309% (0.41 0.21 0.02) = 17.431% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1517 (2.73, 8.70, 121.57 ppm): 3 chemical-shift based assignments, quality = 0.998, support = 3.39, residual support = 12.6: O QB ASP- 78 - HN ASP- 78 33.333% * 99.8248% (1.00 10.0 3.40 12.61) = 99.825% kept HB2 ASN 100 - HN ASP- 78 33.333% * 0.0989% (0.99 1.0 0.02 0.02) = 0.099% HB3 TYR 97 - HN ASP- 78 33.333% * 0.0763% (0.76 1.0 0.02 0.02) = 0.076% Peak 1518 (2.19, 8.70, 121.57 ppm): 9 chemical-shift based assignments, quality = 0.604, support = 3.59, residual support = 17.1: HB2 GLU- 77 - HN ASP- 78 11.111% * 53.5360% (0.73 4.19 19.82) = 53.536% kept QG GLU- 77 - HN ASP- 78 11.111% * 32.4736% (0.49 3.80 19.82) = 32.474% kept HB2 PHE 84 - HN ASP- 78 11.111% * 7.5500% (0.57 0.76 0.24) = 7.550% kept HB2 LEU 82 - HN ASP- 78 11.111% * 5.2490% (0.28 1.07 0.89) = 5.249% kept HB2 LEU 42 - HN ASP- 78 11.111% * 0.3325% (0.95 0.02 0.02) = 0.333% QB GLU- 68 - HN ASP- 78 11.111% * 0.3153% (0.90 0.02 0.02) = 0.315% QG GLU- 6 - HN ASP- 78 11.111% * 0.2686% (0.76 0.02 0.02) = 0.269% HB2 MET 101 - HN ASP- 78 11.111% * 0.2274% (0.65 0.02 0.02) = 0.227% HB2 GLU- 59 - HN ASP- 78 11.111% * 0.0476% (0.14 0.02 0.02) = 0.048% Peak 1519 (1.94, 8.70, 121.57 ppm): 9 chemical-shift based assignments, quality = 0.701, support = 3.01, residual support = 11.6: HB3 GLU- 77 - HN ASP- 78 11.111% * 57.9512% (0.65 4.23 19.82) = 57.951% kept HB3 GLU- 16 - HN ASP- 78 11.111% * 26.8751% (0.73 1.75 0.40) = 26.875% kept HB3 ARG+ 53 - HN ASP- 78 11.111% * 13.5221% (0.97 0.66 0.22) = 13.522% kept HB3 TYR 31 - HN ASP- 78 11.111% * 0.4091% (0.97 0.02 0.02) = 0.409% QG PRO 37 - HN ASP- 78 11.111% * 0.4091% (0.97 0.02 0.02) = 0.409% QB GLU- 6 - HN ASP- 78 11.111% * 0.3239% (0.76 0.02 0.02) = 0.324% HB2 LYS+ 60 - HN ASP- 78 11.111% * 0.3078% (0.73 0.02 0.02) = 0.308% HB VAL 71 - HN ASP- 78 11.111% * 0.1179% (0.28 0.02 0.02) = 0.118% HB3 GLN 83 - HN ASP- 78 11.111% * 0.0839% (0.20 0.02 0.02) = 0.084% Peak 1520 (0.94, 8.70, 121.57 ppm): 6 chemical-shift based assignments, quality = 0.579, support = 1.45, residual support = 2.57: QG2 ILE 14 - HN ASP- 78 16.667% * 49.1890% (0.45 2.51 4.87) = 49.189% kept QD2 LEU 82 - HN ASP- 78 16.667% * 18.7241% (0.65 0.66 0.89) = 18.724% kept HB3 ARG+ 48 - HN ASP- 78 16.667% * 12.7204% (0.90 0.32 0.02) = 12.720% kept QG2 VAL 52 - HN ASP- 78 16.667% * 9.9580% (0.84 0.27 0.02) = 9.958% kept HG3 LYS+ 56 - HN ASP- 78 16.667% * 5.4407% (0.49 0.26 0.02) = 5.441% kept QD1 LEU 26 - HN ASP- 78 16.667% * 3.9678% (0.34 0.27 0.02) = 3.968% kept Peak 1521 (2.73, 8.87, 111.67 ppm): 3 chemical-shift based assignments, quality = 0.984, support = 2.13, residual support = 5.91: QB ASP- 78 - HN GLY 79 33.333% * 98.4025% (1.00 2.16 6.00) = 98.403% kept HB2 ASN 100 - HN GLY 79 33.333% * 0.9020% (0.99 0.02 0.02) = 0.902% HB3 TYR 97 - HN GLY 79 33.333% * 0.6955% (0.76 0.02 0.02) = 0.695% Peak 1522 (4.59, 8.87, 111.67 ppm): 2 chemical-shift based assignments, quality = 0.764, support = 2.59, residual support = 13.9: O HA1 GLY 79 - HN GLY 79 50.000% * 99.9414% (0.76 10.0 2.60 13.95) = 99.941% kept HA LYS+ 17 - HN GLY 79 50.000% * 0.0586% (0.45 1.0 0.02 0.02) = 0.059% Peak 1523 (4.90, 8.87, 111.67 ppm): 3 chemical-shift based assignments, quality = 0.307, support = 2.04, residual support = 5.98: O HA ASP- 78 - HN GLY 79 33.333% * 99.5681% (0.31 10.0 2.05 6.00) = 99.568% kept HA TYR 97 - HN GLY 79 33.333% * 0.3219% (1.00 1.0 0.02 0.02) = 0.322% HA ASP- 89 - HN GLY 79 33.333% * 0.1100% (0.34 1.0 0.02 0.02) = 0.110% Peak 1524 (1.82, 8.87, 111.67 ppm): 7 chemical-shift based assignments, quality = 0.848, support = 0.232, residual support = 0.0762: HB ILE 24 - HN GLY 79 14.286% * 46.8062% (0.99 0.27 0.14) = 46.806% kept HD3 PRO 25 - HN GLY 79 14.286% * 35.2300% (0.80 0.26 0.02) = 35.230% kept QE MET 10 - HN GLY 79 14.286% * 10.2607% (0.53 0.11 0.02) = 10.261% kept HG2 ARG+ 53 - HN GLY 79 14.286% * 2.6250% (0.76 0.02 0.02) = 2.625% kept HG LEU 42 - HN GLY 79 14.286% * 2.4942% (0.73 0.02 0.02) = 2.494% kept HB3 ARG+ 90 - HN GLY 79 14.286% * 1.4121% (0.41 0.02 0.02) = 1.412% kept HB3 LYS+ 17 - HN GLY 79 14.286% * 1.1717% (0.34 0.02 0.02) = 1.172% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1525 (5.05, 7.54, 116.89 ppm): 5 chemical-shift based assignments, quality = 0.256, support = 2.97, residual support = 11.9: O HA LYS+ 80 - HN LYS+ 80 20.000% * 99.7768% (0.26 10.0 2.98 11.89) = 99.777% kept HA VAL 94 - HN LYS+ 80 20.000% * 0.0780% (0.20 1.0 0.02 0.02) = 0.078% HA1 GLY 66 - HN LYS+ 80 20.000% * 0.0647% (0.17 1.0 0.02 0.02) = 0.065% HA LYS+ 56 - HN LYS+ 80 20.000% * 0.0473% (0.12 1.0 0.02 0.15) = 0.047% HA PHE 9 - HN LYS+ 80 20.000% * 0.0332% (0.09 1.0 0.02 0.02) = 0.033% Peak 1526 (4.85, 7.54, 116.89 ppm): 2 chemical-shift based assignments, quality = 0.12, support = 1.59, residual support = 1.57: HA ASP- 78 - HN LYS+ 80 50.000% * 99.0214% (0.12 1.61 1.59) = 99.021% kept HA TRP 50 - HN LYS+ 80 50.000% * 0.9786% (0.10 0.02 0.02) = 0.979% Not enough quality. Peak unassigned. Peak 1527 (4.49, 7.54, 116.89 ppm): 9 chemical-shift based assignments, quality = 0.35, support = 0.911, residual support = 3.5: HA VAL 61 - HN LYS+ 80 11.111% * 43.5259% (0.22 1.50 7.87) = 43.526% kept HA LYS+ 60 - HN LYS+ 80 11.111% * 39.5122% (0.49 0.61 0.16) = 39.512% kept HA VAL 7 - HN LYS+ 80 11.111% * 5.2090% (0.46 0.09 0.11) = 5.209% kept HA ASN 100 - HN LYS+ 80 11.111% * 5.0585% (0.42 0.09 0.02) = 5.058% kept HA TYR 31 - HN LYS+ 80 11.111% * 2.9651% (0.10 0.23 0.02) = 2.965% kept HA ASN 74 - HN LYS+ 80 11.111% * 1.1609% (0.44 0.02 0.02) = 1.161% kept HA ASN 69 - HN LYS+ 80 11.111% * 1.1228% (0.42 0.02 0.02) = 1.123% kept HA MET 1 - HN LYS+ 80 11.111% * 1.1228% (0.42 0.02 0.02) = 1.123% kept HB2 SER 18 - HN LYS+ 80 11.111% * 0.3228% (0.12 0.02 0.02) = 0.323% Peak 1528 (3.67, 7.54, 116.89 ppm): 1 chemical-shift based assignment, quality = 0.47, support = 1.02, residual support = 1.02: HD3 PRO 33 - HN LYS+ 80 100.000% *100.0000% (0.47 1.02 1.02) = 100.000% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1529 (0.81, 7.54, 116.89 ppm): 6 chemical-shift based assignments, quality = 0.338, support = 2.21, residual support = 5.17: QG2 VAL 61 - HN LYS+ 80 16.667% * 59.7645% (0.35 3.16 7.87) = 59.764% kept QG2 ILE 96 - HN LYS+ 80 16.667% * 17.5238% (0.26 1.28 2.16) = 17.524% kept HG13 ILE 24 - HN LYS+ 80 16.667% * 10.5787% (0.47 0.42 0.02) = 10.579% kept QD1 ILE 14 - HN LYS+ 80 16.667% * 6.9060% (0.20 0.65 0.02) = 6.906% kept HB2 LEU 76 - HN LYS+ 80 16.667% * 4.8100% (0.37 0.24 1.89) = 4.810% kept HG LEU 22 - HN LYS+ 80 16.667% * 0.4170% (0.39 0.02 0.02) = 0.417% Peak 1530 (1.59, 7.54, 116.89 ppm): 7 chemical-shift based assignments, quality = 0.461, support = 2.39, residual support = 9.41: QG LYS+ 80 - HN LYS+ 80 14.286% * 78.4783% (0.49 2.89 11.89) = 78.478% kept QB LEU 26 - HN LYS+ 80 14.286% * 15.6070% (0.42 0.66 0.02) = 15.607% kept HB ILE 96 - HN LYS+ 80 14.286% * 3.5966% (0.15 0.43 2.16) = 3.597% kept QG ARG+ 90 - HN LYS+ 80 14.286% * 1.9393% (0.42 0.08 0.02) = 1.939% kept HB VAL 94 - HN LYS+ 80 14.286% * 0.1508% (0.14 0.02 0.02) = 0.151% HG12 ILE 85 - HN LYS+ 80 14.286% * 0.1207% (0.11 0.02 0.02) = 0.121% HG LEU 43 - HN LYS+ 80 14.286% * 0.1073% (0.10 0.02 0.02) = 0.107% Peak 1531 (1.88, 7.54, 116.89 ppm): 10 chemical-shift based assignments, quality = 0.373, support = 2.5, residual support = 11.0: O QB LYS+ 80 - HN LYS+ 80 10.000% * 91.9292% (0.39 10.0 2.62 11.89) = 91.929% kept QB MET 54 - HN LYS+ 80 10.000% * 2.7518% (0.22 1.0 1.07 0.84) = 2.752% kept HG3 PRO 33 - HN LYS+ 80 10.000% * 1.8999% (0.07 1.0 2.45 1.02) = 1.900% kept HB3 PRO 33 - HN LYS+ 80 10.000% * 1.4049% (0.12 1.0 0.98 1.02) = 1.405% kept HB3 GLU- 59 - HN LYS+ 80 10.000% * 1.3437% (0.39 1.0 0.29 0.02) = 1.344% kept HB VAL 7 - HN LYS+ 80 10.000% * 0.4079% (0.41 1.0 0.09 0.11) = 0.408% QB PHE 70 - HN LYS+ 80 10.000% * 0.1108% (0.47 1.0 0.02 0.02) = 0.111% QB LYS+ 72 - HN LYS+ 80 10.000% * 0.0604% (0.26 1.0 0.02 0.02) = 0.060% HB2 LYS+ 17 - HN LYS+ 80 10.000% * 0.0559% (0.24 1.0 0.02 0.02) = 0.056% HB3 LYS+ 11 - HN LYS+ 80 10.000% * 0.0354% (0.15 1.0 0.02 0.02) = 0.035% Peak 1532 (2.22, 7.54, 116.89 ppm): 7 chemical-shift based assignments, quality = 0.398, support = 1.14, residual support = 2.84: QG GLU- 77 - HN LYS+ 80 14.286% * 65.7890% (0.45 1.40 3.03) = 65.789% kept HB2 GLU- 77 - HN LYS+ 80 14.286% * 27.7183% (0.35 0.75 3.03) = 27.718% kept HB2 PRO 25 - HN LYS+ 80 14.286% * 3.9864% (0.12 0.31 0.02) = 3.986% kept HB2 MET 101 - HN LYS+ 80 14.286% * 0.8151% (0.39 0.02 0.02) = 0.815% QG GLU- 6 - HN LYS+ 80 14.286% * 0.6992% (0.33 0.02 0.02) = 0.699% QB GLU- 68 - HN LYS+ 80 14.286% * 0.5355% (0.26 0.02 0.02) = 0.536% HB2 LEU 42 - HN LYS+ 80 14.286% * 0.4564% (0.22 0.02 0.02) = 0.456% Peak 1533 (5.04, 9.19, 121.52 ppm): 4 chemical-shift based assignments, quality = 0.189, support = 1.8, residual support = 3.1: O HA LYS+ 80 - HN TYR 81 25.000% * 86.7333% (0.15 10.0 1.98 3.57) = 86.733% kept HA LEU 63 - HN TYR 81 25.000% * 6.8108% (0.31 1.0 0.78 0.02) = 6.811% kept HA PHE 9 - HN TYR 81 25.000% * 5.9644% (0.57 1.0 0.37 0.02) = 5.964% kept HA VAL 94 - HN TYR 81 25.000% * 0.4915% (0.87 1.0 0.02 0.58) = 0.492% Not enough quality. Peak unassigned. Peak 1534 (4.78, 9.19, 121.52 ppm): 3 chemical-shift based assignments, quality = 0.839, support = 1.73, residual support = 2.58: HA THR 64 - HN TYR 81 33.333% * 83.5409% (0.95 1.92 3.02) = 83.541% kept HA LYS+ 55 - HN TYR 81 33.333% * 12.2410% (0.31 0.86 0.49) = 12.241% kept HA ILE 85 - HN TYR 81 33.333% * 4.2181% (0.25 0.37 0.02) = 4.218% kept Peak 1535 (4.63, 9.19, 121.52 ppm): 2 chemical-shift based assignments, quality = 0.375, support = 0.989, residual support = 0.86: HA GLU- 77 - HN TYR 81 50.000% * 93.2522% (0.38 1.06 0.86) = 93.252% kept HA ASP- 3 - HN TYR 81 50.000% * 6.7478% (0.38 0.08 0.83) = 6.748% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1536 (2.98, 9.19, 121.52 ppm): 9 chemical-shift based assignments, quality = 0.79, support = 0.684, residual support = 0.618: HD3 ARG+ 88 - HN TYR 81 11.111% * 26.7462% (0.97 0.86 1.25) = 26.746% kept HD3 ARG+ 48 - HN TYR 81 11.111% * 24.9923% (0.92 0.84 0.39) = 24.992% kept HE3 LYS+ 60 - HN TYR 81 11.111% * 14.4186% (0.73 0.61 0.93) = 14.419% kept HB2 ASP- 89 - HN TYR 81 11.111% * 12.9577% (0.65 0.62 0.02) = 12.958% kept QE LYS+ 55 - HN TYR 81 11.111% * 9.9365% (0.76 0.40 0.49) = 9.936% kept HB3 PHE 9 - HN TYR 81 11.111% * 4.9803% (0.38 0.41 0.02) = 4.980% kept QE LYS+ 72 - HN TYR 81 11.111% * 3.4372% (0.31 0.34 0.02) = 3.437% kept QE LYS+ 11 - HN TYR 81 11.111% * 2.2166% (0.34 0.20 0.02) = 2.217% kept QE LYS+ 17 - HN TYR 81 11.111% * 0.3147% (0.49 0.02 0.02) = 0.315% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1537 (2.76, 9.19, 121.52 ppm): 4 chemical-shift based assignments, quality = 0.535, support = 0.721, residual support = 0.281: HB3 PHE 28 - HN TYR 81 25.000% * 47.7656% (0.80 0.46 0.20) = 47.766% kept QB ASP- 78 - HN TYR 81 25.000% * 41.5494% (0.28 1.15 0.44) = 41.549% kept HB2 ASN 100 - HN TYR 81 25.000% * 8.5080% (0.22 0.29 0.02) = 8.508% kept HB3 TYR 93 - HN TYR 81 25.000% * 2.1769% (0.84 0.02 0.02) = 2.177% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1538 (2.66, 9.19, 121.52 ppm): 4 chemical-shift based assignments, quality = 0.866, support = 0.123, residual support = 0.0479: HB3 ASP- 73 - HN TYR 81 25.000% * 39.3036% (1.00 0.15 0.02) = 39.304% kept HG2 MET 10 - HN TYR 81 25.000% * 24.8903% (0.73 0.13 0.13) = 24.890% kept HD2 PRO 25 - HN TYR 81 25.000% * 17.9720% (0.87 0.08 0.02) = 17.972% kept QG MET 101 - HN TYR 81 25.000% * 17.8340% (0.76 0.09 0.02) = 17.834% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1539 (1.88, 9.19, 121.52 ppm): 10 chemical-shift based assignments, quality = 0.744, support = 1.34, residual support = 2.13: QB LYS+ 80 - HN TYR 81 10.000% * 58.5410% (0.80 1.94 3.57) = 58.541% kept HB3 GLU- 59 - HN TYR 81 10.000% * 22.1969% (0.80 0.73 0.13) = 22.197% kept QB LYS+ 72 - HN TYR 81 10.000% * 6.8188% (0.53 0.34 0.02) = 6.819% kept QB PHE 70 - HN TYR 81 10.000% * 3.8189% (0.97 0.10 0.10) = 3.819% kept QB MET 54 - HN TYR 81 10.000% * 3.4211% (0.45 0.20 0.02) = 3.421% kept HB3 LYS+ 11 - HN TYR 81 10.000% * 2.3408% (0.31 0.20 0.02) = 2.341% kept HG3 PRO 33 - HN TYR 81 10.000% * 1.6768% (0.14 0.33 0.26) = 1.677% kept HB VAL 7 - HN TYR 81 10.000% * 0.6302% (0.84 0.02 2.36) = 0.630% HB2 LYS+ 17 - HN TYR 81 10.000% * 0.3673% (0.49 0.02 0.02) = 0.367% HB3 PRO 33 - HN TYR 81 10.000% * 0.1881% (0.25 0.02 0.26) = 0.188% Peak 1540 (1.79, 9.19, 121.52 ppm): 10 chemical-shift based assignments, quality = 0.774, support = 1.08, residual support = 3.35: HG LEU 82 - HN TYR 81 10.000% * 46.8357% (1.00 1.50 6.52) = 46.836% kept HB VAL 61 - HN TYR 81 10.000% * 14.3342% (0.31 1.48 1.32) = 14.334% kept HD2 LYS+ 55 - HN TYR 81 10.000% * 13.8299% (1.00 0.44 0.49) = 13.830% kept HG3 ARG+ 53 - HN TYR 81 10.000% * 7.0212% (0.95 0.24 0.02) = 7.021% kept HB ILE 95 - HN TYR 81 10.000% * 5.9942% (0.49 0.39 0.02) = 5.994% kept HB2 LYS+ 55 - HN TYR 81 10.000% * 5.6764% (0.25 0.73 0.49) = 5.676% kept HG2 ARG+ 53 - HN TYR 81 10.000% * 3.9753% (0.25 0.51 0.02) = 3.975% kept HG LEU 42 - HN TYR 81 10.000% * 1.3504% (0.28 0.16 0.34) = 1.350% kept HB3 LYS+ 20 - HN TYR 81 10.000% * 0.5778% (0.92 0.02 0.46) = 0.578% HB3 LYS+ 17 - HN TYR 81 10.000% * 0.4049% (0.65 0.02 0.02) = 0.405% Peak 1541 (1.58, 9.19, 121.52 ppm): 5 chemical-shift based assignments, quality = 0.625, support = 1.71, residual support = 2.59: QG LYS+ 80 - HN TYR 81 20.000% * 72.4995% (0.73 2.10 3.57) = 72.500% kept QB LEU 26 - HN TYR 81 20.000% * 14.4823% (0.41 0.74 0.02) = 14.482% kept HG2 LYS+ 72 - HN TYR 81 20.000% * 11.4870% (0.34 0.71 0.02) = 11.487% kept QG ARG+ 90 - HN TYR 81 20.000% * 0.9167% (0.97 0.02 0.02) = 0.917% HG12 ILE 85 - HN TYR 81 20.000% * 0.6145% (0.65 0.02 0.02) = 0.614% Peak 1542 (0.76, 9.19, 121.52 ppm): 3 chemical-shift based assignments, quality = 0.524, support = 1.03, residual support = 1.28: QD1 LEU 43 - HN TYR 81 33.333% * 42.9711% (0.65 0.57 1.75) = 42.971% kept QG1 VAL 61 - HN TYR 81 33.333% * 39.2993% (0.18 1.92 1.32) = 39.299% kept QG2 VAL 71 - HN TYR 81 33.333% * 17.7296% (1.00 0.15 0.02) = 17.730% kept Peak 1543 (6.12, 8.72, 120.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1544 (5.07, 8.72, 120.76 ppm): 3 chemical-shift based assignments, quality = 0.78, support = 0.531, residual support = 0.388: HA LYS+ 56 - HN LEU 82 33.333% * 44.5867% (0.69 0.71 0.72) = 44.587% kept HA1 GLY 66 - HN LEU 82 33.333% * 34.8918% (0.80 0.48 0.13) = 34.892% kept HA LYS+ 80 - HN LEU 82 33.333% * 20.5216% (0.95 0.24 0.10) = 20.522% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1545 (4.84, 8.72, 120.76 ppm): 2 chemical-shift based assignments, quality = 0.154, support = 2.15, residual support = 6.5: O HA TYR 81 - HN LEU 82 50.000% * 99.6084% (0.15 10.0 2.16 6.52) = 99.608% kept HA TRP 50 - HN LEU 82 50.000% * 0.3916% (0.61 1.0 0.02 0.02) = 0.392% Peak 1546 (4.27, 8.72, 120.76 ppm): 4 chemical-shift based assignments, quality = 0.433, support = 0.795, residual support = 7.74: HA PRO 12 - HN LEU 82 25.000% * 33.9063% (0.41 0.80 1.33) = 33.906% kept HA PHE 13 - HN LEU 82 25.000% * 32.9854% (0.25 1.28 21.41) = 32.985% kept HA ASN 75 - HN LEU 82 25.000% * 25.5945% (0.73 0.34 0.88) = 25.594% kept HA GLU- 59 - HN LEU 82 25.000% * 7.5139% (0.34 0.21 0.02) = 7.514% kept Peak 1547 (9.26, 8.72, 120.76 ppm): 5 chemical-shift based assignments, quality = 0.897, support = 3.05, residual support = 10.7: HN GLN 83 - HN LEU 82 20.000% * 53.0593% (0.98 3.68 15.04) = 53.059% kept HN LYS+ 55 - HN LEU 82 20.000% * 33.3107% (1.00 2.27 4.95) = 33.311% kept HN LEU 43 - HN LEU 82 20.000% * 13.1044% (0.34 2.61 8.35) = 13.104% kept HN ARG+ 90 - HN LEU 82 20.000% * 0.2715% (0.92 0.02 0.02) = 0.271% HN GLY 58 - HN LEU 82 20.000% * 0.2542% (0.20 0.09 0.02) = 0.254% Peak 1548 (9.49, 8.72, 120.76 ppm): 3 chemical-shift based assignments, quality = 0.688, support = 2.91, residual support = 11.0: T HN LYS+ 11 - HN LEU 82 33.333% * 92.6044% (0.69 10.00 3.05 11.78) = 92.604% kept HN TRP 67 - HN LEU 82 33.333% * 6.8414% (0.76 1.00 1.33 0.85) = 6.841% kept T HN PHE 92 - HN LEU 82 33.333% * 0.5542% (0.41 10.00 0.02 0.02) = 0.554% Peak 1549 (8.76, 9.19, 121.52 ppm): 5 chemical-shift based assignments, quality = 0.758, support = 2.05, residual support = 1.85: HN THR 64 - HN TYR 81 20.000% * 58.8065% (0.98 2.59 3.02) = 58.807% kept HN GLY 27 - HN TYR 81 20.000% * 18.0225% (0.49 1.60 0.32) = 18.022% kept HN MET 10 - HN TYR 81 20.000% * 13.4350% (0.49 1.19 0.13) = 13.435% kept HN PHE 13 - HN TYR 81 20.000% * 6.7432% (0.34 0.85 0.02) = 6.743% kept HN ARG+ 53 - HN TYR 81 20.000% * 2.9928% (0.18 0.74 0.02) = 2.993% kept Peak 1550 (3.05, 8.72, 120.76 ppm): 4 chemical-shift based assignments, quality = 0.741, support = 0.0721, residual support = 0.179: HE2 LYS+ 60 - HN LEU 82 25.000% * 77.4062% (0.84 0.09 0.02) = 77.406% kept HA ARG+ 88 - HN LEU 82 25.000% * 12.0125% (0.57 0.02 0.02) = 12.012% kept HB3 ASN 69 - HN LEU 82 25.000% * 5.2907% (0.25 0.02 1.46) = 5.291% kept QB PHE 32 - HN LEU 82 25.000% * 5.2907% (0.25 0.02 1.58) = 5.291% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1551 (2.73, 8.72, 120.76 ppm): 3 chemical-shift based assignments, quality = 0.995, support = 0.743, residual support = 0.792: QB ASP- 78 - HN LEU 82 33.333% * 88.7686% (1.00 0.83 0.89) = 88.769% kept HB2 ASN 100 - HN LEU 82 33.333% * 9.5913% (0.99 0.09 0.02) = 9.591% kept HB3 TYR 97 - HN LEU 82 33.333% * 1.6401% (0.76 0.02 0.02) = 1.640% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1552 (2.13, 8.72, 120.76 ppm): 6 chemical-shift based assignments, quality = 0.893, support = 0.591, residual support = 1.57: QB MET 10 - HN LEU 82 16.667% * 54.3293% (0.98 0.83 2.73) = 54.329% kept HB2 ASN 74 - HN LEU 82 16.667% * 22.2562% (0.92 0.36 0.02) = 22.256% kept QG GLN 8 - HN LEU 82 16.667% * 12.4549% (0.49 0.38 0.65) = 12.455% kept HB3 MET 101 - HN LEU 82 16.667% * 7.3896% (0.98 0.11 0.02) = 7.390% kept HB2 MET 1 - HN LEU 82 16.667% * 2.2847% (0.41 0.08 0.02) = 2.285% kept HB ILE 85 - HN LEU 82 16.667% * 1.2853% (0.97 0.02 0.02) = 1.285% kept Peak 1553 (1.26, 8.72, 120.76 ppm): 3 chemical-shift based assignments, quality = 0.643, support = 3.94, residual support = 80.7: O HB3 LEU 82 - HN LEU 82 33.333% * 89.1336% (0.69 10.0 3.93 82.56) = 89.134% kept QD1 LEU 82 - HN LEU 82 33.333% * 8.6325% (0.28 1.0 4.79 82.56) = 8.633% kept HB3 LYS+ 56 - HN LEU 82 33.333% * 2.2339% (0.31 1.0 1.12 0.72) = 2.234% kept Peak 1554 (0.93, 8.72, 120.76 ppm): 5 chemical-shift based assignments, quality = 0.408, support = 2.32, residual support = 33.9: QD2 LEU 82 - HN LEU 82 20.000% * 39.6423% (0.22 4.08 82.56) = 39.642% kept QD1 LEU 26 - HN LEU 82 20.000% * 26.5950% (0.80 0.76 0.97) = 26.595% kept QG2 VAL 52 - HN LEU 82 20.000% * 25.5489% (0.38 1.56 3.48) = 25.549% kept HG3 LYS+ 56 - HN LEU 82 20.000% * 7.8220% (0.14 1.32 0.72) = 7.822% kept HB3 ARG+ 48 - HN LEU 82 20.000% * 0.3917% (0.45 0.02 0.02) = 0.392% Peak 1555 (6.79, 9.26, 124.15 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1556 (9.03, 9.26, 124.15 ppm): 2 chemical-shift based assignments, quality = 0.249, support = 0.622, residual support = 8.66: HN ILE 95 - HN GLN 83 50.000% * 72.1065% (0.25 0.75 11.96) = 72.106% kept HN THR 51 - HN GLN 83 50.000% * 27.8935% (0.25 0.29 0.12) = 27.894% kept Peak 1557 (6.93, 9.26, 124.15 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1558 (2.45, 9.26, 124.15 ppm): 3 chemical-shift based assignments, quality = 0.307, support = 3.17, residual support = 59.5: O HB2 GLN 83 - HN GLN 83 33.333% * 99.4769% (0.31 10.0 3.19 59.82) = 99.477% kept HA PHE 70 - HN GLN 83 33.333% * 0.2890% (0.90 1.0 0.02 0.02) = 0.289% HB2 PRO 37 - HN GLN 83 33.333% * 0.2340% (0.73 1.0 0.02 0.02) = 0.234% Peak 1559 (2.16, 9.26, 124.15 ppm): 8 chemical-shift based assignments, quality = 0.641, support = 3.22, residual support = 10.3: HB2 LEU 82 - HN GLN 83 12.500% * 61.3597% (0.73 4.46 15.04) = 61.360% kept HB2 PHE 84 - HN GLN 83 12.500% * 15.8200% (0.41 2.03 5.51) = 15.820% kept HB ILE 85 - HN GLN 83 12.500% * 9.0352% (0.41 1.16 2.05) = 9.035% kept QG GLN 8 - HN GLN 83 12.500% * 7.6241% (0.92 0.44 0.02) = 7.624% kept HB2 ASN 74 - HN GLN 83 12.500% * 3.9087% (0.49 0.42 0.02) = 3.909% kept QB MET 10 - HN GLN 83 12.500% * 1.7605% (0.20 0.47 0.13) = 1.760% kept HB2 GLU- 59 - HN GLN 83 12.500% * 0.3497% (0.92 0.02 0.02) = 0.350% HB3 MET 101 - HN GLN 83 12.500% * 0.1422% (0.38 0.02 0.02) = 0.142% Peak 1560 (1.97, 9.26, 124.15 ppm): 6 chemical-shift based assignments, quality = 0.978, support = 2.89, residual support = 59.7: O HB3 GLN 83 - HN GLN 83 16.667% * 99.7711% (0.98 10.0 2.90 59.82) = 99.771% kept HB3 GLU- 77 - HN GLN 83 16.667% * 0.0815% (0.80 1.0 0.02 0.02) = 0.082% HB VAL 65 - HN GLN 83 16.667% * 0.0699% (0.69 1.0 0.02 0.02) = 0.070% HB3 ARG+ 53 - HN GLN 83 16.667% * 0.0418% (0.41 1.0 0.02 0.17) = 0.042% HB3 TYR 31 - HN GLN 83 16.667% * 0.0178% (0.18 1.0 0.02 0.02) = 0.018% QG PRO 37 - HN GLN 83 16.667% * 0.0178% (0.18 1.0 0.02 0.02) = 0.018% Peak 1561 (0.88, 9.26, 124.15 ppm): 4 chemical-shift based assignments, quality = 0.742, support = 0.608, residual support = 5.12: QD1 ILE 85 - HN GLN 83 25.000% * 49.6785% (0.92 0.69 2.05) = 49.679% kept QD1 ILE 95 - HN GLN 83 25.000% * 32.3240% (0.61 0.68 11.96) = 32.324% kept QD2 LEU 26 - HN GLN 83 25.000% * 11.7550% (0.57 0.27 1.31) = 11.755% kept QD2 LEU 43 - HN GLN 83 25.000% * 6.2424% (0.34 0.23 1.37) = 6.242% kept Peak 1562 (9.54, 8.82, 126.53 ppm): 1 chemical-shift based assignment, quality = 0.175, support = 0.02, residual support = 0.02: HN PHE 92 - HN PHE 84 100.000% *100.0000% (0.18 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1563 (5.84, 8.82, 126.53 ppm): 2 chemical-shift based assignments, quality = 0.989, support = 1.69, residual support = 1.91: HA MET 10 - HN PHE 84 50.000% * 99.7643% (0.99 1.69 1.91) = 99.764% kept HA PHE 92 - HN PHE 84 50.000% * 0.2357% (0.20 0.02 0.02) = 0.236% Peak 1564 (5.09, 8.82, 126.53 ppm): 5 chemical-shift based assignments, quality = 0.213, support = 2.47, residual support = 5.0: O HA GLN 83 - HN PHE 84 20.000% * 90.7035% (0.18 10.0 2.68 5.51) = 90.704% kept HA1 GLY 66 - HN PHE 84 20.000% * 8.4362% (0.65 1.0 0.50 0.02) = 8.436% kept HA LYS+ 56 - HN PHE 84 20.000% * 0.3958% (0.76 1.0 0.02 0.02) = 0.396% HA VAL 40 - HN PHE 84 20.000% * 0.2322% (0.45 1.0 0.02 0.02) = 0.232% HA LYS+ 80 - HN PHE 84 20.000% * 0.2322% (0.45 1.0 0.02 0.02) = 0.232% Peak 1565 (4.95, 8.82, 126.53 ppm): 3 chemical-shift based assignments, quality = 0.835, support = 2.54, residual support = 16.5: O HA PHE 84 - HN PHE 84 33.333% * 99.9151% (0.84 10.0 2.54 16.48) = 99.915% kept HA SER 21 - HN PHE 84 33.333% * 0.0582% (0.49 1.0 0.02 0.43) = 0.058% HA ASP- 89 - HN PHE 84 33.333% * 0.0266% (0.22 1.0 0.02 0.02) = 0.027% Peak 1566 (2.12, 8.82, 126.53 ppm): 8 chemical-shift based assignments, quality = 0.619, support = 2.0, residual support = 1.47: HB ILE 85 - HN PHE 84 12.500% * 58.8704% (0.57 2.91 1.62) = 58.870% kept QB MET 10 - HN PHE 84 12.500% * 26.8719% (0.84 0.90 1.91) = 26.872% kept HG2 MET 54 - HN PHE 84 12.500% * 3.9864% (0.18 0.64 0.02) = 3.986% kept HB2 ASN 74 - HN PHE 84 12.500% * 3.5303% (0.49 0.20 0.02) = 3.530% kept HB3 PRO 37 - HN PHE 84 12.500% * 3.4804% (0.41 0.24 0.02) = 3.480% kept HB2 MET 1 - HN PHE 84 12.500% * 2.5841% (0.87 0.08 0.02) = 2.584% kept HB3 MET 101 - HN PHE 84 12.500% * 0.4330% (0.61 0.02 0.02) = 0.433% HB2 GLU- 16 - HN PHE 84 12.500% * 0.2435% (0.34 0.02 0.02) = 0.244% Peak 1567 (1.45, 8.82, 126.53 ppm): 6 chemical-shift based assignments, quality = 0.277, support = 2.35, residual support = 15.0: O HB3 PHE 84 - HN PHE 84 16.667% * 90.9332% (0.25 10.0 2.54 16.48) = 90.933% kept HG13 ILE 38 - HN PHE 84 16.667% * 3.8023% (0.28 1.0 0.75 0.02) = 3.802% kept HB2 LEU 63 - HN PHE 84 16.667% * 3.5181% (0.98 1.0 0.20 0.02) = 3.518% kept HB3 GLU- 23 - HN PHE 84 16.667% * 1.1367% (0.45 1.0 0.14 0.02) = 1.137% kept HB3 ASN 74 - HN PHE 84 16.667% * 0.3450% (0.95 1.0 0.02 0.02) = 0.345% HG3 LYS+ 72 - HN PHE 84 16.667% * 0.2648% (0.73 1.0 0.02 0.02) = 0.265% Peak 1568 (0.25, 8.82, 126.53 ppm): 2 chemical-shift based assignments, quality = 0.923, support = 0.557, residual support = 0.975: QG2 VAL 94 - HN PHE 84 50.000% * 70.6862% (0.92 0.67 1.37) = 70.686% kept QD1 LEU 22 - HN PHE 84 50.000% * 29.3138% (0.92 0.28 0.02) = 29.314% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1569 (8.59, 9.62, 122.66 ppm): 1 chemical-shift based assignment, quality = 0.375, support = 4.34, residual support = 9.87: T HN VAL 94 - HN ILE 85 100.000% *100.0000% (0.38 10.00 4.34 9.87) = 100.000% kept Peak 1570 (2.13, 9.62, 122.66 ppm): 6 chemical-shift based assignments, quality = 0.948, support = 4.65, residual support = 116.2: O HB ILE 85 - HN ILE 85 16.667% * 90.8945% (0.97 10.0 5.02 127.62) = 90.895% kept HB2 ASN 74 - HN ILE 85 16.667% * 4.3690% (0.92 1.0 1.01 0.63) = 4.369% kept QG GLN 8 - HN ILE 85 16.667% * 3.0315% (0.49 1.0 1.32 5.78) = 3.031% kept QB MET 10 - HN ILE 85 16.667% * 1.5740% (0.98 1.0 0.34 0.02) = 1.574% kept HB3 MET 101 - HN ILE 85 16.667% * 0.0923% (0.98 1.0 0.02 0.02) = 0.092% HB2 MET 1 - HN ILE 85 16.667% * 0.0387% (0.41 1.0 0.02 0.02) = 0.039% Peak 1571 (1.54, 9.62, 122.66 ppm): 3 chemical-shift based assignments, quality = 0.351, support = 4.44, residual support = 120.6: HG12 ILE 85 - HN ILE 85 33.333% * 94.5330% (0.34 4.69 127.62) = 94.533% kept HG2 GLU- 23 - HN ILE 85 33.333% * 4.7032% (0.61 0.13 0.02) = 4.703% kept HG2 LYS+ 72 - HN ILE 85 33.333% * 0.7638% (0.65 0.02 0.02) = 0.764% Peak 1572 (0.23, 9.62, 122.66 ppm): 2 chemical-shift based assignments, quality = 0.487, support = 2.14, residual support = 8.11: QG2 VAL 94 - HN ILE 85 50.000% * 80.5793% (0.49 2.51 9.87) = 80.579% kept QD1 LEU 22 - HN ILE 85 50.000% * 19.4207% (0.49 0.60 0.81) = 19.421% kept Peak 1574 (0.91, 9.62, 122.66 ppm): 3 chemical-shift based assignments, quality = 0.48, support = 4.39, residual support = 125.9: QD1 ILE 85 - HN ILE 85 33.333% * 98.6201% (0.49 4.45 127.62) = 98.620% kept QD2 LEU 26 - HN ILE 85 33.333% * 0.7904% (0.87 0.02 0.27) = 0.790% QD1 LEU 26 - HN ILE 85 33.333% * 0.5895% (0.65 0.02 0.27) = 0.589% Peak 1575 (0.99, 9.62, 122.66 ppm): 6 chemical-shift based assignments, quality = 0.799, support = 3.28, residual support = 83.9: QG2 ILE 85 - HN ILE 85 16.667% * 65.6921% (0.73 4.67 127.62) = 65.692% kept QG1 VAL 40 - HN ILE 85 16.667% * 12.6577% (0.99 0.66 0.15) = 12.658% kept QG2 THR 64 - HN ILE 85 16.667% * 12.5955% (0.95 0.69 0.51) = 12.595% kept QD1 ILE 38 - HN ILE 85 16.667% * 8.6106% (0.90 0.50 0.02) = 8.611% kept HG LEU 76 - HN ILE 85 16.667% * 0.3843% (0.99 0.02 1.06) = 0.384% QG2 ILE 14 - HN ILE 85 16.667% * 0.0598% (0.15 0.02 0.16) = 0.060% Peak 1576 (4.79, 9.61, 129.68 ppm): 2 chemical-shift based assignments, quality = 0.973, support = 0.547, residual support = 0.721: HA THR 64 - HN TYR 86 50.000% * 98.8738% (0.98 0.55 0.73) = 98.874% kept HA TYR 81 - HN TYR 86 50.000% * 1.1262% (0.31 0.02 0.02) = 1.126% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1577 (6.39, 8.04, 126.45 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1578 (9.28, 8.08, 119.55 ppm): 4 chemical-shift based assignments, quality = 0.377, support = 3.23, residual support = 6.74: T HN LYS+ 55 - HN ASP- 89 25.000% * 59.6926% (0.38 10.00 3.06 3.73) = 59.693% kept T HN ARG+ 90 - HN ASP- 89 25.000% * 27.8543% (0.18 10.00 4.55 15.74) = 27.854% kept HN LEU 43 - HN ASP- 89 25.000% * 8.7668% (1.00 1.00 1.10 1.18) = 8.767% kept HN GLN 83 - HN ASP- 89 25.000% * 3.6863% (0.45 1.00 1.03 0.70) = 3.686% kept Peak 1579 (5.25, 9.26, 122.00 ppm): 4 chemical-shift based assignments, quality = 0.945, support = 6.06, residual support = 89.4: O HA ARG+ 90 - HN ARG+ 90 25.000% * 99.8982% (0.95 10.0 6.07 89.45) = 99.898% kept HA THR 39 - HN ARG+ 90 25.000% * 0.0598% (0.57 1.0 0.02 0.85) = 0.060% HA PHE 32 - HN ARG+ 90 25.000% * 0.0235% (0.22 1.0 0.02 0.02) = 0.024% HA PHE 62 - HN ARG+ 90 25.000% * 0.0185% (0.18 1.0 0.02 0.68) = 0.018% Peak 1580 (3.91, 8.46, 118.64 ppm): 6 chemical-shift based assignments, quality = 0.446, support = 3.48, residual support = 22.6: O HB THR 91 - HN THR 91 16.667% * 87.8754% (0.41 10.0 3.76 25.71) = 87.875% kept HB2 SER 21 - HN THR 91 16.667% * 11.6908% (0.73 1.0 1.51 0.12) = 11.691% kept QD PRO 12 - HN THR 91 16.667% * 0.1296% (0.61 1.0 0.02 0.02) = 0.130% HA VAL 65 - HN THR 91 16.667% * 0.1125% (0.53 1.0 0.02 0.68) = 0.112% HA2 GLY 5 - HN THR 91 16.667% * 0.0958% (0.45 1.0 0.02 0.02) = 0.096% HA1 GLY 27 - HN THR 91 16.667% * 0.0958% (0.45 1.0 0.02 0.02) = 0.096% Peak 1581 (5.83, 9.57, 122.83 ppm): 1 chemical-shift based assignment, quality = 0.897, support = 0.939, residual support = 3.06: HA MET 10 - HN TYR 93 100.000% *100.0000% (0.90 0.94 3.06) = 100.000% kept Peak 1582 (5.27, 8.57, 122.13 ppm): 5 chemical-shift based assignments, quality = 0.536, support = 4.65, residual support = 26.6: O HA TYR 93 - HN VAL 94 20.000% * 96.5555% (0.53 10.0 4.80 27.53) = 96.556% kept HA THR 39 - HN VAL 94 20.000% * 3.0672% (0.92 1.0 0.36 0.02) = 3.067% kept HA PHE 62 - HN VAL 94 20.000% * 0.1694% (0.92 1.0 0.02 0.02) = 0.169% HA VAL 52 - HN VAL 94 20.000% * 0.1113% (0.61 1.0 0.02 0.39) = 0.111% HA ARG+ 90 - HN VAL 94 20.000% * 0.0966% (0.53 1.0 0.02 0.02) = 0.097% Peak 1583 (5.03, 9.01, 128.35 ppm): 3 chemical-shift based assignments, quality = 0.99, support = 4.82, residual support = 36.5: O HA VAL 94 - HN ILE 95 33.333% * 99.8378% (0.99 10.0 4.83 36.56) = 99.838% kept HA PHE 9 - HN ILE 95 33.333% * 0.0930% (0.92 1.0 0.02 0.02) = 0.093% HA LEU 63 - HN ILE 95 33.333% * 0.0692% (0.69 1.0 0.02 0.66) = 0.069% Peak 1584 (8.32, 9.61, 129.68 ppm): 5 chemical-shift based assignments, quality = 0.685, support = 2.96, residual support = 11.9: T HN VAL 7 - HN TYR 86 20.000% * 99.7898% (0.69 10.00 2.97 11.88) = 99.790% kept HN ALA 2 - HN TYR 86 20.000% * 0.0822% (0.57 1.00 0.02 0.02) = 0.082% HN GLY 5 - HN TYR 86 20.000% * 0.0651% (0.45 1.00 0.02 0.02) = 0.065% HN ILE 24 - HN TYR 86 20.000% * 0.0404% (0.28 1.00 0.02 0.02) = 0.040% HN LYS+ 20 - HN TYR 86 20.000% * 0.0224% (0.15 1.00 0.02 0.02) = 0.022% Peak 1585 (7.24, 9.61, 129.68 ppm): 2 chemical-shift based assignments, quality = 0.341, support = 0.388, residual support = 0.269: HN ILE 14 - HN TYR 86 50.000% * 59.0792% (0.34 0.44 0.30) = 59.079% kept HN SER 49 - HN TYR 86 50.000% * 40.9208% (0.34 0.31 0.23) = 40.921% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1586 (7.01, 9.61, 129.68 ppm): 1 chemical-shift based assignment, quality = 0.223, support = 0.58, residual support = 0.58: HE ARG+ 90 - HN TYR 86 100.000% *100.0000% (0.22 0.58 0.58) = 100.000% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1587 (6.21, 9.61, 129.68 ppm): 1 chemical-shift based assignment, quality = 0.764, support = 3.38, residual support = 6.09: HA GLN 8 - HN TYR 86 100.000% *100.0000% (0.76 3.38 6.09) = 100.000% kept Peak 1588 (5.46, 9.61, 129.68 ppm): 2 chemical-shift based assignments, quality = 0.47, support = 0.208, residual support = 0.193: HA MET 54 - HN TYR 86 50.000% * 88.9131% (0.45 0.23 0.21) = 88.913% kept HA THR 51 - HN TYR 86 50.000% * 11.0869% (0.65 0.02 0.02) = 11.087% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1589 (3.27, 9.61, 129.68 ppm): 1 chemical-shift based assignment, quality = 0.198, support = 2.56, residual support = 8.53: O HB2 TYR 86 - HN TYR 86 100.000% *100.0000% (0.20 10.0 2.56 8.53) = 100.000% kept Peak 1590 (3.10, 9.61, 129.68 ppm): 4 chemical-shift based assignments, quality = 0.823, support = 1.19, residual support = 1.22: HB2 PHE 9 - HN TYR 86 25.000% * 64.7234% (1.00 1.23 1.37) = 64.723% kept HB2 PHE 92 - HN TYR 86 25.000% * 32.9974% (0.53 1.19 1.00) = 32.997% kept QB PHE 32 - HN TYR 86 25.000% * 1.6826% (0.20 0.16 0.02) = 1.683% kept HB3 TRP 67 - HN TYR 86 25.000% * 0.5966% (0.57 0.02 0.02) = 0.597% Peak 1591 (2.14, 9.61, 129.68 ppm): 7 chemical-shift based assignments, quality = 0.894, support = 2.81, residual support = 4.73: HB ILE 85 - HN TYR 86 14.286% * 43.6618% (0.92 3.46 3.73) = 43.662% kept QG GLN 8 - HN TYR 86 14.286% * 35.9736% (0.87 3.04 6.09) = 35.974% kept HB2 ASN 74 - HN TYR 86 14.286% * 15.9965% (0.97 1.21 5.69) = 15.997% kept QB MET 10 - HN TYR 86 14.286% * 2.8605% (0.69 0.30 0.02) = 2.860% kept HB2 GLU- 59 - HN TYR 86 14.286% * 1.2019% (0.41 0.21 0.02) = 1.202% kept HB3 MET 101 - HN TYR 86 14.286% * 0.2449% (0.90 0.02 0.02) = 0.245% HB2 LEU 82 - HN TYR 86 14.286% * 0.0608% (0.22 0.02 0.02) = 0.061% Peak 1592 (0.97, 9.61, 129.68 ppm): 10 chemical-shift based assignments, quality = 0.8, support = 2.01, residual support = 2.42: QG2 ILE 85 - HN TYR 86 10.000% * 60.4995% (0.95 2.73 3.73) = 60.500% kept QG2 THR 64 - HN TYR 86 10.000% * 17.7892% (0.73 1.05 0.73) = 17.789% kept QG1 VAL 40 - HN TYR 86 10.000% * 12.7849% (0.45 1.22 0.17) = 12.785% kept QG2 ILE 14 - HN TYR 86 10.000% * 4.1391% (0.73 0.24 0.30) = 4.139% kept HB3 ARG+ 48 - HN TYR 86 10.000% * 2.1667% (0.28 0.33 0.10) = 2.167% kept QD1 ILE 38 - HN TYR 86 10.000% * 1.6820% (0.28 0.26 0.02) = 1.682% kept HG3 LYS+ 56 - HN TYR 86 10.000% * 0.3220% (0.69 0.02 0.02) = 0.322% QD2 LEU 82 - HN TYR 86 10.000% * 0.2466% (0.53 0.02 0.02) = 0.247% HG LEU 76 - HN TYR 86 10.000% * 0.2101% (0.45 0.02 0.02) = 0.210% QG2 VAL 52 - HN TYR 86 10.000% * 0.1599% (0.34 0.02 0.02) = 0.160% Peak 1593 (0.49, 9.61, 129.68 ppm): 1 chemical-shift based assignment, quality = 0.487, support = 3.87, residual support = 11.9: QG2 VAL 7 - HN TYR 86 100.000% *100.0000% (0.49 3.87 11.88) = 100.000% kept Peak 1594 (8.50, 8.04, 126.45 ppm): 1 chemical-shift based assignment, quality = 0.487, support = 0.02, residual support = 0.02: T HN SER 46 - HN ASP- 87 100.000% *100.0000% (0.49 10.00 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1595 (9.60, 8.04, 126.45 ppm): 4 chemical-shift based assignments, quality = 0.346, support = 1.0, residual support = 0.585: HN LEU 42 - HN ASP- 87 25.000% * 67.7933% (0.34 1.24 0.76) = 67.793% kept HN TYR 93 - HN ASP- 87 25.000% * 28.3120% (0.31 0.57 0.15) = 28.312% kept HN TYR 86 - HN ASP- 87 25.000% * 2.6873% (0.84 0.02 0.95) = 2.687% kept HN ILE 85 - HN ASP- 87 25.000% * 1.2075% (0.38 0.02 0.02) = 1.207% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1596 (7.01, 8.04, 126.45 ppm): 1 chemical-shift based assignment, quality = 0.223, support = 0.121, residual support = 0.121: HE ARG+ 90 - HN ASP- 87 100.000% *100.0000% (0.22 0.12 0.12) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1597 (7.16, 8.04, 126.45 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 0.715, residual support = 1.06: HN PHE 32 - HN ASP- 87 100.000% *100.0000% (0.73 0.72 1.06) = 100.000% kept Peak 1598 (5.47, 8.04, 126.45 ppm): 2 chemical-shift based assignments, quality = 0.175, support = 0.997, residual support = 0.949: O HA TYR 86 - HN ASP- 87 50.000% * 99.7464% (0.18 10.0 1.00 0.95) = 99.746% kept HA THR 51 - HN ASP- 87 50.000% * 0.2536% (0.22 1.0 0.02 0.02) = 0.254% Not enough quality. Peak unassigned. Peak 1599 (4.85, 8.04, 126.45 ppm): 2 chemical-shift based assignments, quality = 0.171, support = 0.199, residual support = 0.165: HA TRP 50 - HN ASP- 87 50.000% * 82.4712% (0.14 0.24 0.20) = 82.471% kept HA ASP- 78 - HN ASP- 87 50.000% * 17.5288% (0.34 0.02 0.02) = 17.529% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1600 (4.42, 8.04, 126.45 ppm): 3 chemical-shift based assignments, quality = 0.445, support = 0.162, residual support = 0.02: HA ASN 29 - HN ASP- 87 33.333% * 62.0448% (0.45 0.20 0.02) = 62.045% kept HA1 GLY 98 - HN ASP- 87 33.333% * 32.8213% (0.45 0.11 0.02) = 32.821% kept HA TRP 67 - HN ASP- 87 33.333% * 5.1339% (0.38 0.02 0.02) = 5.134% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1601 (3.26, 8.04, 126.45 ppm): 1 chemical-shift based assignment, quality = 0.223, support = 1.43, residual support = 1.43: HD2 ARG+ 88 - HN ASP- 87 100.000% *100.0000% (0.22 1.43 1.43) = 100.000% kept Peak 1602 (3.08, 8.04, 126.45 ppm): 3 chemical-shift based assignments, quality = 0.888, support = 0.65, residual support = 0.645: QB PHE 32 - HN ASP- 87 33.333% * 51.9124% (0.97 0.75 1.06) = 51.912% kept HB2 PHE 92 - HN ASP- 87 33.333% * 38.2500% (0.92 0.58 0.24) = 38.250% kept HB2 PHE 9 - HN ASP- 87 33.333% * 9.8375% (0.34 0.40 0.02) = 9.838% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1603 (2.59, 8.04, 126.45 ppm): 7 chemical-shift based assignments, quality = 0.498, support = 0.403, residual support = 0.176: HA VAL 71 - HN ASP- 87 14.286% * 50.0548% (0.18 0.75 0.33) = 50.055% kept HG3 MET 10 - HN ASP- 87 14.286% * 27.6616% (0.87 0.08 0.02) = 27.662% kept HD3 PRO 35 - HN ASP- 87 14.286% * 7.6048% (1.00 0.02 0.02) = 7.605% kept HB3 ASN 100 - HN ASP- 87 14.286% * 6.8354% (0.90 0.02 0.02) = 6.835% kept HG2 MET 1 - HN ASP- 87 14.286% * 4.3151% (0.57 0.02 0.02) = 4.315% kept HB3 PHE 13 - HN ASP- 87 14.286% * 2.3524% (0.31 0.02 0.02) = 2.352% kept HE2 LYS+ 56 - HN ASP- 87 14.286% * 1.1760% (0.15 0.02 0.02) = 1.176% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1604 (0.50, 8.04, 126.45 ppm): 1 chemical-shift based assignment, quality = 0.897, support = 0.897, residual support = 0.897: QG2 VAL 7 - HN ASP- 87 100.000% *100.0000% (0.90 0.90 0.90) = 100.000% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1605 (8.69, 8.08, 119.55 ppm): 3 chemical-shift based assignments, quality = 0.718, support = 0.955, residual support = 1.34: HN ASP- 78 - HN ASP- 89 33.333% * 60.5488% (0.73 1.19 2.14) = 60.549% kept HN GLY 98 - HN ASP- 89 33.333% * 25.5956% (0.98 0.37 0.14) = 25.596% kept HN LYS+ 56 - HN ASP- 89 33.333% * 13.8556% (0.20 1.00 0.02) = 13.856% kept Peak 1606 (8.47, 8.08, 119.55 ppm): 3 chemical-shift based assignments, quality = 0.816, support = 2.93, residual support = 6.06: T HN THR 91 - HN ASP- 89 33.333% * 61.8887% (0.84 10.00 4.07 9.28) = 61.889% kept T HN GLU- 23 - HN ASP- 89 33.333% * 33.8562% (0.76 10.00 1.20 0.93) = 33.856% kept T HN SER 46 - HN ASP- 89 33.333% * 4.2551% (0.95 10.00 0.12 0.02) = 4.255% kept Peak 1607 (6.42, 8.08, 119.55 ppm): 1 chemical-shift based assignment, quality = 0.867, support = 0.938, residual support = 0.938: HN GLU- 77 - HN ASP- 89 100.000% *100.0000% (0.87 0.94 0.94) = 100.000% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1608 (6.19, 8.08, 119.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1609 (5.25, 8.08, 119.55 ppm): 4 chemical-shift based assignments, quality = 0.912, support = 3.42, residual support = 15.1: HA ARG+ 90 - HN ASP- 89 25.000% * 95.6900% (0.95 3.54 15.74) = 95.690% kept HA PHE 62 - HN ASP- 89 25.000% * 3.8590% (0.18 0.77 0.02) = 3.859% kept HA THR 39 - HN ASP- 89 25.000% * 0.3237% (0.57 0.02 0.02) = 0.324% HA PHE 32 - HN ASP- 89 25.000% * 0.1273% (0.22 0.02 0.02) = 0.127% Peak 1610 (4.89, 8.08, 119.55 ppm): 2 chemical-shift based assignments, quality = 0.741, support = 1.72, residual support = 1.73: HA ASP- 78 - HN ASP- 89 50.000% * 79.7820% (0.73 2.03 2.14) = 79.782% kept HA TYR 97 - HN ASP- 89 50.000% * 20.2180% (0.80 0.47 0.12) = 20.218% kept Peak 1611 (4.39, 8.08, 119.55 ppm): 3 chemical-shift based assignments, quality = 0.883, support = 1.14, residual support = 0.709: HA ASN 29 - HN ASP- 89 33.333% * 80.9897% (0.98 1.29 0.84) = 80.990% kept HA1 GLY 47 - HN ASP- 89 33.333% * 17.5425% (0.49 0.56 0.15) = 17.543% kept HA PRO 33 - HN ASP- 89 33.333% * 1.4678% (0.25 0.09 0.02) = 1.468% kept Peak 1612 (3.90, 8.08, 119.55 ppm): 6 chemical-shift based assignments, quality = 0.97, support = 0.498, residual support = 0.299: HB2 SER 21 - HN ASP- 89 16.667% * 51.6268% (1.00 0.61 0.44) = 51.627% kept QD PRO 12 - HN ASP- 89 16.667% * 36.8906% (0.97 0.45 0.19) = 36.891% kept HA VAL 65 - HN ASP- 89 16.667% * 10.7291% (0.92 0.14 0.02) = 10.729% kept HA MET 101 - HN ASP- 89 16.667% * 0.2960% (0.18 0.02 0.02) = 0.296% HA2 GLY 5 - HN ASP- 89 16.667% * 0.2287% (0.14 0.02 0.02) = 0.229% HA1 GLY 27 - HN ASP- 89 16.667% * 0.2287% (0.14 0.02 0.02) = 0.229% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1613 (2.96, 8.08, 119.55 ppm): 7 chemical-shift based assignments, quality = 0.96, support = 3.78, residual support = 22.9: O HB2 ASP- 89 - HN ASP- 89 14.286% * 71.9738% (0.97 10.0 4.15 29.13) = 71.974% kept HD3 ARG+ 88 - HN ASP- 89 14.286% * 13.0661% (0.92 1.0 3.80 11.31) = 13.066% kept HD3 ARG+ 48 - HN ASP- 89 14.286% * 8.2607% (0.97 1.0 2.30 2.79) = 8.261% kept QE LYS+ 55 - HN ASP- 89 14.286% * 6.5038% (1.00 1.0 1.75 3.73) = 6.504% kept HE3 LYS+ 60 - HN ASP- 89 14.286% * 0.0739% (0.99 1.0 0.02 0.02) = 0.074% QE LYS+ 17 - HN ASP- 89 14.286% * 0.0647% (0.87 1.0 0.02 0.02) = 0.065% HB3 PHE 9 - HN ASP- 89 14.286% * 0.0570% (0.76 1.0 0.02 0.02) = 0.057% Peak 1614 (2.38, 8.08, 119.55 ppm): 4 chemical-shift based assignments, quality = 0.666, support = 3.96, residual support = 27.0: O HB3 ASP- 89 - HN ASP- 89 25.000% * 92.7556% (0.65 10.0 4.20 29.13) = 92.756% kept HE3 LYS+ 56 - HN ASP- 89 25.000% * 6.6941% (0.98 1.0 0.95 0.02) = 6.694% kept HB2 GLN 8 - HN ASP- 89 25.000% * 0.4098% (0.34 1.0 0.17 0.02) = 0.410% HG3 GLU- 68 - HN ASP- 89 25.000% * 0.1405% (0.98 1.0 0.02 0.02) = 0.141% Peak 1615 (2.06, 8.08, 119.55 ppm): 7 chemical-shift based assignments, quality = 0.531, support = 2.38, residual support = 6.07: QB ARG+ 88 - HN ASP- 89 14.286% * 50.9676% (0.41 3.96 11.31) = 50.968% kept HG3 GLN 83 - HN ASP- 89 14.286% * 19.7829% (0.98 0.64 0.70) = 19.783% kept QG PRO 12 - HN ASP- 89 14.286% * 11.3611% (0.49 0.75 0.19) = 11.361% kept HB2 LYS+ 11 - HN ASP- 89 14.286% * 9.8834% (0.61 0.52 0.02) = 9.883% kept HG2 MET 54 - HN ASP- 89 14.286% * 6.8641% (0.15 1.42 2.09) = 6.864% kept HB VAL 52 - HN ASP- 89 14.286% * 1.0015% (0.18 0.18 0.02) = 1.001% kept HB ILE 38 - HN ASP- 89 14.286% * 0.1394% (0.22 0.02 0.02) = 0.139% Peak 1616 (1.35, 8.08, 119.55 ppm): 7 chemical-shift based assignments, quality = 0.623, support = 1.91, residual support = 4.8: HG LEU 63 - HN ASP- 89 14.286% * 38.6236% (0.90 1.11 1.72) = 38.624% kept HG2 ARG+ 88 - HN ASP- 89 14.286% * 29.6709% (0.18 4.35 11.31) = 29.671% kept QG LYS+ 55 - HN ASP- 89 14.286% * 20.9725% (0.65 0.83 3.73) = 20.973% kept QB ALA 34 - HN ASP- 89 14.286% * 6.5522% (1.00 0.17 0.02) = 6.552% kept HG12 ILE 14 - HN ASP- 89 14.286% * 3.2238% (0.73 0.11 0.02) = 3.224% kept QG LYS+ 60 - HN ASP- 89 14.286% * 0.7629% (0.98 0.02 0.02) = 0.763% HG2 LYS+ 17 - HN ASP- 89 14.286% * 0.1941% (0.25 0.02 0.02) = 0.194% Peak 1617 (0.31, 8.08, 119.55 ppm): 4 chemical-shift based assignments, quality = 0.725, support = 0.807, residual support = 0.914: QG1 VAL 7 - HN ASP- 89 25.000% * 52.3765% (1.00 0.59 0.30) = 52.377% kept QD1 LEU 63 - HN ASP- 89 25.000% * 44.1104% (0.45 1.11 1.72) = 44.110% kept QD1 ILE 24 - HN ASP- 89 25.000% * 2.7199% (0.15 0.20 0.02) = 2.720% kept QG1 VAL 71 - HN ASP- 89 25.000% * 0.7932% (0.45 0.02 0.02) = 0.793% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1618 (8.08, 9.26, 122.00 ppm): 4 chemical-shift based assignments, quality = 0.983, support = 4.16, residual support = 13.5: T HN ASP- 89 - HN ARG+ 90 25.000% * 84.2117% (0.99 10.00 4.55 15.74) = 84.212% kept HN LEU 22 - HN ARG+ 90 25.000% * 11.1607% (1.00 1.00 2.63 1.75) = 11.161% kept HN MET 54 - HN ARG+ 90 25.000% * 2.4214% (0.65 1.00 0.88 0.10) = 2.421% kept HN ARG+ 48 - HN ARG+ 90 25.000% * 2.2062% (0.99 1.00 0.53 3.03) = 2.206% kept Peak 1619 (8.48, 9.26, 122.00 ppm): 3 chemical-shift based assignments, quality = 0.467, support = 5.93, residual support = 23.5: T HN THR 91 - HN ARG+ 90 33.333% * 83.4484% (0.41 10.00 6.84 28.12) = 83.448% kept HN SER 46 - HN ARG+ 90 33.333% * 11.6454% (0.92 1.00 1.24 0.12) = 11.645% kept HN GLU- 23 - HN ARG+ 90 33.333% * 4.9062% (0.34 1.00 1.42 0.15) = 4.906% kept Peak 1620 (8.08, 8.46, 118.64 ppm): 4 chemical-shift based assignments, quality = 0.988, support = 3.42, residual support = 6.58: T HN LEU 22 - HN THR 91 25.000% * 48.5533% (1.00 10.00 2.95 4.32) = 48.553% kept T HN ASP- 89 - HN THR 91 25.000% * 48.2306% (0.99 10.00 4.07 9.28) = 48.231% kept HN MET 54 - HN THR 91 25.000% * 1.7299% (0.65 1.00 1.10 0.35) = 1.730% kept HN ARG+ 48 - HN THR 91 25.000% * 1.4862% (0.99 1.00 0.62 0.02) = 1.486% kept Peak 1621 (9.28, 8.46, 118.64 ppm): 4 chemical-shift based assignments, quality = 0.339, support = 5.03, residual support = 20.7: T HN ARG+ 90 - HN THR 91 25.000% * 68.3305% (0.18 10.00 6.84 28.12) = 68.331% kept HN LEU 43 - HN THR 91 25.000% * 15.6227% (1.00 1.00 0.80 8.25) = 15.623% kept HN LYS+ 55 - HN THR 91 25.000% * 12.6567% (0.38 1.00 1.73 1.80) = 12.657% kept HN GLN 83 - HN THR 91 25.000% * 3.3901% (0.45 1.00 0.39 0.02) = 3.390% kept Peak 1622 (6.70, 6.99, 117.04 ppm): 1 chemical-shift based assignment, quality = 0.835, support = 0.412, residual support = 0.412: HD22 ASN 75 - HE ARG+ 90 100.000% *100.0000% (0.84 0.41 0.41) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1623 (6.53, 6.99, 117.04 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1624 (3.41, 6.99, 117.04 ppm): 4 chemical-shift based assignments, quality = 0.894, support = 3.61, residual support = 89.1: O HD2 ARG+ 90 - HE ARG+ 90 25.000% * 99.6312% (0.90 10.0 3.62 89.45) = 99.631% kept QD ARG+ 53 - HE ARG+ 90 25.000% * 0.2692% (0.57 1.0 0.09 0.02) = 0.269% HA ILE 24 - HE ARG+ 90 25.000% * 0.0719% (0.65 1.0 0.02 0.12) = 0.072% HB2 TRP 50 - HE ARG+ 90 25.000% * 0.0277% (0.25 1.0 0.02 0.02) = 0.028% Peak 1625 (3.19, 6.99, 117.04 ppm): 3 chemical-shift based assignments, quality = 0.907, support = 3.46, residual support = 85.7: O HD3 ARG+ 90 - HE ARG+ 90 33.333% * 95.6637% (0.92 10.0 3.55 89.45) = 95.664% kept HB2 ASN 69 - HE ARG+ 90 33.333% * 4.2329% (0.57 1.0 1.44 2.76) = 4.233% kept HB3 SER 18 - HE ARG+ 90 33.333% * 0.1034% (1.00 1.0 0.02 0.02) = 0.103% Peak 1626 (2.50, 6.99, 117.04 ppm): 3 chemical-shift based assignments, quality = 0.751, support = 3.77, residual support = 75.6: HB2 ARG+ 90 - HE ARG+ 90 33.333% * 84.2663% (0.73 4.35 89.45) = 84.266% kept HG2 GLU- 68 - HE ARG+ 90 33.333% * 15.4946% (0.90 0.65 1.41) = 15.495% kept QB PHE 62 - HE ARG+ 90 33.333% * 0.2391% (0.45 0.02 0.68) = 0.239% Peak 1627 (1.82, 6.99, 117.04 ppm): 7 chemical-shift based assignments, quality = 0.47, support = 3.19, residual support = 53.6: HB3 ARG+ 90 - HE ARG+ 90 14.286% * 58.9959% (0.28 5.00 89.45) = 58.996% kept HG LEU 42 - HE ARG+ 90 14.286% * 27.5971% (0.87 0.75 2.92) = 27.597% kept QE MET 10 - HE ARG+ 90 14.286% * 6.6997% (0.38 0.42 0.02) = 6.700% kept HG2 ARG+ 53 - HE ARG+ 90 14.286% * 3.6939% (0.90 0.10 0.02) = 3.694% kept HB3 LYS+ 17 - HE ARG+ 90 14.286% * 1.6813% (0.49 0.08 0.02) = 1.681% kept HB ILE 24 - HE ARG+ 90 14.286% * 0.7832% (0.92 0.02 0.12) = 0.783% HD3 PRO 25 - HE ARG+ 90 14.286% * 0.5488% (0.65 0.02 0.02) = 0.549% Peak 1628 (1.60, 6.99, 117.04 ppm): 6 chemical-shift based assignments, quality = 0.455, support = 3.72, residual support = 75.1: O QG ARG+ 90 - HE ARG+ 90 16.667% * 83.9333% (0.41 10.0 4.31 89.45) = 83.933% kept HB VAL 94 - HE ARG+ 90 16.667% * 5.5594% (0.73 1.0 0.75 0.02) = 5.559% kept HG LEU 43 - HE ARG+ 90 16.667% * 5.4907% (0.61 1.0 0.89 0.18) = 5.491% kept HB ILE 96 - HE ARG+ 90 16.667% * 3.3944% (0.76 1.0 0.44 0.02) = 3.394% kept QG LYS+ 80 - HE ARG+ 90 16.667% * 1.4252% (0.73 1.0 0.19 0.02) = 1.425% kept QB LEU 26 - HE ARG+ 90 16.667% * 0.1970% (0.97 1.0 0.02 0.02) = 0.197% Peak 1629 (0.99, 6.99, 117.04 ppm): 8 chemical-shift based assignments, quality = 0.806, support = 1.21, residual support = 2.7: QG1 VAL 40 - HE ARG+ 90 12.500% * 31.8379% (0.87 1.75 2.86) = 31.838% kept QG2 THR 64 - HE ARG+ 90 12.500% * 23.4614% (1.00 1.12 4.33) = 23.461% kept QD1 ILE 38 - HE ARG+ 90 12.500% * 17.1724% (0.69 1.19 1.48) = 17.172% kept QG2 ILE 85 - HE ARG+ 90 12.500% * 8.8658% (0.92 0.46 0.02) = 8.866% kept HG LEU 76 - HE ARG+ 90 12.500% * 7.3461% (0.87 0.40 0.02) = 7.346% kept HG3 LYS+ 56 - HE ARG+ 90 12.500% * 7.2433% (0.28 1.24 7.09) = 7.243% kept QG2 ILE 14 - HE ARG+ 90 12.500% * 3.9998% (0.31 0.62 0.02) = 4.000% kept QD2 LEU 82 - HE ARG+ 90 12.500% * 0.0733% (0.18 0.02 0.02) = 0.073% Peak 1630 (4.87, 9.26, 122.00 ppm): 1 chemical-shift based assignment, quality = 0.801, support = 1.42, residual support = 1.42: HA ASP- 78 - HN ARG+ 90 100.000% *100.0000% (0.80 1.42 1.42) = 100.000% kept Peak 1631 (3.92, 9.26, 122.00 ppm): 6 chemical-shift based assignments, quality = 0.723, support = 2.88, residual support = 22.6: HB THR 91 - HN ARG+ 90 16.667% * 80.4523% (0.84 3.30 28.12) = 80.452% kept HB2 SER 21 - HN ARG+ 90 16.667% * 13.2348% (0.31 1.47 0.18) = 13.235% kept QD PRO 12 - HN ARG+ 90 16.667% * 4.7234% (0.22 0.73 0.02) = 4.723% kept HA VAL 65 - HN ARG+ 90 16.667% * 0.5765% (0.18 0.11 0.02) = 0.577% HA2 GLY 5 - HN ARG+ 90 16.667% * 0.5065% (0.87 0.02 0.02) = 0.506% HA1 GLY 27 - HN ARG+ 90 16.667% * 0.5065% (0.87 0.02 0.02) = 0.506% Peak 1632 (3.13, 9.26, 122.00 ppm): 5 chemical-shift based assignments, quality = 0.599, support = 1.32, residual support = 2.44: HD2 ARG+ 48 - HN ARG+ 90 20.000% * 69.8531% (0.61 1.74 3.03) = 69.853% kept HB2 PHE 13 - HN ARG+ 90 20.000% * 16.8006% (0.69 0.37 1.49) = 16.801% kept HB3 TYR 86 - HN ARG+ 90 20.000% * 12.2388% (0.49 0.38 0.58) = 12.239% kept HB3 TRP 67 - HN ARG+ 90 20.000% * 0.6980% (0.53 0.02 0.88) = 0.698% QB HIS 99 - HN ARG+ 90 20.000% * 0.4095% (0.31 0.02 0.02) = 0.409% Peak 1633 (2.95, 9.26, 122.00 ppm): 8 chemical-shift based assignments, quality = 0.793, support = 3.4, residual support = 9.96: HB2 ASP- 89 - HN ARG+ 90 12.500% * 57.0296% (0.90 4.72 15.74) = 57.030% kept QE LYS+ 55 - HN ARG+ 90 12.500% * 17.0441% (0.80 1.58 2.84) = 17.044% kept HD3 ARG+ 48 - HN ARG+ 90 12.500% * 16.3376% (0.61 2.00 3.03) = 16.338% kept HD3 ARG+ 88 - HN ARG+ 90 12.500% * 8.7768% (0.53 1.24 0.02) = 8.777% kept HB3 PHE 9 - HN ARG+ 90 12.500% * 0.2694% (1.00 0.02 0.20) = 0.269% QE LYS+ 17 - HN ARG+ 90 12.500% * 0.2641% (0.98 0.02 0.02) = 0.264% HE3 LYS+ 60 - HN ARG+ 90 12.500% * 0.2250% (0.84 0.02 0.02) = 0.225% QB ASN 29 - HN ARG+ 90 12.500% * 0.0533% (0.20 0.02 0.02) = 0.053% Peak 1634 (2.39, 9.26, 122.00 ppm): 4 chemical-shift based assignments, quality = 0.94, support = 3.96, residual support = 12.7: HB3 ASP- 89 - HN ARG+ 90 25.000% * 67.7003% (0.99 4.88 15.74) = 67.700% kept HE3 LYS+ 56 - HN ARG+ 90 25.000% * 27.4261% (0.84 2.34 7.09) = 27.426% kept HB2 GLN 8 - HN ARG+ 90 25.000% * 3.7567% (0.80 0.34 2.47) = 3.757% kept HG3 GLU- 68 - HN ARG+ 90 25.000% * 1.1169% (0.84 0.10 1.41) = 1.117% kept Peak 1635 (1.83, 9.26, 122.00 ppm): 9 chemical-shift based assignments, quality = 0.679, support = 5.83, residual support = 87.2: O HB3 ARG+ 90 - HN ARG+ 90 11.111% * 97.4671% (0.69 10.0 5.97 89.45) = 97.467% kept HG2 ARG+ 53 - HN ARG+ 90 11.111% * 1.9918% (0.49 1.0 0.58 0.02) = 1.992% kept HD3 PRO 25 - HN ARG+ 90 11.111% * 0.1391% (0.98 1.0 0.02 0.02) = 0.139% HB ILE 24 - HN ARG+ 90 11.111% * 0.1342% (0.95 1.0 0.02 0.12) = 0.134% QE MET 10 - HN ARG+ 90 11.111% * 0.1136% (0.80 1.0 0.02 0.02) = 0.114% HG LEU 42 - HN ARG+ 90 11.111% * 0.0636% (0.45 1.0 0.02 2.92) = 0.064% HG3 PRO 33 - HN ARG+ 90 11.111% * 0.0438% (0.31 1.0 0.02 0.02) = 0.044% HB3 PRO 33 - HN ARG+ 90 11.111% * 0.0248% (0.18 1.0 0.02 0.02) = 0.025% HB3 LYS+ 17 - HN ARG+ 90 11.111% * 0.0219% (0.15 1.0 0.02 0.02) = 0.022% Peak 1636 (1.58, 9.26, 122.00 ppm): 5 chemical-shift based assignments, quality = 0.966, support = 6.18, residual support = 85.1: QG ARG+ 90 - HN ARG+ 90 20.000% * 95.0981% (0.98 6.48 89.45) = 95.098% kept QG LYS+ 80 - HN ARG+ 90 20.000% * 3.6653% (0.76 0.32 0.02) = 3.665% kept HG12 ILE 85 - HN ARG+ 90 20.000% * 1.0099% (0.61 0.11 0.02) = 1.010% kept QB LEU 26 - HN ARG+ 90 20.000% * 0.1342% (0.45 0.02 0.02) = 0.134% HG2 LYS+ 72 - HN ARG+ 90 20.000% * 0.0924% (0.31 0.02 0.02) = 0.092% Peak 1637 (1.03, 9.26, 122.00 ppm): 2 chemical-shift based assignments, quality = 0.739, support = 2.94, residual support = 24.3: QG2 THR 91 - HN ARG+ 90 50.000% * 81.7208% (0.84 3.17 28.12) = 81.721% kept HG2 LYS+ 56 - HN ARG+ 90 50.000% * 18.2792% (0.31 1.92 7.09) = 18.279% kept Peak 1638 (3.13, 8.08, 119.55 ppm): 5 chemical-shift based assignments, quality = 0.599, support = 1.54, residual support = 1.7: HD2 ARG+ 48 - HN ASP- 89 20.000% * 59.5246% (0.61 2.22 2.79) = 59.525% kept HB2 PHE 13 - HN ASP- 89 20.000% * 20.9480% (0.69 0.69 0.16) = 20.948% kept HB3 TYR 86 - HN ASP- 89 20.000% * 10.3357% (0.49 0.48 0.02) = 10.336% kept HB3 TRP 67 - HN ASP- 89 20.000% * 7.1765% (0.53 0.31 0.02) = 7.177% kept QB HIS 99 - HN ASP- 89 20.000% * 2.0151% (0.31 0.15 0.02) = 2.015% kept Peak 1639 (6.41, 8.46, 118.64 ppm): 1 chemical-shift based assignment, quality = 0.448, support = 0.296, residual support = 0.296: HN GLU- 77 - HN THR 91 100.000% *100.0000% (0.45 0.30 0.30) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1640 (6.06, 8.46, 118.64 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1641 (5.24, 8.46, 118.64 ppm): 3 chemical-shift based assignments, quality = 0.565, support = 5.45, residual support = 28.1: O HA ARG+ 90 - HN THR 91 33.333% * 99.8581% (0.57 10.0 5.46 28.12) = 99.858% kept HA PHE 32 - HN THR 91 33.333% * 0.1070% (0.61 1.0 0.02 0.02) = 0.107% HA THR 39 - HN THR 91 33.333% * 0.0349% (0.20 1.0 0.02 0.02) = 0.035% Peak 1642 (5.38, 8.46, 118.64 ppm): 2 chemical-shift based assignments, quality = 0.944, support = 3.77, residual support = 24.9: O HA THR 91 - HN THR 91 50.000% * 95.6437% (0.95 10.0 3.90 25.71) = 95.644% kept HA LEU 42 - HN THR 91 50.000% * 4.3563% (0.90 1.0 0.96 5.99) = 4.356% kept Peak 1643 (4.85, 8.46, 118.64 ppm): 2 chemical-shift based assignments, quality = 0.312, support = 1.16, residual support = 0.948: HA ASP- 78 - HN THR 91 50.000% * 85.6231% (0.34 1.27 1.08) = 85.623% kept HA TRP 50 - HN THR 91 50.000% * 14.3769% (0.14 0.54 0.15) = 14.377% kept Peak 1644 (2.96, 8.46, 118.64 ppm): 7 chemical-shift based assignments, quality = 0.958, support = 2.43, residual support = 5.9: HB2 ASP- 89 - HN THR 91 14.286% * 59.7217% (0.97 3.53 9.28) = 59.722% kept QE LYS+ 55 - HN THR 91 14.286% * 19.3864% (1.00 1.11 1.80) = 19.386% kept HD3 ARG+ 88 - HN THR 91 14.286% * 10.0398% (0.92 0.62 0.02) = 10.040% kept HD3 ARG+ 48 - HN THR 91 14.286% * 8.9354% (0.97 0.53 0.02) = 8.935% kept HB3 PHE 9 - HN THR 91 14.286% * 1.2651% (0.76 0.09 0.02) = 1.265% kept HE3 LYS+ 60 - HN THR 91 14.286% * 0.3474% (0.99 0.02 0.02) = 0.347% QE LYS+ 17 - HN THR 91 14.286% * 0.3040% (0.87 0.02 0.02) = 0.304% Peak 1645 (2.56, 8.46, 118.64 ppm): 6 chemical-shift based assignments, quality = 0.751, support = 0.599, residual support = 5.16: HE2 LYS+ 56 - HN THR 91 16.667% * 60.4867% (0.95 0.59 6.39) = 60.487% kept HB3 ASP- 41 - HN THR 91 16.667% * 31.2121% (0.38 0.77 4.11) = 31.212% kept HB3 ASN 75 - HN THR 91 16.667% * 2.3283% (0.28 0.08 0.24) = 2.328% kept HG3 MET 1 - HN THR 91 16.667% * 2.1647% (1.00 0.02 0.02) = 2.165% kept HB3 TYR 81 - HN THR 91 16.667% * 2.1503% (0.99 0.02 0.56) = 2.150% kept HB3 PHE 13 - HN THR 91 16.667% * 1.6580% (0.76 0.02 0.02) = 1.658% kept Peak 1646 (2.40, 8.46, 118.64 ppm): 4 chemical-shift based assignments, quality = 0.744, support = 3.18, residual support = 8.63: HB3 ASP- 89 - HN THR 91 25.000% * 79.2024% (0.84 3.55 9.28) = 79.202% kept HE3 LYS+ 56 - HN THR 91 25.000% * 20.0454% (0.41 1.83 6.39) = 20.045% kept HB2 GLN 8 - HN THR 91 25.000% * 0.5328% (1.00 0.02 0.02) = 0.533% HG3 GLU- 68 - HN THR 91 25.000% * 0.2195% (0.41 0.02 0.02) = 0.220% Peak 1647 (1.84, 8.46, 118.64 ppm): 9 chemical-shift based assignments, quality = 0.957, support = 5.07, residual support = 25.7: HB3 ARG+ 90 - HN THR 91 11.111% * 91.2472% (1.00 5.52 28.12) = 91.247% kept QB MET 54 - HN THR 91 11.111% * 3.4435% (0.34 0.61 0.35) = 3.443% kept QE MET 10 - HN THR 91 11.111% * 2.7049% (0.99 0.16 0.22) = 2.705% kept HG3 PRO 33 - HN THR 91 11.111% * 1.0917% (0.76 0.09 0.02) = 1.092% kept HB3 PRO 33 - HN THR 91 11.111% * 0.8088% (0.57 0.09 0.02) = 0.809% HD3 PRO 25 - HN THR 91 11.111% * 0.2766% (0.84 0.02 1.14) = 0.277% HB ILE 24 - HN THR 91 11.111% * 0.1742% (0.53 0.02 0.02) = 0.174% HB3 LYS+ 11 - HN THR 91 11.111% * 0.1612% (0.49 0.02 0.02) = 0.161% QB LYS+ 72 - HN THR 91 11.111% * 0.0921% (0.28 0.02 0.02) = 0.092% Peak 1648 (1.58, 8.46, 118.64 ppm): 5 chemical-shift based assignments, quality = 0.963, support = 5.51, residual support = 26.4: QG ARG+ 90 - HN THR 91 20.000% * 93.7605% (0.98 5.85 28.12) = 93.761% kept QG LYS+ 80 - HN THR 91 20.000% * 5.7932% (0.76 0.46 0.02) = 5.793% kept HG12 ILE 85 - HN THR 91 20.000% * 0.1985% (0.61 0.02 0.02) = 0.199% QB LEU 26 - HN THR 91 20.000% * 0.1467% (0.45 0.02 0.02) = 0.147% HG2 LYS+ 72 - HN THR 91 20.000% * 0.1010% (0.31 0.02 0.02) = 0.101% Peak 1649 (1.01, 8.46, 118.64 ppm): 6 chemical-shift based assignments, quality = 0.661, support = 2.75, residual support = 14.1: QG2 THR 91 - HN THR 91 16.667% * 53.8746% (0.69 4.13 25.71) = 53.875% kept QD1 ILE 38 - HN THR 91 16.667% * 18.3199% (0.80 1.20 0.24) = 18.320% kept QG1 VAL 40 - HN THR 91 16.667% * 14.3764% (0.61 1.25 0.67) = 14.376% kept QG2 THR 64 - HN THR 91 16.667% * 8.1884% (0.34 1.26 1.02) = 8.188% kept HG LEU 76 - HN THR 91 16.667% * 4.7510% (0.61 0.41 0.02) = 4.751% kept QG2 ILE 85 - HN THR 91 16.667% * 0.4898% (0.15 0.17 0.02) = 0.490% Peak 1650 (8.56, 9.57, 122.83 ppm): 3 chemical-shift based assignments, quality = 0.954, support = 4.34, residual support = 25.8: T HN VAL 94 - HN TYR 93 33.333% * 93.6342% (0.97 10.00 4.58 27.53) = 93.634% kept HN PHE 9 - HN TYR 93 33.333% * 4.3401% (0.84 1.00 1.07 0.02) = 4.340% kept HN ASP- 73 - HN TYR 93 33.333% * 2.0257% (0.69 1.00 0.61 0.02) = 2.026% kept Peak 1651 (6.80, 9.57, 122.83 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1652 (5.43, 9.57, 122.83 ppm): 2 chemical-shift based assignments, quality = 0.61, support = 1.43, residual support = 1.32: HA MET 54 - HN TYR 93 50.000% * 81.5790% (0.65 1.63 1.59) = 81.579% kept HA THR 51 - HN TYR 93 50.000% * 18.4210% (0.45 0.53 0.12) = 18.421% kept Peak 1653 (5.30, 9.57, 122.83 ppm): 3 chemical-shift based assignments, quality = 0.521, support = 4.13, residual support = 17.8: O HA TYR 93 - HN TYR 93 33.333% * 99.0411% (0.53 10.0 4.17 18.01) = 99.041% kept HA VAL 52 - HN TYR 93 33.333% * 0.9260% (0.45 1.0 0.22 0.02) = 0.926% HA PHE 62 - HN TYR 93 33.333% * 0.0330% (0.18 1.0 0.02 0.02) = 0.033% Peak 1654 (3.02, 9.57, 122.83 ppm): 7 chemical-shift based assignments, quality = 0.61, support = 0.244, residual support = 0.0683: QE LYS+ 11 - HN TYR 93 14.286% * 38.6640% (0.28 0.50 0.14) = 38.664% kept HA ARG+ 88 - HN TYR 93 14.286% * 25.5042% (0.76 0.12 0.02) = 25.504% kept HB2 TYR 97 - HN TYR 93 14.286% * 21.2516% (0.92 0.08 0.02) = 21.252% kept HB3 ASN 69 - HN TYR 93 14.286% * 5.5118% (0.99 0.02 0.02) = 5.512% kept QE LYS+ 20 - HN TYR 93 14.286% * 4.6450% (0.84 0.02 0.02) = 4.645% kept HE2 LYS+ 60 - HN TYR 93 14.286% * 2.7069% (0.49 0.02 0.02) = 2.707% kept QE LYS+ 72 - HN TYR 93 14.286% * 1.7164% (0.31 0.02 0.02) = 1.716% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1655 (2.82, 9.57, 122.83 ppm): 5 chemical-shift based assignments, quality = 0.848, support = 3.66, residual support = 8.05: HB3 PHE 92 - HN TYR 93 20.000% * 87.9380% (0.87 4.12 9.15) = 87.938% kept HB2 PHE 28 - HN TYR 93 20.000% * 6.5047% (0.97 0.27 0.02) = 6.505% kept HB2 TYR 81 - HN TYR 93 20.000% * 4.8981% (0.45 0.44 0.02) = 4.898% kept HB2 TYR 31 - HN TYR 93 20.000% * 0.3573% (0.73 0.02 0.02) = 0.357% HB2 ASP- 73 - HN TYR 93 20.000% * 0.3018% (0.15 0.08 0.02) = 0.302% Peak 1656 (2.13, 9.57, 122.83 ppm): 6 chemical-shift based assignments, quality = 0.943, support = 1.88, residual support = 3.3: QB MET 10 - HN TYR 93 16.667% * 59.6798% (0.99 2.71 3.06) = 59.680% kept HB ILE 85 - HN TYR 93 16.667% * 18.4148% (0.95 0.87 7.66) = 18.415% kept HB3 MET 101 - HN TYR 93 16.667% * 10.8499% (0.97 0.51 0.02) = 10.850% kept HB2 ASN 74 - HN TYR 93 16.667% * 5.4374% (0.90 0.27 0.02) = 5.437% kept QG GLN 8 - HN TYR 93 16.667% * 5.4186% (0.45 0.54 1.12) = 5.419% kept HB2 MET 1 - HN TYR 93 16.667% * 0.1995% (0.45 0.02 0.02) = 0.200% Peak 1657 (1.82, 9.57, 122.83 ppm): 7 chemical-shift based assignments, quality = 0.772, support = 2.15, residual support = 4.43: HG LEU 42 - HN TYR 93 14.286% * 55.3289% (0.87 2.94 7.02) = 55.329% kept QE MET 10 - HN TYR 93 14.286% * 17.0485% (0.38 2.09 3.06) = 17.048% kept HG2 ARG+ 53 - HN TYR 93 14.286% * 16.5276% (0.90 0.85 0.13) = 16.528% kept HB ILE 24 - HN TYR 93 14.286% * 5.3744% (0.92 0.27 0.02) = 5.374% kept HD3 PRO 25 - HN TYR 93 14.286% * 4.6582% (0.65 0.33 0.02) = 4.658% kept HB3 ARG+ 90 - HN TYR 93 14.286% * 0.8511% (0.28 0.14 0.02) = 0.851% HB3 LYS+ 17 - HN TYR 93 14.286% * 0.2114% (0.49 0.02 0.02) = 0.211% Peak 1658 (1.19, 9.57, 122.83 ppm): 6 chemical-shift based assignments, quality = 0.391, support = 2.3, residual support = 3.17: HB3 LEU 43 - HN TYR 93 16.667% * 52.2934% (0.20 3.77 4.95) = 52.293% kept QE MET 54 - HN TYR 93 16.667% * 36.3810% (0.61 0.85 1.59) = 36.381% kept HG3 GLU- 23 - HN TYR 93 16.667% * 7.3855% (0.41 0.26 0.02) = 7.385% kept QG2 THR 4 - HN TYR 93 16.667% * 1.3542% (0.97 0.02 0.02) = 1.354% kept QG2 THR 39 - HN TYR 93 16.667% * 1.3274% (0.95 0.02 0.02) = 1.327% kept HD3 LYS+ 56 - HN TYR 93 16.667% * 1.2585% (0.90 0.02 0.02) = 1.258% kept Peak 1659 (0.64, 9.57, 122.83 ppm): 5 chemical-shift based assignments, quality = 0.602, support = 3.45, residual support = 5.53: QD1 LEU 42 - HN TYR 93 20.000% * 55.6102% (0.69 3.93 7.02) = 55.610% kept QD2 LEU 42 - HN TYR 93 20.000% * 22.8430% (0.22 4.98 7.02) = 22.843% kept QD1 ILE 96 - HN TYR 93 20.000% * 12.0568% (0.76 0.77 0.02) = 12.057% kept HB2 LEU 22 - HN TYR 93 20.000% * 7.1728% (0.92 0.38 0.23) = 7.173% kept QG2 ILE 24 - HN TYR 93 20.000% * 2.3173% (0.45 0.25 0.02) = 2.317% kept Peak 1660 (9.29, 8.57, 122.13 ppm): 1 chemical-shift based assignment, quality = 0.764, support = 6.31, residual support = 32.5: T HN LEU 43 - HN VAL 94 100.000% *100.0000% (0.76 10.00 6.31 32.51) = 100.000% kept Peak 1661 (9.60, 8.57, 122.13 ppm): 4 chemical-shift based assignments, quality = 0.426, support = 4.18, residual support = 15.6: T HN ILE 85 - HN VAL 94 25.000% * 43.4213% (0.38 10.00 4.34 9.87) = 43.421% kept T HN TYR 93 - HN VAL 94 25.000% * 35.7087% (0.31 10.00 4.58 27.53) = 35.709% kept HN TYR 86 - HN VAL 94 25.000% * 16.4686% (0.84 1.00 3.41 2.21) = 16.469% kept HN LEU 42 - HN VAL 94 25.000% * 4.4015% (0.34 1.00 2.23 26.40) = 4.401% kept Peak 1662 (6.80, 8.57, 122.13 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1663 (6.64, 8.57, 122.13 ppm): 1 chemical-shift based assignment, quality = 0.487, support = 2.82, residual support = 3.98: HE22 GLN 8 - HN VAL 94 100.000% *100.0000% (0.49 2.82 3.98) = 100.000% kept Peak 1664 (5.03, 8.57, 122.13 ppm): 3 chemical-shift based assignments, quality = 0.98, support = 4.77, residual support = 43.1: O HA VAL 94 - HN VAL 94 33.333% * 95.7831% (0.99 10.0 4.95 44.94) = 95.783% kept HA PHE 9 - HN VAL 94 33.333% * 3.2987% (0.92 1.0 0.74 0.02) = 3.299% kept HA LEU 63 - HN VAL 94 33.333% * 0.9182% (0.69 1.0 0.28 0.02) = 0.918% Peak 1665 (2.81, 8.57, 122.13 ppm): 5 chemical-shift based assignments, quality = 0.914, support = 2.13, residual support = 2.72: HB3 PHE 92 - HN VAL 94 20.000% * 79.2100% (0.97 2.60 3.35) = 79.210% kept HB2 TYR 81 - HN VAL 94 20.000% * 10.5081% (0.90 0.37 0.58) = 10.508% kept HB2 ASP- 73 - HN VAL 94 20.000% * 5.4921% (0.53 0.33 0.02) = 5.492% kept HB2 PHE 28 - HN VAL 94 20.000% * 4.6143% (0.57 0.26 0.02) = 4.614% kept HB2 TYR 31 - HN VAL 94 20.000% * 0.1756% (0.28 0.02 0.02) = 0.176% Peak 1666 (1.60, 8.57, 122.13 ppm): 6 chemical-shift based assignments, quality = 0.706, support = 4.23, residual support = 41.4: O HB VAL 94 - HN VAL 94 16.667% * 81.4125% (0.73 10.0 4.40 44.94) = 81.412% kept HG LEU 43 - HN VAL 94 16.667% * 14.5149% (0.61 1.0 4.27 32.51) = 14.515% kept HB ILE 96 - HN VAL 94 16.667% * 3.5538% (0.76 1.0 0.83 2.10) = 3.554% kept QG LYS+ 80 - HN VAL 94 16.667% * 0.3645% (0.73 1.0 0.09 0.02) = 0.365% QB LEU 26 - HN VAL 94 16.667% * 0.1082% (0.97 1.0 0.02 0.02) = 0.108% QG ARG+ 90 - HN VAL 94 16.667% * 0.0461% (0.41 1.0 0.02 0.02) = 0.046% Peak 1667 (2.06, 8.57, 122.13 ppm): 7 chemical-shift based assignments, quality = 0.939, support = 0.538, residual support = 0.374: HG3 GLN 83 - HN VAL 94 14.286% * 93.2144% (0.98 0.58 0.40) = 93.214% kept HB2 LYS+ 11 - HN VAL 94 14.286% * 2.0014% (0.61 0.02 0.02) = 2.001% kept QG PRO 12 - HN VAL 94 14.286% * 1.6061% (0.49 0.02 0.02) = 1.606% kept QB ARG+ 88 - HN VAL 94 14.286% * 1.3565% (0.41 0.02 0.02) = 1.357% kept HB ILE 38 - HN VAL 94 14.286% * 0.7346% (0.22 0.02 0.02) = 0.735% HB VAL 52 - HN VAL 94 14.286% * 0.5779% (0.18 0.02 0.39) = 0.578% HG2 MET 54 - HN VAL 94 14.286% * 0.5091% (0.15 0.02 0.02) = 0.509% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1668 (1.17, 8.57, 122.13 ppm): 6 chemical-shift based assignments, quality = 0.91, support = 4.2, residual support = 29.6: HB3 LEU 43 - HN VAL 94 16.667% * 91.0074% (0.97 4.57 32.51) = 91.007% kept QG2 VAL 65 - HN VAL 94 16.667% * 4.0691% (0.28 0.71 0.83) = 4.069% kept HD3 LYS+ 56 - HN VAL 94 16.667% * 3.5496% (0.57 0.30 0.02) = 3.550% kept QG2 THR 39 - HN VAL 94 16.667% * 0.9477% (0.18 0.26 0.02) = 0.948% HG3 ARG+ 48 - HN VAL 94 16.667% * 0.3445% (0.84 0.02 0.02) = 0.345% QG2 THR 4 - HN VAL 94 16.667% * 0.0816% (0.20 0.02 0.02) = 0.082% Peak 1671 (0.24, 8.57, 122.13 ppm): 2 chemical-shift based assignments, quality = 0.835, support = 4.52, residual support = 32.2: QG2 VAL 94 - HN VAL 94 50.000% * 70.5299% (0.84 5.46 44.94) = 70.530% kept QD1 LEU 22 - HN VAL 94 50.000% * 29.4701% (0.84 2.28 1.81) = 29.470% kept Peak 1672 (0.64, 8.57, 122.13 ppm): 5 chemical-shift based assignments, quality = 0.652, support = 3.18, residual support = 18.0: QD1 LEU 42 - HN VAL 94 20.000% * 48.9186% (0.69 4.20 26.40) = 48.919% kept QD2 LEU 42 - HN VAL 94 20.000% * 16.9546% (0.22 4.49 26.40) = 16.955% kept QD1 ILE 96 - HN VAL 94 20.000% * 16.5407% (0.76 1.28 2.10) = 16.541% kept HB2 LEU 22 - HN VAL 94 20.000% * 15.4233% (0.92 0.98 1.81) = 15.423% kept QG2 ILE 24 - HN VAL 94 20.000% * 2.1629% (0.45 0.28 0.02) = 2.163% kept Peak 1673 (0.99, 8.57, 122.13 ppm): 8 chemical-shift based assignments, quality = 0.815, support = 1.03, residual support = 8.06: QG2 ILE 85 - HN VAL 94 12.500% * 70.3154% (0.92 1.27 9.87) = 70.315% kept QG1 VAL 40 - HN VAL 94 12.500% * 13.8928% (0.87 0.27 0.02) = 13.893% kept QD2 LEU 82 - HN VAL 94 12.500% * 10.3468% (0.18 0.98 10.73) = 10.347% kept QG2 ILE 14 - HN VAL 94 12.500% * 2.0379% (0.31 0.11 0.02) = 2.038% kept QG2 THR 64 - HN VAL 94 12.500% * 1.2012% (1.00 0.02 0.02) = 1.201% kept HG LEU 76 - HN VAL 94 12.500% * 1.0443% (0.87 0.02 0.02) = 1.044% kept QD1 ILE 38 - HN VAL 94 12.500% * 0.8269% (0.69 0.02 0.02) = 0.827% HG3 LYS+ 56 - HN VAL 94 12.500% * 0.3347% (0.28 0.02 0.02) = 0.335% Peak 1674 (0.86, 8.57, 122.13 ppm): 4 chemical-shift based assignments, quality = 0.884, support = 4.34, residual support = 31.7: QD1 ILE 95 - HN VAL 94 25.000% * 51.4596% (0.92 5.22 36.56) = 51.460% kept QD2 LEU 43 - HN VAL 94 25.000% * 36.8454% (1.00 3.46 32.51) = 36.845% kept QD1 ILE 85 - HN VAL 94 25.000% * 8.8645% (0.20 4.20 9.87) = 8.865% kept QG2 VAL 40 - HN VAL 94 25.000% * 2.8304% (0.84 0.32 0.02) = 2.830% kept Peak 1675 (9.29, 9.01, 128.35 ppm): 1 chemical-shift based assignment, quality = 0.764, support = 1.95, residual support = 1.95: HN LEU 43 - HN ILE 95 100.000% *100.0000% (0.76 1.95 1.95) = 100.000% kept Peak 1676 (9.61, 9.01, 128.35 ppm): 2 chemical-shift based assignments, quality = 0.891, support = 3.02, residual support = 3.28: HN ILE 85 - HN ILE 95 50.000% * 61.2965% (0.84 3.67 4.90) = 61.296% kept HN TYR 86 - HN ILE 95 50.000% * 38.7035% (0.98 1.98 0.73) = 38.704% kept Peak 1677 (6.80, 9.01, 128.35 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1678 (4.12, 9.01, 128.35 ppm): 6 chemical-shift based assignments, quality = 0.603, support = 6.37, residual support = 178.8: O HA ILE 95 - HN ILE 95 16.667% * 99.4358% (0.61 10.0 6.40 179.78) = 99.436% kept HA GLU- 30 - HN ILE 95 16.667% * 0.1551% (0.95 1.0 0.02 0.02) = 0.155% HB THR 39 - HN ILE 95 16.667% * 0.1369% (0.84 1.0 0.02 0.02) = 0.137% HA GLU- 16 - HN ILE 95 16.667% * 0.1126% (0.69 1.0 0.02 0.02) = 0.113% QB SER 19 - HN ILE 95 16.667% * 0.0798% (0.49 1.0 0.02 0.02) = 0.080% HA LEU 26 - HN ILE 95 16.667% * 0.0798% (0.49 1.0 0.02 0.02) = 0.080% Peak 1679 (1.74, 9.01, 128.35 ppm): 9 chemical-shift based assignments, quality = 0.172, support = 5.75, residual support = 168.0: O HB ILE 95 - HN ILE 95 11.111% * 93.4364% (0.15 10.0 6.15 179.78) = 93.436% kept HB3 PRO 25 - HN ILE 95 11.111% * 2.2337% (0.92 1.0 0.08 0.02) = 2.234% kept HB2 GLU- 23 - HN ILE 95 11.111% * 2.2203% (0.34 1.0 0.21 0.02) = 2.220% kept HB2 ARG+ 48 - HN ILE 95 11.111% * 0.5728% (0.95 1.0 0.02 0.02) = 0.573% HB ILE 14 - HN ILE 95 11.111% * 0.5431% (0.90 1.0 0.02 0.16) = 0.543% HG12 ILE 38 - HN ILE 95 11.111% * 0.5253% (0.87 1.0 0.02 0.02) = 0.525% HB2 LYS+ 55 - HN ILE 95 11.111% * 0.2066% (0.34 1.0 0.02 0.27) = 0.207% HB VAL 61 - HN ILE 95 11.111% * 0.1684% (0.28 1.0 0.02 0.02) = 0.168% QB GLU- 30 - HN ILE 95 11.111% * 0.0934% (0.15 1.0 0.02 0.02) = 0.093% Peak 1680 (1.57, 9.01, 128.35 ppm): 4 chemical-shift based assignments, quality = 0.919, support = 1.43, residual support = 4.58: HG12 ILE 85 - HN ILE 95 25.000% * 93.6139% (0.97 1.52 4.90) = 93.614% kept QG LYS+ 80 - HN ILE 95 25.000% * 4.6311% (0.34 0.21 0.02) = 4.631% kept HG2 LYS+ 72 - HN ILE 95 25.000% * 0.9281% (0.73 0.02 0.19) = 0.928% QG ARG+ 90 - HN ILE 95 25.000% * 0.8269% (0.65 0.02 0.02) = 0.827% Peak 1681 (1.09, 9.01, 128.35 ppm): 4 chemical-shift based assignments, quality = 0.624, support = 1.26, residual support = 2.13: QG1 VAL 52 - HN ILE 95 25.000% * 54.7160% (0.90 1.02 1.23) = 54.716% kept HG13 ILE 85 - HN ILE 95 25.000% * 29.4260% (0.22 2.21 4.90) = 29.426% kept HG13 ILE 14 - HN ILE 95 25.000% * 8.0051% (0.38 0.36 0.16) = 8.005% kept HG12 ILE 24 - HN ILE 95 25.000% * 7.8529% (0.49 0.27 0.10) = 7.853% kept Peak 1682 (0.86, 9.01, 128.35 ppm): 4 chemical-shift based assignments, quality = 0.872, support = 6.12, residual support = 142.9: QD1 ILE 95 - HN ILE 95 25.000% * 79.1533% (0.92 7.28 179.78) = 79.153% kept QD2 LEU 43 - HN ILE 95 25.000% * 10.5061% (1.00 0.89 1.95) = 10.506% kept QD1 ILE 85 - HN ILE 95 25.000% * 7.8136% (0.20 3.35 4.90) = 7.814% kept QG2 VAL 40 - HN ILE 95 25.000% * 2.5271% (0.84 0.26 0.02) = 2.527% kept Peak 1683 (0.50, 9.01, 128.35 ppm): 1 chemical-shift based assignment, quality = 0.897, support = 0.825, residual support = 2.35: QG2 VAL 7 - HN ILE 95 100.000% *100.0000% (0.90 0.83 2.35) = 100.000% kept Peak 1684 (0.24, 9.01, 128.35 ppm): 2 chemical-shift based assignments, quality = 0.835, support = 5.31, residual support = 27.5: QG2 VAL 94 - HN ILE 95 50.000% * 71.7292% (0.84 6.41 36.56) = 71.729% kept QD1 LEU 22 - HN ILE 95 50.000% * 28.2708% (0.84 2.53 4.56) = 28.271% kept Peak 1685 (8.57, 9.01, 128.35 ppm): 3 chemical-shift based assignments, quality = 0.866, support = 4.23, residual support = 34.5: HN VAL 94 - HN ILE 95 33.333% * 94.4236% (0.90 4.46 36.56) = 94.424% kept HN PHE 9 - HN ILE 95 33.333% * 2.8797% (0.41 0.30 0.02) = 2.880% kept HN ASP- 73 - HN ILE 95 33.333% * 2.6967% (0.28 0.41 0.18) = 2.697% kept Peak 1686 (4.48, 7.82, 126.19 ppm): 8 chemical-shift based assignments, quality = 0.989, support = 0.977, residual support = 1.14: O HA ASN 100 - HN MET 101 12.500% * 97.2921% (1.00 10.0 1.00 1.17) = 97.292% kept HA LYS+ 60 - HN MET 101 12.500% * 1.8394% (0.90 1.0 0.21 0.02) = 1.839% kept HA ASN 69 - HN MET 101 12.500% * 0.1946% (1.00 1.0 0.02 0.02) = 0.195% HA ASN 74 - HN MET 101 12.500% * 0.1942% (1.00 1.0 0.02 0.02) = 0.194% HA VAL 61 - HN MET 101 12.500% * 0.1487% (0.76 1.0 0.02 0.02) = 0.149% HA VAL 7 - HN MET 101 12.500% * 0.1337% (0.69 1.0 0.02 0.02) = 0.134% HA MET 1 - HN MET 101 12.500% * 0.1102% (0.57 1.0 0.02 0.02) = 0.110% HA TYR 31 - HN MET 101 12.500% * 0.0872% (0.45 1.0 0.02 0.02) = 0.087% Peak 1687 (4.24, 7.82, 126.19 ppm): 4 chemical-shift based assignments, quality = 0.901, support = 0.654, residual support = 1.52: HD2 PRO 33 - HN MET 101 25.000% * 77.8598% (1.00 0.75 1.94) = 77.860% kept HA GLU- 59 - HN MET 101 25.000% * 20.2476% (0.57 0.34 0.02) = 20.248% kept HA PHE 13 - HN MET 101 25.000% * 1.4294% (0.69 0.02 0.02) = 1.429% kept HA ASN 75 - HN MET 101 25.000% * 0.4633% (0.22 0.02 0.02) = 0.463% Peak 1688 (2.33, 7.82, 126.19 ppm): 2 chemical-shift based assignments, quality = 0.911, support = 0.676, residual support = 1.61: HB2 PRO 33 - HN MET 101 50.000% * 82.6745% (1.00 0.75 1.94) = 82.675% kept QG GLU- 59 - HN MET 101 50.000% * 17.3255% (0.49 0.32 0.02) = 17.325% kept Peak 1689 (2.00, 7.82, 126.19 ppm): 6 chemical-shift based assignments, quality = 0.402, support = 0.264, residual support = 0.123: HG3 MET 54 - HN MET 101 16.667% * 49.5629% (0.41 0.29 0.02) = 49.563% kept HB2 ARG+ 53 - HN MET 101 16.667% * 31.5829% (0.20 0.38 0.35) = 31.583% kept HB2 LYS+ 20 - HN MET 101 16.667% * 8.2884% (0.98 0.02 0.02) = 8.288% kept HB3 MET 1 - HN MET 101 16.667% * 5.4701% (0.65 0.02 0.02) = 5.470% kept HB VAL 65 - HN MET 101 16.667% * 3.7910% (0.45 0.02 0.02) = 3.791% kept HB3 GLN 83 - HN MET 101 16.667% * 1.3047% (0.15 0.02 0.02) = 1.305% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1690 (1.82, 7.82, 126.19 ppm): 7 chemical-shift based assignments, quality = 0.878, support = 0.524, residual support = 0.278: HG2 ARG+ 53 - HN MET 101 14.286% * 78.7937% (0.90 0.64 0.35) = 78.794% kept HB ILE 24 - HN MET 101 14.286% * 13.9584% (0.92 0.11 0.02) = 13.958% kept HG LEU 42 - HN MET 101 14.286% * 2.3685% (0.87 0.02 0.02) = 2.368% kept HD3 PRO 25 - HN MET 101 14.286% * 1.7664% (0.65 0.02 0.02) = 1.766% kept HB3 LYS+ 17 - HN MET 101 14.286% * 1.3291% (0.49 0.02 0.02) = 1.329% kept QE MET 10 - HN MET 101 14.286% * 1.0248% (0.38 0.02 0.02) = 1.025% kept HB3 ARG+ 90 - HN MET 101 14.286% * 0.7592% (0.28 0.02 0.02) = 0.759% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1691 (4.88, 8.69, 108.37 ppm): 2 chemical-shift based assignments, quality = 0.374, support = 1.31, residual support = 1.25: O HA TYR 97 - HN GLY 98 50.000% * 99.5979% (0.38 10.0 1.32 1.26) = 99.598% kept HA ASP- 78 - HN GLY 98 50.000% * 0.4021% (1.00 1.0 0.02 0.02) = 0.402% Peak 1692 (4.02, 8.69, 108.37 ppm): 6 chemical-shift based assignments, quality = 0.561, support = 1.26, residual support = 4.45: O HA2 GLY 98 - HN GLY 98 16.667% * 99.1733% (0.57 10.0 1.27 4.48) = 99.173% kept HA1 GLY 58 - HN GLY 98 16.667% * 0.2738% (0.99 1.0 0.02 0.02) = 0.274% HA2 GLY 66 - HN GLY 98 16.667% * 0.2111% (0.76 1.0 0.02 0.02) = 0.211% HA1 GLY 5 - HN GLY 98 16.667% * 0.1787% (0.65 1.0 0.02 0.02) = 0.179% HA LYS+ 72 - HN GLY 98 16.667% * 0.0942% (0.34 1.0 0.02 0.02) = 0.094% HB2 SER 15 - HN GLY 98 16.667% * 0.0689% (0.25 1.0 0.02 0.02) = 0.069% Peak 1693 (4.12, 8.22, 126.68 ppm): 6 chemical-shift based assignments, quality = 0.604, support = 3.7, residual support = 10.6: O HA ILE 95 - HN ILE 96 16.667% * 92.9019% (0.61 10.0 3.92 11.38) = 92.902% kept HA GLU- 16 - HN ILE 96 16.667% * 5.9029% (0.69 1.0 1.12 0.16) = 5.903% kept QB SER 19 - HN ILE 96 16.667% * 0.8479% (0.49 1.0 0.23 0.02) = 0.848% HA GLU- 30 - HN ILE 96 16.667% * 0.1449% (0.95 1.0 0.02 0.02) = 0.145% HB THR 39 - HN ILE 96 16.667% * 0.1279% (0.84 1.0 0.02 0.02) = 0.128% HA LEU 26 - HN ILE 96 16.667% * 0.0746% (0.49 1.0 0.02 0.02) = 0.075% Peak 1694 (1.60, 8.22, 126.68 ppm): 6 chemical-shift based assignments, quality = 0.758, support = 3.56, residual support = 45.4: O HB ILE 96 - HN ILE 96 16.667% * 91.0325% (0.76 10.0 3.81 49.73) = 91.033% kept HB VAL 94 - HN ILE 96 16.667% * 5.4722% (0.73 1.0 1.27 2.10) = 5.472% kept QG LYS+ 80 - HN ILE 96 16.667% * 3.0579% (0.73 1.0 0.71 2.16) = 3.058% kept QG ARG+ 90 - HN ILE 96 16.667% * 0.2502% (0.41 1.0 0.10 0.02) = 0.250% QB LEU 26 - HN ILE 96 16.667% * 0.1150% (0.97 1.0 0.02 0.02) = 0.115% HG LEU 43 - HN ILE 96 16.667% * 0.0722% (0.61 1.0 0.02 0.02) = 0.072% Peak 1695 (0.78, 8.22, 126.68 ppm): 5 chemical-shift based assignments, quality = 0.672, support = 3.05, residual support = 40.6: QG2 ILE 96 - HN ILE 96 20.000% * 79.7934% (0.73 3.63 49.73) = 79.793% kept HG LEU 22 - HN ILE 96 20.000% * 13.8276% (0.45 1.02 1.73) = 13.828% kept QG2 VAL 61 - HN ILE 96 20.000% * 2.8797% (0.53 0.18 2.32) = 2.880% kept HB2 LEU 76 - HN ILE 96 20.000% * 1.8932% (0.49 0.13 30.20) = 1.893% kept QG2 VAL 71 - HN ILE 96 20.000% * 1.6062% (0.41 0.13 0.02) = 1.606% kept Peak 1696 (0.53, 8.22, 126.68 ppm): 2 chemical-shift based assignments, quality = 0.677, support = 3.38, residual support = 10.0: QG2 ILE 95 - HN ILE 96 50.000% * 88.1287% (0.69 3.75 11.38) = 88.129% kept QG2 VAL 7 - HN ILE 96 50.000% * 11.8713% (0.61 0.57 0.11) = 11.871% kept Peak 1697 (0.24, 8.22, 126.68 ppm): 2 chemical-shift based assignments, quality = 0.835, support = 2.4, residual support = 1.92: QG2 VAL 94 - HN ILE 96 50.000% * 52.3250% (0.84 2.51 2.10) = 52.325% kept QD1 LEU 22 - HN ILE 96 50.000% * 47.6750% (0.84 2.29 1.73) = 47.675% kept Peak 1698 (3.20, 8.22, 126.68 ppm): 4 chemical-shift based assignments, quality = 0.795, support = 0.409, residual support = 0.376: HB3 SER 18 - HN ILE 96 25.000% * 91.7139% (0.80 0.44 0.41) = 91.714% kept HB2 ASN 69 - HN ILE 96 25.000% * 4.8763% (0.95 0.02 0.02) = 4.876% kept HD3 ARG+ 90 - HN ILE 96 25.000% * 2.7121% (0.53 0.02 0.02) = 2.712% kept HD2 ARG+ 88 - HN ILE 96 25.000% * 0.6976% (0.14 0.02 0.02) = 0.698% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1699 (6.97, 9.41, 127.35 ppm): 2 chemical-shift based assignments, quality = 0.945, support = 1.42, residual support = 2.72: T HN PHE 70 - HN TYR 97 50.000% * 96.5664% (0.96 10.00 1.43 2.80) = 96.566% kept HE ARG+ 90 - HN TYR 97 50.000% * 3.4336% (0.45 1.00 1.09 0.47) = 3.434% kept Peak 1700 (4.64, 9.41, 127.35 ppm): 2 chemical-shift based assignments, quality = 0.605, support = 0.341, residual support = 0.288: HA ASP- 3 - HN TYR 97 50.000% * 75.4131% (0.61 0.41 0.32) = 75.413% kept HA GLU- 77 - HN TYR 97 50.000% * 24.5869% (0.61 0.13 0.20) = 24.587% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1701 (5.13, 9.41, 127.35 ppm): 4 chemical-shift based assignments, quality = 0.59, support = 0.133, residual support = 0.02: HA GLN 83 - HN TYR 97 25.000% * 78.6855% (0.61 0.16 0.02) = 78.686% kept HA LYS+ 11 - HN TYR 97 25.000% * 11.5049% (0.72 0.02 0.02) = 11.505% kept HA LEU 82 - HN TYR 97 25.000% * 5.4044% (0.34 0.02 0.02) = 5.404% kept HA VAL 40 - HN TYR 97 25.000% * 4.4051% (0.28 0.02 0.02) = 4.405% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1702 (3.01, 9.41, 127.35 ppm): 7 chemical-shift based assignments, quality = 0.927, support = 2.81, residual support = 18.2: O HB2 TYR 97 - HN TYR 97 14.286% * 95.1833% (0.94 10.0 2.90 19.12) = 95.183% kept HB3 ASN 69 - HN TYR 97 14.286% * 4.1262% (0.69 1.0 1.19 0.14) = 4.126% kept QE LYS+ 72 - HN TYR 97 14.286% * 0.4719% (0.72 1.0 0.13 0.02) = 0.472% QE LYS+ 20 - HN TYR 97 14.286% * 0.0997% (0.99 1.0 0.02 0.50) = 0.100% QE LYS+ 11 - HN TYR 97 14.286% * 0.0691% (0.69 1.0 0.02 0.02) = 0.069% HA ARG+ 88 - HN TYR 97 14.286% * 0.0343% (0.34 1.0 0.02 0.02) = 0.034% HE2 LYS+ 60 - HN TYR 97 14.286% * 0.0155% (0.15 1.0 0.02 0.02) = 0.016% Peak 1703 (2.72, 9.41, 127.35 ppm): 4 chemical-shift based assignments, quality = 0.912, support = 2.4, residual support = 18.7: O HB3 TYR 97 - HN TYR 97 25.000% * 97.9999% (0.92 10.0 2.44 19.12) = 98.000% kept QB ASP- 3 - HN TYR 97 25.000% * 1.8798% (0.49 1.0 0.73 0.32) = 1.880% kept HB2 ASN 100 - HN TYR 97 25.000% * 0.0644% (0.61 1.0 0.02 0.02) = 0.064% QB ASP- 78 - HN TYR 97 25.000% * 0.0559% (0.52 1.0 0.02 0.02) = 0.056% Peak 1704 (0.77, 9.41, 127.35 ppm): 5 chemical-shift based assignments, quality = 0.387, support = 3.05, residual support = 5.38: QG2 ILE 96 - HN TYR 97 20.000% * 77.7990% (0.31 3.83 6.88) = 77.799% kept QG2 VAL 71 - HN TYR 97 20.000% * 16.6736% (0.83 0.30 0.02) = 16.674% kept HB2 LEU 76 - HN TYR 97 20.000% * 3.9979% (0.15 0.39 0.69) = 3.998% kept QG2 VAL 61 - HN TYR 97 20.000% * 1.1237% (0.17 0.10 0.02) = 1.124% kept QD1 LEU 43 - HN TYR 97 20.000% * 0.4058% (0.31 0.02 0.02) = 0.406% Peak 1705 (1.59, 9.41, 127.35 ppm): 7 chemical-shift based assignments, quality = 0.564, support = 2.31, residual support = 4.05: HB ILE 96 - HN TYR 97 14.286% * 57.3181% (0.31 3.72 6.88) = 57.318% kept QG LYS+ 80 - HN TYR 97 14.286% * 24.2209% (1.00 0.48 0.13) = 24.221% kept QG ARG+ 90 - HN TYR 97 14.286% * 16.8963% (0.87 0.39 0.47) = 16.896% kept QB LEU 26 - HN TYR 97 14.286% * 0.8667% (0.87 0.02 0.02) = 0.867% HB VAL 94 - HN TYR 97 14.286% * 0.2778% (0.28 0.02 0.02) = 0.278% HG12 ILE 85 - HN TYR 97 14.286% * 0.2225% (0.22 0.02 0.02) = 0.222% HG LEU 43 - HN TYR 97 14.286% * 0.1977% (0.20 0.02 0.02) = 0.198% Peak 1706 (9.42, 7.37, 117.34 ppm): 2 chemical-shift based assignments, quality = 0.819, support = 4.16, residual support = 14.6: HN GLU- 68 - HN ASN 69 50.000% * 84.6696% (0.80 4.78 17.22) = 84.670% kept HN TYR 97 - HN ASN 69 50.000% * 15.3304% (0.92 0.75 0.14) = 15.330% kept Peak 1707 (11.65, 8.55, 119.62 ppm): 1 chemical-shift based assignment, quality = 0.687, support = 0.632, residual support = 0.883: HE1 TRP 50 - HN ASP- 73 100.000% *100.0000% (0.69 0.63 0.88) = 100.000% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peaks: selected : 1151 with diagonal assignment : 104 without assignment possibility : 61 with one assignment possibility : 131 with multiple assignment possibilities : 855 with given assignment possibilities : 0 with unique volume contribution : 195 with multiple volume contributions : 791 eliminated by violation filter : 0 Peaks: selected : 1151 without assignment : 233 with assignment : 918 with unique assignment : 245 with multiple assignment : 673 with reference assignment : 103 with identical reference assignment : 95 with compatible reference assignment : 8 with incompatible reference assignment : 0 with additional reference assignment : 0 with additional assignment : 815 Atoms with eliminated volume contribution > 2.5: HN VAL 7 3.0 HN PHE 9 3.0 HN ILE 14 2.6 HN LYS+ 20 3.0 HN GLU- 23 3.0 HN ASN 29 2.9 HN GLU- 30 2.6 HN PHE 32 9.0 HN ALA 34 4.0 HN PHE 36 5.0 HN ILE 38 3.0 HN LEU 42 2.7 HN LEU 43 3.0 HN ASP- 44 7.0 HN SER 46 4.0 HN SER 49 3.4 HA TRP 50 3.4 HE1 TRP 50 6.0 HN MET 54 3.2 HN LYS+ 60 3.0 HN LEU 63 5.3 HN THR 64 3.0 HN GLY 66 2.6 HN TRP 67 3.0 HD21 ASN 69 3.0 HN PHE 70 4.7 QG2 VAL 71 2.5 HN ASP- 73 3.0 HN ASN 74 4.1 HB2 ASN 75 2.6 HN GLU- 77 5.0 HA ASP- 78 2.6 HN TYR 81 8.0 HA TYR 81 3.9 HN LEU 82 3.0 HE22 GLN 83 3.0 HN PHE 84 2.6 HN TYR 86 4.0 HN ASP- 87 9.3 HN ASP- 89 3.7 HE ARG+ 90 7.3 HN PHE 92 4.0 Peak 1 (4.49, 4.50, 55.97 ppm): 3 diagonal assignments: * HA MET 1 - HA MET 1 (0.91) kept HA LYS+ 60 - HA LYS+ 60 (0.11) kept HA ASN 69 - HA ASN 69 (0.07) kept Peak 2 (2.11, 4.50, 55.97 ppm): 27 chemical-shift based assignments, quality = 0.881, support = 3.55, residual support = 59.3: * O T HB2 MET 1 - HA MET 1 3.704% * 98.4517% (0.89 10.0 10.00 3.60 60.21) = 98.452% kept T HG2 MET 54 - HA MET 1 3.704% * 0.6313% (0.57 1.0 10.00 0.02 0.02) = 0.631% T HB3 MET 101 - HA MET 1 3.704% * 0.1823% (0.17 1.0 10.00 0.02 0.02) = 0.182% T HB2 MET 1 - HA LYS+ 60 3.704% * 0.1172% (0.11 1.0 10.00 0.02 0.02) = 0.117% T HB2 MET 1 - HA ASN 69 3.704% * 0.1001% (0.09 1.0 10.00 0.02 0.02) = 0.100% HB3 PRO 37 - HA MET 1 3.704% * 0.0933% (0.85 1.0 1.00 0.02 0.02) = 0.093% HB2 GLU- 16 - HA MET 1 3.704% * 0.0869% (0.79 1.0 1.00 0.02 0.02) = 0.087% T HG2 MET 54 - HA LYS+ 60 3.704% * 0.0751% (0.07 1.0 10.00 0.02 0.02) = 0.075% T HG2 MET 54 - HA ASN 69 3.704% * 0.0642% (0.06 1.0 10.00 0.02 0.02) = 0.064% QB MET 10 - HA MET 1 3.704% * 0.0355% (0.32 1.0 1.00 0.02 0.02) = 0.036% QB ARG+ 88 - HA MET 1 3.704% * 0.0289% (0.26 1.0 1.00 0.02 0.02) = 0.029% T HB3 MET 101 - HA LYS+ 60 3.704% * 0.0217% (0.02 1.0 10.00 0.02 0.02) = 0.022% T HB3 MET 101 - HA ASN 69 3.704% * 0.0185% (0.02 1.0 10.00 0.02 0.02) = 0.019% HB ILE 85 - HA MET 1 3.704% * 0.0161% (0.15 1.0 1.00 0.02 0.02) = 0.016% HB2 LYS+ 11 - HA MET 1 3.704% * 0.0161% (0.15 1.0 1.00 0.02 0.02) = 0.016% HB3 PRO 37 - HA LYS+ 60 3.704% * 0.0111% (0.10 1.0 1.00 0.02 4.44) = 0.011% HB2 GLU- 16 - HA LYS+ 60 3.704% * 0.0103% (0.09 1.0 1.00 0.02 0.14) = 0.010% HB3 PRO 37 - HA ASN 69 3.704% * 0.0095% (0.09 1.0 1.00 0.02 0.02) = 0.009% HB2 GLU- 16 - HA ASN 69 3.704% * 0.0088% (0.08 1.0 1.00 0.02 0.02) = 0.009% QB MET 10 - HA LYS+ 60 3.704% * 0.0042% (0.04 1.0 1.00 0.02 0.02) = 0.004% QB MET 10 - HA ASN 69 3.704% * 0.0036% (0.03 1.0 1.00 0.02 0.02) = 0.004% QB ARG+ 88 - HA LYS+ 60 3.704% * 0.0034% (0.03 1.0 1.00 0.02 0.02) = 0.003% QB ARG+ 88 - HA ASN 69 3.704% * 0.0029% (0.03 1.0 1.00 0.02 3.18) = 0.003% HB2 LYS+ 11 - HA LYS+ 60 3.704% * 0.0019% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB ILE 85 - HA LYS+ 60 3.704% * 0.0019% (0.02 1.0 1.00 0.02 0.52) = 0.002% HB ILE 85 - HA ASN 69 3.704% * 0.0016% (0.01 1.0 1.00 0.02 0.02) = 0.002% HB2 LYS+ 11 - HA ASN 69 3.704% * 0.0016% (0.01 1.0 1.00 0.02 0.02) = 0.002% Peak 3 (2.01, 4.50, 55.97 ppm): 21 chemical-shift based assignments, quality = 0.882, support = 3.55, residual support = 59.3: * O T HB3 MET 1 - HA MET 1 4.762% * 98.5633% (0.89 10.0 10.00 3.60 60.21) = 98.563% kept T HG3 MET 54 - HA MET 1 4.762% * 0.7963% (0.72 1.0 10.00 0.02 0.02) = 0.796% T HB3 MET 1 - HA LYS+ 60 4.762% * 0.1173% (0.11 1.0 10.00 0.02 0.02) = 0.117% T HB3 MET 1 - HA ASN 69 4.762% * 0.1002% (0.09 1.0 10.00 0.02 0.02) = 0.100% HB2 LYS+ 20 - HA MET 1 4.762% * 0.0962% (0.87 1.0 1.00 0.02 0.02) = 0.096% T HG3 MET 54 - HA LYS+ 60 4.762% * 0.0948% (0.09 1.0 10.00 0.02 0.02) = 0.095% T HG3 MET 54 - HA ASN 69 4.762% * 0.0810% (0.07 1.0 10.00 0.02 0.02) = 0.081% HB2 ARG+ 53 - HA MET 1 4.762% * 0.0507% (0.46 1.0 1.00 0.02 0.02) = 0.051% HG2 PRO 33 - HA MET 1 4.762% * 0.0232% (0.21 1.0 1.00 0.02 0.40) = 0.023% HB VAL 65 - HA MET 1 4.762% * 0.0182% (0.17 1.0 1.00 0.02 0.02) = 0.018% HB VAL 52 - HA MET 1 4.762% * 0.0141% (0.13 1.0 1.00 0.02 0.02) = 0.014% HB2 LYS+ 20 - HA LYS+ 60 4.762% * 0.0114% (0.10 1.0 1.00 0.02 0.02) = 0.011% HB2 LYS+ 20 - HA ASN 69 4.762% * 0.0098% (0.09 1.0 1.00 0.02 0.94) = 0.010% HB2 ARG+ 53 - HA LYS+ 60 4.762% * 0.0060% (0.05 1.0 1.00 0.02 0.02) = 0.006% HB2 ARG+ 53 - HA ASN 69 4.762% * 0.0052% (0.05 1.0 1.00 0.02 0.02) = 0.005% HG2 PRO 33 - HA LYS+ 60 4.762% * 0.0028% (0.03 1.0 1.00 0.02 1.87) = 0.003% HG2 PRO 33 - HA ASN 69 4.762% * 0.0024% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB VAL 65 - HA LYS+ 60 4.762% * 0.0022% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB VAL 65 - HA ASN 69 4.762% * 0.0019% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB VAL 52 - HA LYS+ 60 4.762% * 0.0017% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB VAL 52 - HA ASN 69 4.762% * 0.0014% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 4 (2.61, 4.50, 55.97 ppm): 18 chemical-shift based assignments, quality = 0.862, support = 3.41, residual support = 56.7: * O T HG2 MET 1 - HA MET 1 5.556% * 94.0707% (0.91 10.0 10.00 3.60 60.21) = 94.071% kept T HB3 ASN 100 - HA LYS+ 60 5.556% * 3.3786% (0.11 1.0 10.00 0.62 1.01) = 3.379% kept T HG3 MET 10 - HA MET 1 5.556% * 0.9407% (0.91 1.0 10.00 0.02 0.02) = 0.941% T HB3 ASN 100 - HA MET 1 5.556% * 0.9221% (0.89 1.0 10.00 0.02 0.02) = 0.922% T HG3 MET 10 - HA LYS+ 60 5.556% * 0.1120% (0.11 1.0 10.00 0.02 0.02) = 0.112% T HG2 MET 1 - HA LYS+ 60 5.556% * 0.1120% (0.11 1.0 10.00 0.02 0.02) = 0.112% T HG2 MET 1 - HA ASN 69 5.556% * 0.0957% (0.09 1.0 10.00 0.02 0.02) = 0.096% T HG3 MET 10 - HA ASN 69 5.556% * 0.0957% (0.09 1.0 10.00 0.02 0.02) = 0.096% T HB3 ASN 100 - HA ASN 69 5.556% * 0.0938% (0.09 1.0 10.00 0.02 0.02) = 0.094% HD3 PRO 35 - HA MET 1 5.556% * 0.0670% (0.65 1.0 1.00 0.02 0.02) = 0.067% HA VAL 71 - HA MET 1 5.556% * 0.0552% (0.54 1.0 1.00 0.02 0.02) = 0.055% HB2 ASP- 41 - HA MET 1 5.556% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% HD3 PRO 35 - HA LYS+ 60 5.556% * 0.0080% (0.08 1.0 1.00 0.02 0.02) = 0.008% HD3 PRO 35 - HA ASN 69 5.556% * 0.0068% (0.07 1.0 1.00 0.02 0.02) = 0.007% HA VAL 71 - HA LYS+ 60 5.556% * 0.0066% (0.06 1.0 1.00 0.02 1.81) = 0.007% HA VAL 71 - HA ASN 69 5.556% * 0.0056% (0.05 1.0 1.00 0.02 3.50) = 0.006% HB2 ASP- 41 - HA LYS+ 60 5.556% * 0.0029% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB2 ASP- 41 - HA ASN 69 5.556% * 0.0025% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 5 (2.55, 4.50, 55.97 ppm): 18 chemical-shift based assignments, quality = 0.889, support = 3.58, residual support = 59.8: * O T HG3 MET 1 - HA MET 1 5.556% * 99.3514% (0.89 10.0 10.00 3.60 60.21) = 99.351% kept T HG3 MET 1 - HA LYS+ 60 5.556% * 0.1182% (0.11 1.0 10.00 0.02 0.02) = 0.118% HB3 TYR 81 - HA MET 1 5.556% * 0.1014% (0.91 1.0 1.00 0.02 0.02) = 0.101% T HG3 MET 1 - HA ASN 69 5.556% * 0.1010% (0.09 1.0 10.00 0.02 0.02) = 0.101% HE2 LYS+ 56 - HA MET 1 5.556% * 0.0803% (0.72 1.0 1.00 0.02 0.02) = 0.080% HB3 ASP- 41 - HA MET 1 5.556% * 0.0637% (0.57 1.0 1.00 0.02 0.02) = 0.064% HB3 PHE 13 - HA MET 1 5.556% * 0.0553% (0.50 1.0 1.00 0.02 0.02) = 0.055% HB3 ASN 75 - HA MET 1 5.556% * 0.0511% (0.46 1.0 1.00 0.02 0.02) = 0.051% HB3 TYR 81 - HA LYS+ 60 5.556% * 0.0121% (0.11 1.0 1.00 0.02 0.93) = 0.012% HB3 TYR 81 - HA ASN 69 5.556% * 0.0103% (0.09 1.0 1.00 0.02 0.72) = 0.010% HE2 LYS+ 56 - HA LYS+ 60 5.556% * 0.0096% (0.09 1.0 1.00 0.02 0.02) = 0.010% HE2 LYS+ 56 - HA ASN 69 5.556% * 0.0082% (0.07 1.0 1.00 0.02 0.56) = 0.008% HB3 ASP- 41 - HA LYS+ 60 5.556% * 0.0076% (0.07 1.0 1.00 0.02 0.02) = 0.008% HB3 PHE 13 - HA LYS+ 60 5.556% * 0.0066% (0.06 1.0 1.00 0.02 0.02) = 0.007% HB3 ASP- 41 - HA ASN 69 5.556% * 0.0065% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB3 ASN 75 - HA LYS+ 60 5.556% * 0.0061% (0.05 1.0 1.00 0.02 0.02) = 0.006% HB3 PHE 13 - HA ASN 69 5.556% * 0.0056% (0.05 1.0 1.00 0.02 0.02) = 0.006% HB3 ASN 75 - HA ASN 69 5.556% * 0.0052% (0.05 1.0 1.00 0.02 0.02) = 0.005% Peak 6 (4.49, 2.12, 32.80 ppm): 24 chemical-shift based assignments, quality = 0.779, support = 2.8, residual support = 42.6: * O T HA MET 1 - HB2 MET 1 4.167% * 70.2868% (0.93 10.0 10.00 3.60 60.21) = 70.287% kept T HA ASN 100 - HB3 MET 101 4.167% * 17.1645% (0.33 1.0 10.00 1.40 1.17) = 17.165% kept T HA ASN 74 - HB2 MET 1 4.167% * 9.3035% (0.74 1.0 10.00 0.33 0.30) = 9.303% kept T HA LYS+ 60 - HB2 MET 1 4.167% * 0.6890% (0.91 1.0 10.00 0.02 0.02) = 0.689% T HA ASN 69 - HB2 MET 1 4.167% * 0.5289% (0.70 1.0 10.00 0.02 0.02) = 0.529% T HA ASN 100 - HB2 MET 1 4.167% * 0.5289% (0.70 1.0 10.00 0.02 0.02) = 0.529% T HA MET 1 - HB3 MET 101 4.167% * 0.3265% (0.43 1.0 10.00 0.02 0.02) = 0.327% T HA LYS+ 60 - HB3 MET 101 4.167% * 0.3201% (0.42 1.0 10.00 0.02 0.02) = 0.320% T HA ASN 74 - HB3 MET 101 4.167% * 0.2586% (0.34 1.0 10.00 0.02 0.02) = 0.259% T HA ASN 69 - HB3 MET 101 4.167% * 0.2457% (0.33 1.0 10.00 0.02 0.02) = 0.246% HA VAL 7 - HB2 MET 1 4.167% * 0.0727% (0.96 1.0 1.00 0.02 0.02) = 0.073% T HA MET 1 - HG2 MET 54 4.167% * 0.0550% (0.07 1.0 10.00 0.02 0.02) = 0.055% T HA LYS+ 60 - HG2 MET 54 4.167% * 0.0539% (0.07 1.0 10.00 0.02 0.02) = 0.054% T HA ASN 69 - HG2 MET 54 4.167% * 0.0414% (0.05 1.0 10.00 0.02 0.02) = 0.041% HA VAL 7 - HB3 MET 101 4.167% * 0.0338% (0.45 1.0 1.00 0.02 0.02) = 0.034% HB2 SER 18 - HB2 MET 1 4.167% * 0.0273% (0.36 1.0 1.00 0.02 0.02) = 0.027% HA VAL 61 - HB2 MET 1 4.167% * 0.0225% (0.30 1.0 1.00 0.02 0.02) = 0.022% HB2 SER 18 - HB3 MET 101 4.167% * 0.0127% (0.17 1.0 1.00 0.02 0.02) = 0.013% HA VAL 61 - HB3 MET 101 4.167% * 0.0104% (0.14 1.0 1.00 0.02 0.02) = 0.010% HA VAL 7 - HG2 MET 54 4.167% * 0.0057% (0.08 1.0 1.00 0.02 0.02) = 0.006% HA ASN 74 - HG2 MET 54 4.167% * 0.0044% (0.06 1.0 1.00 0.02 2.81) = 0.004% HA ASN 100 - HG2 MET 54 4.167% * 0.0041% (0.05 1.0 1.00 0.02 0.02) = 0.004% HB2 SER 18 - HG2 MET 54 4.167% * 0.0021% (0.03 1.0 1.00 0.02 0.12) = 0.002% HA VAL 61 - HG2 MET 54 4.167% * 0.0018% (0.02 1.0 1.00 0.02 8.90) = 0.002% Peak 7 (2.11, 2.12, 32.80 ppm): 3 diagonal assignments: * HB2 MET 1 - HB2 MET 1 (0.91) kept HB3 MET 101 - HB3 MET 101 (0.08) kept HG2 MET 54 - HG2 MET 54 (0.05) kept Peak 8 (2.01, 2.12, 32.80 ppm): 21 chemical-shift based assignments, quality = 0.818, support = 2.84, residual support = 55.7: * O T HB3 MET 1 - HB2 MET 1 4.762% * 86.9085% (0.91 10.0 10.00 3.00 60.21) = 86.909% kept T HG3 MET 54 - HB3 MET 101 4.762% * 6.1521% (0.34 1.0 10.00 0.38 0.02) = 6.152% kept O T HG3 MET 54 - HG2 MET 54 4.762% * 5.4902% (0.06 10.0 10.00 3.88 61.01) = 5.490% kept T HG3 MET 54 - HB2 MET 1 4.762% * 0.7021% (0.74 1.0 10.00 0.02 0.02) = 0.702% T HB3 MET 1 - HB3 MET 101 4.762% * 0.4037% (0.42 1.0 10.00 0.02 0.02) = 0.404% HB2 LYS+ 20 - HB2 MET 1 4.762% * 0.0848% (0.89 1.0 1.00 0.02 0.02) = 0.085% T HB3 MET 1 - HG2 MET 54 4.762% * 0.0680% (0.07 1.0 10.00 0.02 0.02) = 0.068% HB2 ARG+ 53 - HB2 MET 1 4.762% * 0.0447% (0.47 1.0 1.00 0.02 0.02) = 0.045% HB2 LYS+ 20 - HB3 MET 101 4.762% * 0.0394% (0.41 1.0 1.00 0.02 0.02) = 0.039% HB2 ARG+ 53 - HB3 MET 101 4.762% * 0.0208% (0.22 1.0 1.00 0.02 0.35) = 0.021% HG2 PRO 33 - HB2 MET 1 4.762% * 0.0205% (0.21 1.0 1.00 0.02 0.40) = 0.020% HB VAL 65 - HB2 MET 1 4.762% * 0.0161% (0.17 1.0 1.00 0.02 0.02) = 0.016% HB VAL 52 - HB2 MET 1 4.762% * 0.0124% (0.13 1.0 1.00 0.02 0.02) = 0.012% HG2 PRO 33 - HB3 MET 101 4.762% * 0.0095% (0.10 1.0 1.00 0.02 1.94) = 0.010% HB VAL 65 - HB3 MET 101 4.762% * 0.0075% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB2 LYS+ 20 - HG2 MET 54 4.762% * 0.0066% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB VAL 52 - HB3 MET 101 4.762% * 0.0058% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB2 ARG+ 53 - HG2 MET 54 4.762% * 0.0035% (0.04 1.0 1.00 0.02 19.87) = 0.003% HG2 PRO 33 - HG2 MET 54 4.762% * 0.0016% (0.02 1.0 1.00 0.02 11.25) = 0.002% HB VAL 65 - HG2 MET 54 4.762% * 0.0013% (0.01 1.0 1.00 0.02 0.39) = 0.001% HB VAL 52 - HG2 MET 54 4.762% * 0.0010% (0.01 1.0 1.00 0.02 2.15) = 0.001% Peak 9 (2.61, 2.12, 32.80 ppm): 18 chemical-shift based assignments, quality = 0.913, support = 2.62, residual support = 51.8: * O T HG2 MET 1 - HB2 MET 1 5.556% * 86.0102% (0.93 10.0 10.00 3.00 60.21) = 86.010% kept T HG3 MET 10 - HB2 MET 1 5.556% * 11.4703% (0.93 1.0 10.00 0.27 0.02) = 11.470% kept HB3 ASN 100 - HB3 MET 101 5.556% * 1.2884% (0.42 1.0 1.00 0.66 1.17) = 1.288% kept T HG3 MET 10 - HB3 MET 101 5.556% * 0.3996% (0.43 1.0 10.00 0.02 0.02) = 0.400% T HG2 MET 1 - HB3 MET 101 5.556% * 0.3996% (0.43 1.0 10.00 0.02 0.02) = 0.400% HB3 ASN 100 - HB2 MET 1 5.556% * 0.0843% (0.91 1.0 1.00 0.02 0.02) = 0.084% T HG2 MET 1 - HG2 MET 54 5.556% * 0.0673% (0.07 1.0 10.00 0.02 0.02) = 0.067% T HG3 MET 10 - HG2 MET 54 5.556% * 0.0673% (0.07 1.0 10.00 0.02 0.26) = 0.067% HD3 PRO 35 - HB2 MET 1 5.556% * 0.0612% (0.66 1.0 1.00 0.02 0.02) = 0.061% HA VAL 71 - HB2 MET 1 5.556% * 0.0505% (0.55 1.0 1.00 0.02 0.02) = 0.050% HD3 PRO 35 - HB3 MET 101 5.556% * 0.0284% (0.31 1.0 1.00 0.02 0.02) = 0.028% HA VAL 71 - HB3 MET 101 5.556% * 0.0234% (0.25 1.0 1.00 0.02 0.02) = 0.023% HB2 ASP- 41 - HB2 MET 1 5.556% * 0.0222% (0.24 1.0 1.00 0.02 0.02) = 0.022% HB2 ASP- 41 - HB3 MET 101 5.556% * 0.0103% (0.11 1.0 1.00 0.02 0.02) = 0.010% HB3 ASN 100 - HG2 MET 54 5.556% * 0.0066% (0.07 1.0 1.00 0.02 0.02) = 0.007% HD3 PRO 35 - HG2 MET 54 5.556% * 0.0048% (0.05 1.0 1.00 0.02 3.89) = 0.005% HA VAL 71 - HG2 MET 54 5.556% * 0.0039% (0.04 1.0 1.00 0.02 1.04) = 0.004% HB2 ASP- 41 - HG2 MET 54 5.556% * 0.0017% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 10 (2.55, 2.12, 32.80 ppm): 18 chemical-shift based assignments, quality = 0.903, support = 2.97, residual support = 59.6: * O T HG3 MET 1 - HB2 MET 1 5.556% * 98.9228% (0.91 10.0 10.00 3.00 60.21) = 98.923% kept T HG3 MET 1 - HB3 MET 101 5.556% * 0.4596% (0.42 1.0 10.00 0.02 0.02) = 0.460% HB3 TYR 81 - HB2 MET 1 5.556% * 0.1009% (0.93 1.0 1.00 0.02 0.02) = 0.101% HE2 LYS+ 56 - HB2 MET 1 5.556% * 0.0799% (0.74 1.0 1.00 0.02 0.02) = 0.080% T HG3 MET 1 - HG2 MET 54 5.556% * 0.0774% (0.07 1.0 10.00 0.02 0.02) = 0.077% HB3 ASP- 41 - HB2 MET 1 5.556% * 0.0634% (0.59 1.0 1.00 0.02 0.02) = 0.063% HB3 PHE 13 - HB2 MET 1 5.556% * 0.0550% (0.51 1.0 1.00 0.02 0.02) = 0.055% HB3 ASN 75 - HB2 MET 1 5.556% * 0.0509% (0.47 1.0 1.00 0.02 0.02) = 0.051% HB3 TYR 81 - HB3 MET 101 5.556% * 0.0469% (0.43 1.0 1.00 0.02 0.02) = 0.047% HE2 LYS+ 56 - HB3 MET 101 5.556% * 0.0371% (0.34 1.0 1.00 0.02 0.02) = 0.037% HB3 ASP- 41 - HB3 MET 101 5.556% * 0.0295% (0.27 1.0 1.00 0.02 0.02) = 0.029% HB3 PHE 13 - HB3 MET 101 5.556% * 0.0256% (0.24 1.0 1.00 0.02 0.02) = 0.026% HB3 ASN 75 - HB3 MET 101 5.556% * 0.0236% (0.22 1.0 1.00 0.02 0.02) = 0.024% HB3 TYR 81 - HG2 MET 54 5.556% * 0.0079% (0.07 1.0 1.00 0.02 0.02) = 0.008% HE2 LYS+ 56 - HG2 MET 54 5.556% * 0.0062% (0.06 1.0 1.00 0.02 1.61) = 0.006% HB3 ASP- 41 - HG2 MET 54 5.556% * 0.0050% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB3 PHE 13 - HG2 MET 54 5.556% * 0.0043% (0.04 1.0 1.00 0.02 0.84) = 0.004% HB3 ASN 75 - HG2 MET 54 5.556% * 0.0040% (0.04 1.0 1.00 0.02 0.18) = 0.004% Peak 11 (4.49, 2.02, 32.80 ppm): 16 chemical-shift based assignments, quality = 0.892, support = 3.45, residual support = 57.7: * O T HA MET 1 - HB3 MET 1 6.250% * 95.7960% (0.93 10.0 10.00 3.60 60.21) = 95.796% kept T HA LYS+ 60 - HB3 MET 1 6.250% * 0.9390% (0.91 1.0 10.00 0.02 0.02) = 0.939% HA VAL 7 - HG3 MET 54 6.250% * 0.9035% (0.27 1.0 1.00 0.65 0.02) = 0.903% T HA ASN 69 - HB3 MET 1 6.250% * 0.7208% (0.70 1.0 10.00 0.02 0.02) = 0.721% HA VAL 61 - HB3 MET 1 6.250% * 0.5666% (0.30 1.0 1.00 0.37 0.02) = 0.567% T HA MET 1 - HG3 MET 54 6.250% * 0.2670% (0.26 1.0 10.00 0.02 0.02) = 0.267% T HA LYS+ 60 - HG3 MET 54 6.250% * 0.2617% (0.25 1.0 10.00 0.02 0.02) = 0.262% T HA ASN 69 - HG3 MET 54 6.250% * 0.2009% (0.20 1.0 10.00 0.02 0.02) = 0.201% HA VAL 7 - HB3 MET 1 6.250% * 0.0990% (0.96 1.0 1.00 0.02 0.02) = 0.099% HA ASN 74 - HB3 MET 1 6.250% * 0.0759% (0.74 1.0 1.00 0.02 0.30) = 0.076% HA ASN 100 - HB3 MET 1 6.250% * 0.0721% (0.70 1.0 1.00 0.02 0.02) = 0.072% HB2 SER 18 - HB3 MET 1 6.250% * 0.0373% (0.36 1.0 1.00 0.02 0.02) = 0.037% HA ASN 74 - HG3 MET 54 6.250% * 0.0211% (0.21 1.0 1.00 0.02 2.81) = 0.021% HA ASN 100 - HG3 MET 54 6.250% * 0.0201% (0.20 1.0 1.00 0.02 0.02) = 0.020% HB2 SER 18 - HG3 MET 54 6.250% * 0.0104% (0.10 1.0 1.00 0.02 0.12) = 0.010% HA VAL 61 - HG3 MET 54 6.250% * 0.0085% (0.08 1.0 1.00 0.02 8.90) = 0.009% Peak 12 (2.11, 2.02, 32.80 ppm): 18 chemical-shift based assignments, quality = 0.791, support = 3.05, residual support = 58.6: * O T HB2 MET 1 - HB3 MET 1 5.556% * 82.4430% (0.91 10.0 10.00 3.00 60.21) = 82.443% kept O T HG2 MET 54 - HG3 MET 54 5.556% * 14.7349% (0.16 10.0 10.00 3.88 61.01) = 14.735% kept HB3 PRO 37 - HB3 MET 1 5.556% * 1.6502% (0.87 1.0 1.00 0.42 0.02) = 1.650% kept T HG2 MET 54 - HB3 MET 1 5.556% * 0.5286% (0.59 1.0 10.00 0.02 0.02) = 0.529% T HB2 MET 1 - HG3 MET 54 5.556% * 0.2298% (0.25 1.0 10.00 0.02 0.02) = 0.230% T HB3 MET 101 - HB3 MET 1 5.556% * 0.1526% (0.17 1.0 10.00 0.02 0.02) = 0.153% HB2 GLU- 16 - HB3 MET 1 5.556% * 0.0728% (0.81 1.0 1.00 0.02 0.02) = 0.073% T HB3 MET 101 - HG3 MET 54 5.556% * 0.0425% (0.05 1.0 10.00 0.02 0.02) = 0.043% QB MET 10 - HB3 MET 1 5.556% * 0.0297% (0.33 1.0 1.00 0.02 0.02) = 0.030% QB ARG+ 88 - HB3 MET 1 5.556% * 0.0242% (0.27 1.0 1.00 0.02 0.02) = 0.024% HB3 PRO 37 - HG3 MET 54 5.556% * 0.0218% (0.24 1.0 1.00 0.02 0.02) = 0.022% HB2 GLU- 16 - HG3 MET 54 5.556% * 0.0203% (0.22 1.0 1.00 0.02 1.53) = 0.020% HB ILE 85 - HB3 MET 1 5.556% * 0.0134% (0.15 1.0 1.00 0.02 0.02) = 0.013% HB2 LYS+ 11 - HB3 MET 1 5.556% * 0.0134% (0.15 1.0 1.00 0.02 0.02) = 0.013% QB MET 10 - HG3 MET 54 5.556% * 0.0083% (0.09 1.0 1.00 0.02 0.26) = 0.008% QB ARG+ 88 - HG3 MET 54 5.556% * 0.0068% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB2 LYS+ 11 - HG3 MET 54 5.556% * 0.0037% (0.04 1.0 1.00 0.02 0.11) = 0.004% HB ILE 85 - HG3 MET 54 5.556% * 0.0037% (0.04 1.0 1.00 0.02 0.49) = 0.004% Peak 13 (2.01, 2.02, 32.80 ppm): 2 diagonal assignments: * HB3 MET 1 - HB3 MET 1 (0.91) kept HG3 MET 54 - HG3 MET 54 (0.21) kept Peak 14 (2.61, 2.02, 32.80 ppm): 12 chemical-shift based assignments, quality = 0.845, support = 2.73, residual support = 53.7: * O T HG2 MET 1 - HB3 MET 1 8.333% * 88.7179% (0.93 10.0 10.00 3.00 60.21) = 88.718% kept T HD3 PRO 35 - HG3 MET 54 8.333% * 7.4712% (0.18 1.0 10.00 0.85 3.89) = 7.471% kept T HG3 MET 10 - HG3 MET 54 8.333% * 1.8379% (0.26 1.0 10.00 0.15 0.26) = 1.838% kept T HG3 MET 10 - HB3 MET 1 8.333% * 0.8872% (0.93 1.0 10.00 0.02 0.02) = 0.887% T HD3 PRO 35 - HB3 MET 1 8.333% * 0.6315% (0.66 1.0 10.00 0.02 0.02) = 0.631% T HG2 MET 1 - HG3 MET 54 8.333% * 0.2473% (0.26 1.0 10.00 0.02 0.02) = 0.247% HB3 ASN 100 - HB3 MET 1 8.333% * 0.0870% (0.91 1.0 1.00 0.02 0.02) = 0.087% HA VAL 71 - HB3 MET 1 8.333% * 0.0520% (0.55 1.0 1.00 0.02 0.02) = 0.052% HB3 ASN 100 - HG3 MET 54 8.333% * 0.0242% (0.25 1.0 1.00 0.02 0.02) = 0.024% HB2 ASP- 41 - HB3 MET 1 8.333% * 0.0229% (0.24 1.0 1.00 0.02 0.02) = 0.023% HA VAL 71 - HG3 MET 54 8.333% * 0.0145% (0.15 1.0 1.00 0.02 1.04) = 0.015% HB2 ASP- 41 - HG3 MET 54 8.333% * 0.0064% (0.07 1.0 1.00 0.02 0.02) = 0.006% Peak 15 (2.55, 2.02, 32.80 ppm): 12 chemical-shift based assignments, quality = 0.876, support = 2.9, residual support = 57.5: * O T HG3 MET 1 - HB3 MET 1 8.333% * 95.3959% (0.91 10.0 10.00 3.00 60.21) = 95.396% kept HE2 LYS+ 56 - HG3 MET 54 8.333% * 1.2948% (0.21 1.0 1.00 1.21 1.61) = 1.295% kept HB3 ASP- 41 - HG3 MET 54 8.333% * 1.2523% (0.16 1.0 1.00 1.47 0.02) = 1.252% kept HB3 TYR 81 - HG3 MET 54 8.333% * 0.6169% (0.26 1.0 1.00 0.45 0.02) = 0.617% HB3 PHE 13 - HG3 MET 54 8.333% * 0.6045% (0.14 1.0 1.00 0.82 0.84) = 0.604% T HG3 MET 1 - HG3 MET 54 8.333% * 0.2659% (0.25 1.0 10.00 0.02 0.02) = 0.266% HB3 ASP- 41 - HB3 MET 1 8.333% * 0.2343% (0.59 1.0 1.00 0.08 0.02) = 0.234% HB3 TYR 81 - HB3 MET 1 8.333% * 0.0973% (0.93 1.0 1.00 0.02 0.02) = 0.097% HE2 LYS+ 56 - HB3 MET 1 8.333% * 0.0771% (0.74 1.0 1.00 0.02 0.02) = 0.077% HB3 ASN 75 - HG3 MET 54 8.333% * 0.0589% (0.13 1.0 1.00 0.09 0.18) = 0.059% HB3 PHE 13 - HB3 MET 1 8.333% * 0.0531% (0.51 1.0 1.00 0.02 0.02) = 0.053% HB3 ASN 75 - HB3 MET 1 8.333% * 0.0491% (0.47 1.0 1.00 0.02 0.02) = 0.049% Peak 16 (4.49, 2.62, 32.46 ppm): 16 chemical-shift based assignments, quality = 0.806, support = 2.71, residual support = 43.8: * O T HA MET 1 - HG2 MET 1 6.250% * 71.6513% (0.91 10.0 10.00 3.60 60.21) = 71.651% kept T HA ASN 74 - HG3 MET 10 6.250% * 12.8582% (0.52 1.0 10.00 0.63 4.79) = 12.858% kept T HA ASN 74 - HG2 MET 1 6.250% * 11.6889% (0.72 1.0 10.00 0.41 0.30) = 11.689% kept T HA LYS+ 60 - HG2 MET 1 6.250% * 0.7023% (0.89 1.0 10.00 0.02 0.02) = 0.702% T HA ASN 69 - HG2 MET 1 6.250% * 0.5391% (0.69 1.0 10.00 0.02 0.02) = 0.539% T HA ASN 100 - HG2 MET 1 6.250% * 0.5391% (0.69 1.0 10.00 0.02 0.02) = 0.539% T HA MET 1 - HG3 MET 10 6.250% * 0.5182% (0.66 1.0 10.00 0.02 0.02) = 0.518% T HA LYS+ 60 - HG3 MET 10 6.250% * 0.5079% (0.65 1.0 10.00 0.02 0.02) = 0.508% T HA ASN 69 - HG3 MET 10 6.250% * 0.3899% (0.50 1.0 10.00 0.02 0.02) = 0.390% T HA ASN 100 - HG3 MET 10 6.250% * 0.3899% (0.50 1.0 10.00 0.02 0.02) = 0.390% HA VAL 7 - HG2 MET 1 6.250% * 0.0741% (0.94 1.0 1.00 0.02 0.02) = 0.074% HA VAL 7 - HG3 MET 10 6.250% * 0.0536% (0.68 1.0 1.00 0.02 0.02) = 0.054% HB2 SER 18 - HG2 MET 1 6.250% * 0.0279% (0.36 1.0 1.00 0.02 0.02) = 0.028% HA VAL 61 - HG2 MET 1 6.250% * 0.0229% (0.29 1.0 1.00 0.02 0.02) = 0.023% HB2 SER 18 - HG3 MET 10 6.250% * 0.0202% (0.26 1.0 1.00 0.02 0.02) = 0.020% HA VAL 61 - HG3 MET 10 6.250% * 0.0166% (0.21 1.0 1.00 0.02 0.02) = 0.017% Peak 17 (2.11, 2.62, 32.46 ppm): 18 chemical-shift based assignments, quality = 0.708, support = 3.18, residual support = 55.4: * O T HB2 MET 1 - HG2 MET 1 5.556% * 71.9348% (0.89 10.0 10.00 3.00 60.21) = 71.935% kept O T QB MET 10 - HG3 MET 10 5.556% * 18.7597% (0.23 10.0 10.00 4.99 62.24) = 18.760% kept T QB MET 10 - HG2 MET 1 5.556% * 5.8286% (0.32 1.0 10.00 0.45 0.02) = 5.829% kept HB2 LYS+ 11 - HG3 MET 10 5.556% * 1.6371% (0.11 1.0 1.00 3.86 23.30) = 1.637% kept T HB2 MET 1 - HG3 MET 10 5.556% * 0.5202% (0.65 1.0 10.00 0.02 0.02) = 0.520% T HG2 MET 54 - HG2 MET 1 5.556% * 0.4612% (0.57 1.0 10.00 0.02 0.02) = 0.461% T HG2 MET 54 - HG3 MET 10 5.556% * 0.3336% (0.41 1.0 10.00 0.02 0.26) = 0.334% T HB3 MET 101 - HG2 MET 1 5.556% * 0.1332% (0.17 1.0 10.00 0.02 0.02) = 0.133% T HB3 MET 101 - HG3 MET 10 5.556% * 0.0963% (0.12 1.0 10.00 0.02 0.02) = 0.096% HB3 PRO 37 - HG2 MET 1 5.556% * 0.0682% (0.85 1.0 1.00 0.02 0.02) = 0.068% HB2 GLU- 16 - HG2 MET 1 5.556% * 0.0635% (0.79 1.0 1.00 0.02 0.02) = 0.064% HB3 PRO 37 - HG3 MET 10 5.556% * 0.0493% (0.61 1.0 1.00 0.02 0.02) = 0.049% HB2 GLU- 16 - HG3 MET 10 5.556% * 0.0459% (0.57 1.0 1.00 0.02 0.02) = 0.046% QB ARG+ 88 - HG2 MET 1 5.556% * 0.0211% (0.26 1.0 1.00 0.02 0.02) = 0.021% QB ARG+ 88 - HG3 MET 10 5.556% * 0.0153% (0.19 1.0 1.00 0.02 0.02) = 0.015% HB ILE 85 - HG2 MET 1 5.556% * 0.0117% (0.15 1.0 1.00 0.02 0.02) = 0.012% HB2 LYS+ 11 - HG2 MET 1 5.556% * 0.0117% (0.15 1.0 1.00 0.02 0.02) = 0.012% HB ILE 85 - HG3 MET 10 5.556% * 0.0085% (0.11 1.0 1.00 0.02 0.02) = 0.008% Peak 18 (2.01, 2.62, 32.46 ppm): 14 chemical-shift based assignments, quality = 0.869, support = 2.91, residual support = 58.5: * O T HB3 MET 1 - HG2 MET 1 7.143% * 97.1559% (0.89 10.0 10.00 3.00 60.21) = 97.156% kept T HG3 MET 54 - HG2 MET 1 7.143% * 0.7849% (0.72 1.0 10.00 0.02 0.02) = 0.785% T HB3 MET 1 - HG3 MET 10 7.143% * 0.7026% (0.65 1.0 10.00 0.02 0.02) = 0.703% T HG3 MET 54 - HG3 MET 10 7.143% * 0.5677% (0.52 1.0 10.00 0.02 0.26) = 0.568% HG2 PRO 33 - HG2 MET 1 7.143% * 0.4679% (0.21 1.0 1.00 0.41 0.40) = 0.468% HB2 LYS+ 20 - HG2 MET 1 7.143% * 0.0948% (0.87 1.0 1.00 0.02 0.02) = 0.095% HB2 LYS+ 20 - HG3 MET 10 7.143% * 0.0686% (0.63 1.0 1.00 0.02 0.02) = 0.069% HB2 ARG+ 53 - HG2 MET 1 7.143% * 0.0500% (0.46 1.0 1.00 0.02 0.02) = 0.050% HB2 ARG+ 53 - HG3 MET 10 7.143% * 0.0362% (0.33 1.0 1.00 0.02 0.02) = 0.036% HB VAL 65 - HG2 MET 1 7.143% * 0.0180% (0.17 1.0 1.00 0.02 0.02) = 0.018% HG2 PRO 33 - HG3 MET 10 7.143% * 0.0165% (0.15 1.0 1.00 0.02 0.02) = 0.017% HB VAL 52 - HG2 MET 1 7.143% * 0.0139% (0.13 1.0 1.00 0.02 0.02) = 0.014% HB VAL 65 - HG3 MET 10 7.143% * 0.0130% (0.12 1.0 1.00 0.02 0.02) = 0.013% HB VAL 52 - HG3 MET 10 7.143% * 0.0101% (0.09 1.0 1.00 0.02 0.02) = 0.010% Peak 19 (2.61, 2.62, 32.46 ppm): 2 diagonal assignments: * HG2 MET 1 - HG2 MET 1 (0.91) kept HG3 MET 10 - HG3 MET 10 (0.66) kept Peak 20 (2.55, 2.62, 32.46 ppm): 12 chemical-shift based assignments, quality = 0.878, support = 2.94, residual support = 59.1: * O T HG3 MET 1 - HG2 MET 1 8.333% * 98.1489% (0.89 10.0 10.00 3.00 60.21) = 98.149% kept T HG3 MET 1 - HG3 MET 10 8.333% * 0.7098% (0.65 1.0 10.00 0.02 0.02) = 0.710% HB3 ASN 75 - HG2 MET 1 8.333% * 0.5931% (0.46 1.0 1.00 0.23 0.02) = 0.593% HB3 TYR 81 - HG2 MET 1 8.333% * 0.1001% (0.91 1.0 1.00 0.02 0.02) = 0.100% HE2 LYS+ 56 - HG2 MET 1 8.333% * 0.0793% (0.72 1.0 1.00 0.02 0.02) = 0.079% HB3 TYR 81 - HG3 MET 10 8.333% * 0.0724% (0.66 1.0 1.00 0.02 0.13) = 0.072% HB3 ASP- 41 - HG2 MET 1 8.333% * 0.0629% (0.57 1.0 1.00 0.02 0.02) = 0.063% HE2 LYS+ 56 - HG3 MET 10 8.333% * 0.0573% (0.52 1.0 1.00 0.02 3.71) = 0.057% HB3 PHE 13 - HG2 MET 1 8.333% * 0.0546% (0.50 1.0 1.00 0.02 0.02) = 0.055% HB3 ASP- 41 - HG3 MET 10 8.333% * 0.0455% (0.41 1.0 1.00 0.02 0.02) = 0.046% HB3 PHE 13 - HG3 MET 10 8.333% * 0.0395% (0.36 1.0 1.00 0.02 0.02) = 0.039% HB3 ASN 75 - HG3 MET 10 8.333% * 0.0365% (0.33 1.0 1.00 0.02 0.02) = 0.037% Peak 21 (4.49, 2.56, 32.46 ppm): 8 chemical-shift based assignments, quality = 0.913, support = 3.53, residual support = 59.0: * O T HA MET 1 - HG3 MET 1 12.500% * 97.9803% (0.93 10.0 10.00 3.60 60.21) = 97.980% kept T HA LYS+ 60 - HG3 MET 1 12.500% * 0.9604% (0.91 1.0 10.00 0.02 0.02) = 0.960% T HA ASN 69 - HG3 MET 1 12.500% * 0.7372% (0.70 1.0 10.00 0.02 0.02) = 0.737% HA VAL 7 - HG3 MET 1 12.500% * 0.1013% (0.96 1.0 1.00 0.02 0.02) = 0.101% HA ASN 74 - HG3 MET 1 12.500% * 0.0776% (0.74 1.0 1.00 0.02 0.30) = 0.078% HA ASN 100 - HG3 MET 1 12.500% * 0.0737% (0.70 1.0 1.00 0.02 0.02) = 0.074% HB2 SER 18 - HG3 MET 1 12.500% * 0.0381% (0.36 1.0 1.00 0.02 0.02) = 0.038% HA VAL 61 - HG3 MET 1 12.500% * 0.0313% (0.30 1.0 1.00 0.02 0.02) = 0.031% Peak 22 (2.11, 2.56, 32.46 ppm): 9 chemical-shift based assignments, quality = 0.903, support = 2.97, residual support = 59.6: * O T HB2 MET 1 - HG3 MET 1 11.111% * 98.9046% (0.91 10.0 10.00 3.00 60.21) = 98.905% kept T HG2 MET 54 - HG3 MET 1 11.111% * 0.6342% (0.59 1.0 10.00 0.02 0.02) = 0.634% T HB3 MET 101 - HG3 MET 1 11.111% * 0.1831% (0.17 1.0 10.00 0.02 0.02) = 0.183% HB3 PRO 37 - HG3 MET 1 11.111% * 0.0938% (0.87 1.0 1.00 0.02 0.02) = 0.094% HB2 GLU- 16 - HG3 MET 1 11.111% * 0.0873% (0.81 1.0 1.00 0.02 0.02) = 0.087% QB MET 10 - HG3 MET 1 11.111% * 0.0357% (0.33 1.0 1.00 0.02 0.02) = 0.036% QB ARG+ 88 - HG3 MET 1 11.111% * 0.0291% (0.27 1.0 1.00 0.02 0.02) = 0.029% HB2 LYS+ 11 - HG3 MET 1 11.111% * 0.0161% (0.15 1.0 1.00 0.02 0.02) = 0.016% HB ILE 85 - HG3 MET 1 11.111% * 0.0161% (0.15 1.0 1.00 0.02 0.02) = 0.016% Peak 23 (2.01, 2.56, 32.46 ppm): 7 chemical-shift based assignments, quality = 0.84, support = 2.77, residual support = 54.2: * O T HB3 MET 1 - HG3 MET 1 14.286% * 90.0015% (0.91 10.0 10.00 3.00 60.21) = 90.002% kept T HG2 PRO 33 - HG3 MET 1 14.286% * 8.6909% (0.21 1.0 10.00 0.82 0.40) = 8.691% kept T HG3 MET 54 - HG3 MET 1 14.286% * 0.7271% (0.74 1.0 10.00 0.02 0.02) = 0.727% T HB2 ARG+ 53 - HG3 MET 1 14.286% * 0.4631% (0.47 1.0 10.00 0.02 0.02) = 0.463% HB2 LYS+ 20 - HG3 MET 1 14.286% * 0.0878% (0.89 1.0 1.00 0.02 0.02) = 0.088% HB VAL 65 - HG3 MET 1 14.286% * 0.0167% (0.17 1.0 1.00 0.02 0.02) = 0.017% HB VAL 52 - HG3 MET 1 14.286% * 0.0129% (0.13 1.0 1.00 0.02 0.02) = 0.013% Peak 24 (2.61, 2.56, 32.46 ppm): 6 chemical-shift based assignments, quality = 0.914, support = 2.94, residual support = 59.1: * O T HG2 MET 1 - HG3 MET 1 16.667% * 98.1409% (0.93 10.0 10.00 3.00 60.21) = 98.141% kept T HG3 MET 10 - HG3 MET 1 16.667% * 0.9814% (0.93 1.0 10.00 0.02 0.02) = 0.981% T HD3 PRO 35 - HG3 MET 1 16.667% * 0.6985% (0.66 1.0 10.00 0.02 0.02) = 0.699% HB3 ASN 100 - HG3 MET 1 16.667% * 0.0962% (0.91 1.0 1.00 0.02 0.02) = 0.096% HA VAL 71 - HG3 MET 1 16.667% * 0.0576% (0.55 1.0 1.00 0.02 0.02) = 0.058% HB2 ASP- 41 - HG3 MET 1 16.667% * 0.0254% (0.24 1.0 1.00 0.02 0.02) = 0.025% Peak 25 (2.55, 2.56, 32.46 ppm): 1 diagonal assignment: * HG3 MET 1 - HG3 MET 1 (0.91) kept Peak 26 (4.31, 4.32, 52.93 ppm): 1 diagonal assignment: * HA ALA 2 - HA ALA 2 (0.90) kept Peak 27 (1.39, 4.32, 52.93 ppm): 5 chemical-shift based assignments, quality = 0.903, support = 2.14, residual support = 11.4: * O T QB ALA 2 - HA ALA 2 20.000% * 99.8082% (0.90 10.0 10.00 2.14 11.47) = 99.808% kept HG2 ARG+ 88 - HA ALA 2 20.000% * 0.0656% (0.59 1.0 1.00 0.02 0.02) = 0.066% HB3 LYS+ 60 - HA ALA 2 20.000% * 0.0569% (0.52 1.0 1.00 0.02 0.02) = 0.057% HG2 LYS+ 17 - HA ALA 2 20.000% * 0.0526% (0.48 1.0 1.00 0.02 0.02) = 0.053% QG LYS+ 55 - HA ALA 2 20.000% * 0.0167% (0.15 1.0 1.00 0.02 0.02) = 0.017% Peak 28 (4.31, 1.40, 19.30 ppm): 5 chemical-shift based assignments, quality = 0.889, support = 2.13, residual support = 11.2: * O T HA ALA 2 - QB ALA 2 20.000% * 97.7854% (0.90 10.0 10.00 2.14 11.47) = 97.785% kept HB THR 4 - QB ALA 2 20.000% * 2.0297% (0.22 1.0 1.00 1.72 1.39) = 2.030% kept HA PHE 28 - QB ALA 2 20.000% * 0.0978% (0.90 1.0 1.00 0.02 0.02) = 0.098% HA PRO 12 - QB ALA 2 20.000% * 0.0435% (0.40 1.0 1.00 0.02 0.02) = 0.044% HA ASP- 73 - QB ALA 2 20.000% * 0.0435% (0.40 1.0 1.00 0.02 0.02) = 0.044% Peak 29 (1.39, 1.40, 19.30 ppm): 1 diagonal assignment: * QB ALA 2 - QB ALA 2 (0.90) kept Peak 30 (4.65, 4.66, 54.70 ppm): 1 diagonal assignment: * HA ASP- 3 - HA ASP- 3 (0.91) kept Peak 31 (2.70, 4.66, 54.70 ppm): 2 chemical-shift based assignments, quality = 0.87, support = 1.87, residual support = 7.16: * O T QB ASP- 3 - HA ASP- 3 50.000% * 94.2627% (0.91 10.0 10.00 1.95 7.57) = 94.263% kept T HB3 TYR 97 - HA ASP- 3 50.000% * 5.7373% (0.17 1.0 10.00 0.67 0.32) = 5.737% kept Peak 32 (4.65, 2.71, 41.69 ppm): 3 chemical-shift based assignments, quality = 0.912, support = 1.95, residual support = 7.56: * O T HA ASP- 3 - QB ASP- 3 33.333% * 99.8538% (0.91 10.0 10.00 1.95 7.57) = 99.854% kept HA GLU- 77 - QB ASP- 3 33.333% * 0.0999% (0.91 1.0 1.00 0.02 0.02) = 0.100% HA ILE 96 - QB ASP- 3 33.333% * 0.0464% (0.42 1.0 1.00 0.02 13.32) = 0.046% Peak 33 (2.70, 2.71, 41.69 ppm): 1 diagonal assignment: * QB ASP- 3 - QB ASP- 3 (0.91) kept Peak 34 (4.34, 4.35, 61.61 ppm): 1 diagonal assignment: * HA THR 4 - HA THR 4 (0.90) kept Peak 35 (4.33, 4.35, 61.61 ppm): 1 diagonal assignment: HA THR 4 - HA THR 4 (0.75) kept Reference assignment not found: HB THR 4 - HA THR 4 Peak 36 (1.19, 4.35, 61.61 ppm): 7 chemical-shift based assignments, quality = 0.857, support = 2.75, residual support = 20.3: * O T QG2 THR 4 - HA THR 4 14.286% * 92.0403% (0.88 10.0 10.00 2.96 21.94) = 92.040% kept T QE MET 54 - HA THR 4 14.286% * 3.8675% (0.48 1.0 10.00 0.15 3.06) = 3.868% kept HD3 LYS+ 56 - HA THR 4 14.286% * 3.1259% (0.95 1.0 1.00 0.63 0.02) = 3.126% kept T QG2 THR 39 - HA THR 4 14.286% * 0.8902% (0.85 1.0 10.00 0.02 0.02) = 0.890% HG3 GLU- 23 - HA THR 4 14.286% * 0.0317% (0.30 1.0 1.00 0.02 0.02) = 0.032% HB3 LEU 43 - HA THR 4 14.286% * 0.0285% (0.27 1.0 1.00 0.02 0.02) = 0.029% HG3 ARG+ 48 - HA THR 4 14.286% * 0.0158% (0.15 1.0 1.00 0.02 0.02) = 0.016% Peak 37 (4.34, 4.34, 28.59 ppm): 1 diagonal assignment: HB THR 4 - HB THR 4 (0.98) kept Reference assignment not found: HA THR 4 - HB THR 4 Peak 38 (4.33, 4.34, 28.59 ppm): 1 diagonal assignment: * HB THR 4 - HB THR 4 (0.90) kept Peak 39 (1.19, 4.34, 28.59 ppm): 7 chemical-shift based assignments, quality = 0.843, support = 2.67, residual support = 19.8: * O T QG2 THR 4 - HB THR 4 14.286% * 89.4298% (0.88 10.0 10.00 2.95 21.94) = 89.430% kept T QE MET 54 - HB THR 4 14.286% * 7.2648% (0.48 1.0 10.00 0.30 3.06) = 7.265% kept HD3 LYS+ 56 - HB THR 4 14.286% * 2.3666% (0.95 1.0 1.00 0.49 0.02) = 2.367% kept T QG2 THR 39 - HB THR 4 14.286% * 0.8650% (0.85 1.0 10.00 0.02 0.02) = 0.865% HG3 GLU- 23 - HB THR 4 14.286% * 0.0308% (0.30 1.0 1.00 0.02 0.02) = 0.031% HB3 LEU 43 - HB THR 4 14.286% * 0.0277% (0.27 1.0 1.00 0.02 0.02) = 0.028% HG3 ARG+ 48 - HB THR 4 14.286% * 0.0154% (0.15 1.0 1.00 0.02 0.02) = 0.015% Peak 40 (4.34, 1.20, 63.23 ppm): 12 chemical-shift based assignments, quality = 0.933, support = 2.97, residual support = 22.6: O T HB THR 4 - QG2 THR 4 8.333% * 50.6041% (0.99 10.0 10.00 2.95 21.94) = 50.604% kept * O T HA THR 4 - QG2 THR 4 8.333% * 46.8174% (0.91 10.0 10.00 2.96 21.94) = 46.817% kept HA ILE 38 - QG2 THR 39 8.333% * 2.1639% (0.21 1.0 1.00 4.12 58.11) = 2.164% kept T HB THR 4 - QG2 THR 39 8.333% * 0.1372% (0.27 1.0 10.00 0.02 0.02) = 0.137% T HA THR 4 - QG2 THR 39 8.333% * 0.1269% (0.25 1.0 10.00 0.02 0.02) = 0.127% HA ASP- 73 - QG2 THR 4 8.333% * 0.0480% (0.94 1.0 1.00 0.02 0.02) = 0.048% HA ILE 38 - QG2 THR 4 8.333% * 0.0388% (0.76 1.0 1.00 0.02 0.02) = 0.039% HA ALA 2 - QG2 THR 4 8.333% * 0.0227% (0.44 1.0 1.00 0.02 1.39) = 0.023% HA ILE 14 - QG2 THR 4 8.333% * 0.0173% (0.34 1.0 1.00 0.02 0.02) = 0.017% HA ASP- 73 - QG2 THR 39 8.333% * 0.0130% (0.25 1.0 1.00 0.02 0.02) = 0.013% HA ALA 2 - QG2 THR 39 8.333% * 0.0062% (0.12 1.0 1.00 0.02 0.16) = 0.006% HA ILE 14 - QG2 THR 39 8.333% * 0.0047% (0.09 1.0 1.00 0.02 0.02) = 0.005% Peak 41 (4.33, 1.20, 63.23 ppm): 14 chemical-shift based assignments, quality = 0.827, support = 2.96, residual support = 22.5: * O T HB THR 4 - QG2 THR 4 7.143% * 53.4607% (0.91 10.0 10.00 2.95 21.94) = 53.461% kept O T HA THR 4 - QG2 THR 4 7.143% * 44.2590% (0.76 10.0 10.00 2.96 21.94) = 44.259% kept HA ILE 38 - QG2 THR 39 7.143% * 1.8305% (0.15 1.0 1.00 4.12 58.11) = 1.831% kept T HB THR 4 - QG2 THR 39 7.143% * 0.1449% (0.25 1.0 10.00 0.02 0.02) = 0.145% T HA THR 4 - QG2 THR 39 7.143% * 0.1200% (0.21 1.0 10.00 0.02 0.02) = 0.120% HA ASP- 73 - QG2 THR 4 7.143% * 0.0579% (0.99 1.0 1.00 0.02 0.02) = 0.058% HA ALA 2 - QG2 THR 4 7.143% * 0.0375% (0.64 1.0 1.00 0.02 1.39) = 0.037% HA ILE 38 - QG2 THR 4 7.143% * 0.0328% (0.56 1.0 1.00 0.02 0.02) = 0.033% HA ASP- 73 - QG2 THR 39 7.143% * 0.0157% (0.27 1.0 1.00 0.02 0.02) = 0.016% HA PHE 28 - QG2 THR 4 7.143% * 0.0129% (0.22 1.0 1.00 0.02 0.02) = 0.013% HA ILE 14 - QG2 THR 4 7.143% * 0.0115% (0.20 1.0 1.00 0.02 0.02) = 0.011% HA ALA 2 - QG2 THR 39 7.143% * 0.0102% (0.17 1.0 1.00 0.02 0.16) = 0.010% HA PHE 28 - QG2 THR 39 7.143% * 0.0035% (0.06 1.0 1.00 0.02 0.02) = 0.003% HA ILE 14 - QG2 THR 39 7.143% * 0.0031% (0.05 1.0 1.00 0.02 0.02) = 0.003% Peak 42 (1.19, 1.20, 63.23 ppm): 2 diagonal assignments: * QG2 THR 4 - QG2 THR 4 (0.89) kept QG2 THR 39 - QG2 THR 39 (0.23) kept Peak 43 (3.92, 3.93, 45.50 ppm): 1 diagonal assignment: * HA2 GLY 5 - HA2 GLY 5 (0.89) kept Peak 44 (4.44, 4.45, 57.17 ppm): 1 diagonal assignment: * HA GLU- 6 - HA GLU- 6 (0.90) kept Peak 45 (1.93, 4.45, 57.17 ppm): 8 chemical-shift based assignments, quality = 0.895, support = 3.19, residual support = 33.4: * O T QB GLU- 6 - HA GLU- 6 12.500% * 97.8372% (0.90 10.0 10.00 3.26 34.17) = 97.837% kept HB VAL 71 - HA GLU- 6 12.500% * 1.0953% (0.88 1.0 1.00 0.23 0.02) = 1.095% kept T HB3 TYR 31 - HA GLU- 6 12.500% * 0.7280% (0.67 1.0 10.00 0.02 0.02) = 0.728% HB2 LYS+ 60 - HA GLU- 6 12.500% * 0.1003% (0.93 1.0 1.00 0.02 0.02) = 0.100% HB3 GLU- 16 - HA GLU- 6 12.500% * 0.1003% (0.93 1.0 1.00 0.02 0.02) = 0.100% QG PRO 37 - HA GLU- 6 12.500% * 0.0728% (0.67 1.0 1.00 0.02 0.02) = 0.073% HB3 ARG+ 53 - HA GLU- 6 12.500% * 0.0398% (0.37 1.0 1.00 0.02 0.02) = 0.040% HB2 LYS+ 17 - HA GLU- 6 12.500% * 0.0264% (0.24 1.0 1.00 0.02 0.02) = 0.026% Peak 46 (2.20, 4.45, 57.17 ppm): 8 chemical-shift based assignments, quality = 0.904, support = 2.9, residual support = 32.8: * O T QG GLU- 6 - HA GLU- 6 12.500% * 95.9360% (0.90 10.0 10.00 3.00 34.17) = 95.936% kept QB GLU- 68 - HA GLU- 6 12.500% * 3.6536% (0.97 1.0 1.00 0.71 0.02) = 3.654% kept HB2 LEU 42 - HA GLU- 6 12.500% * 0.1039% (0.98 1.0 1.00 0.02 0.02) = 0.104% HB2 GLU- 77 - HA GLU- 6 12.500% * 0.0932% (0.88 1.0 1.00 0.02 0.02) = 0.093% HB2 MET 101 - HA GLU- 6 12.500% * 0.0868% (0.82 1.0 1.00 0.02 0.02) = 0.087% QG GLU- 77 - HA GLU- 6 12.500% * 0.0714% (0.67 1.0 1.00 0.02 0.02) = 0.071% HB2 PHE 84 - HA GLU- 6 12.500% * 0.0390% (0.37 1.0 1.00 0.02 0.02) = 0.039% HB2 LEU 82 - HA GLU- 6 12.500% * 0.0160% (0.15 1.0 1.00 0.02 0.12) = 0.016% Peak 47 (4.44, 1.93, 30.93 ppm): 5 chemical-shift based assignments, quality = 0.899, support = 3.24, residual support = 34.0: * O T HA GLU- 6 - QB GLU- 6 20.000% * 99.3680% (0.90 10.0 10.00 3.26 34.17) = 99.368% kept T HA TYR 31 - QB GLU- 6 20.000% * 0.3322% (0.30 1.0 10.00 0.02 0.02) = 0.332% HA TRP 67 - QB GLU- 6 20.000% * 0.1039% (0.95 1.0 1.00 0.02 0.14) = 0.104% HA1 GLY 98 - QB GLU- 6 20.000% * 0.0994% (0.90 1.0 1.00 0.02 0.02) = 0.099% HB THR 64 - QB GLU- 6 20.000% * 0.0965% (0.88 1.0 1.00 0.02 0.17) = 0.097% Peak 48 (1.93, 1.93, 30.93 ppm): 1 diagonal assignment: * QB GLU- 6 - QB GLU- 6 (0.90) kept Peak 49 (2.20, 1.93, 30.93 ppm): 8 chemical-shift based assignments, quality = 0.888, support = 3.16, residual support = 33.1: * O T QG GLU- 6 - QB GLU- 6 12.500% * 96.9410% (0.90 10.0 10.00 3.26 34.17) = 96.941% kept QB GLU- 68 - QB GLU- 6 12.500% * 1.1475% (0.97 1.0 1.00 0.22 0.02) = 1.147% kept T HB2 GLU- 77 - QB GLU- 6 12.500% * 0.9418% (0.88 1.0 10.00 0.02 0.02) = 0.942% T QG GLU- 77 - QB GLU- 6 12.500% * 0.7214% (0.67 1.0 10.00 0.02 0.02) = 0.721% HB2 LEU 42 - QB GLU- 6 12.500% * 0.1050% (0.98 1.0 1.00 0.02 0.02) = 0.105% HB2 MET 101 - QB GLU- 6 12.500% * 0.0877% (0.82 1.0 1.00 0.02 0.02) = 0.088% HB2 PHE 84 - QB GLU- 6 12.500% * 0.0394% (0.37 1.0 1.00 0.02 0.02) = 0.039% HB2 LEU 82 - QB GLU- 6 12.500% * 0.0162% (0.15 1.0 1.00 0.02 0.12) = 0.016% Peak 50 (4.44, 2.21, 36.69 ppm): 5 chemical-shift based assignments, quality = 0.902, support = 2.99, residual support = 34.1: * O T HA GLU- 6 - QG GLU- 6 20.000% * 99.6660% (0.90 10.0 10.00 3.00 34.17) = 99.666% kept HA TRP 67 - QG GLU- 6 20.000% * 0.1042% (0.95 1.0 1.00 0.02 0.14) = 0.104% HA1 GLY 98 - QG GLU- 6 20.000% * 0.0997% (0.90 1.0 1.00 0.02 0.02) = 0.100% HB THR 64 - QG GLU- 6 20.000% * 0.0968% (0.88 1.0 1.00 0.02 0.17) = 0.097% HA TYR 31 - QG GLU- 6 20.000% * 0.0333% (0.30 1.0 1.00 0.02 0.02) = 0.033% Peak 51 (1.93, 2.21, 36.69 ppm): 8 chemical-shift based assignments, quality = 0.9, support = 3.24, residual support = 34.0: * O T QB GLU- 6 - QG GLU- 6 12.500% * 99.4841% (0.90 10.0 10.00 3.26 34.17) = 99.484% kept HB2 LYS+ 60 - QG GLU- 6 12.500% * 0.1019% (0.93 1.0 1.00 0.02 0.02) = 0.102% HB3 GLU- 16 - QG GLU- 6 12.500% * 0.1019% (0.93 1.0 1.00 0.02 0.02) = 0.102% HB VAL 71 - QG GLU- 6 12.500% * 0.0967% (0.88 1.0 1.00 0.02 0.02) = 0.097% QG PRO 37 - QG GLU- 6 12.500% * 0.0740% (0.67 1.0 1.00 0.02 0.02) = 0.074% HB3 TYR 31 - QG GLU- 6 12.500% * 0.0740% (0.67 1.0 1.00 0.02 0.02) = 0.074% HB3 ARG+ 53 - QG GLU- 6 12.500% * 0.0404% (0.37 1.0 1.00 0.02 0.02) = 0.040% HB2 LYS+ 17 - QG GLU- 6 12.500% * 0.0269% (0.24 1.0 1.00 0.02 0.02) = 0.027% Peak 52 (2.20, 2.21, 36.69 ppm): 1 diagonal assignment: * QG GLU- 6 - QG GLU- 6 (0.90) kept Peak 53 (4.49, 4.50, 60.59 ppm): 1 diagonal assignment: * HA VAL 7 - HA VAL 7 (0.90) kept Peak 54 (1.89, 4.50, 60.59 ppm): 9 chemical-shift based assignments, quality = 0.89, support = 3.93, residual support = 78.5: * O T HB VAL 7 - HA VAL 7 11.111% * 98.3534% (0.90 10.0 10.00 4.00 79.82) = 98.353% kept T QB LYS+ 80 - HA VAL 7 11.111% * 0.9555% (0.88 1.0 10.00 0.02 0.11) = 0.956% QB PHE 70 - HA VAL 7 11.111% * 0.4084% (0.98 1.0 1.00 0.08 4.11) = 0.408% HB3 GLU- 59 - HA VAL 7 11.111% * 0.0956% (0.88 1.0 1.00 0.02 0.02) = 0.096% HB2 LYS+ 17 - HA VAL 7 11.111% * 0.0646% (0.59 1.0 1.00 0.02 0.02) = 0.065% QB LYS+ 72 - HA VAL 7 11.111% * 0.0438% (0.40 1.0 1.00 0.02 0.10) = 0.044% QB MET 54 - HA VAL 7 11.111% * 0.0363% (0.33 1.0 1.00 0.02 0.02) = 0.036% HB3 LYS+ 11 - HA VAL 7 11.111% * 0.0237% (0.22 1.0 1.00 0.02 0.02) = 0.024% HB3 PRO 33 - HA VAL 7 11.111% * 0.0187% (0.17 1.0 1.00 0.02 0.02) = 0.019% Peak 55 (0.31, 4.50, 60.59 ppm): 3 chemical-shift based assignments, quality = 0.879, support = 4.53, residual support = 79.8: * O T QG1 VAL 7 - HA VAL 7 33.333% * 99.9444% (0.88 10.0 10.00 4.54 79.82) = 99.944% kept QG1 VAL 71 - HA VAL 7 33.333% * 0.0278% (0.24 1.0 1.00 0.02 0.59) = 0.028% QD1 LEU 63 - HA VAL 7 33.333% * 0.0278% (0.24 1.0 1.00 0.02 0.61) = 0.028% Peak 56 (0.50, 4.50, 60.59 ppm): 1 chemical-shift based assignment, quality = 0.879, support = 4.52, residual support = 79.8: * O T QG2 VAL 7 - HA VAL 7 100.000% *100.0000% (0.88 10.0 10.00 4.52 79.82) = 100.000% kept Peak 57 (4.49, 1.89, 34.23 ppm): 18 chemical-shift based assignments, quality = 0.891, support = 3.88, residual support = 77.3: * O T HA VAL 7 - HB VAL 7 5.556% * 96.8419% (0.90 10.0 10.00 4.00 79.82) = 96.842% kept HA ASN 69 - HB VAL 7 5.556% * 1.7159% (0.88 1.0 1.00 0.36 0.02) = 1.716% kept T HA VAL 7 - QB LYS+ 80 5.556% * 0.6028% (0.56 1.0 10.00 0.02 0.11) = 0.603% HA LYS+ 60 - HB VAL 7 5.556% * 0.1049% (0.98 1.0 1.00 0.02 0.02) = 0.105% HA ASN 74 - HB VAL 7 5.556% * 0.0968% (0.90 1.0 1.00 0.02 2.94) = 0.097% HA ASN 100 - HB VAL 7 5.556% * 0.0941% (0.88 1.0 1.00 0.02 0.02) = 0.094% HA MET 1 - HB VAL 7 5.556% * 0.0876% (0.82 1.0 1.00 0.02 0.02) = 0.088% HA LYS+ 60 - QB LYS+ 80 5.556% * 0.0653% (0.61 1.0 1.00 0.02 0.16) = 0.065% HA ASN 74 - QB LYS+ 80 5.556% * 0.0603% (0.56 1.0 1.00 0.02 0.02) = 0.060% HA ASN 69 - QB LYS+ 80 5.556% * 0.0586% (0.55 1.0 1.00 0.02 0.02) = 0.059% HA ASN 100 - QB LYS+ 80 5.556% * 0.0586% (0.55 1.0 1.00 0.02 0.02) = 0.059% HA MET 1 - QB LYS+ 80 5.556% * 0.0545% (0.51 1.0 1.00 0.02 0.02) = 0.055% HA VAL 61 - HB VAL 7 5.556% * 0.0511% (0.48 1.0 1.00 0.02 0.02) = 0.051% HA VAL 61 - QB LYS+ 80 5.556% * 0.0318% (0.30 1.0 1.00 0.02 7.87) = 0.032% HA TYR 31 - HB VAL 7 5.556% * 0.0234% (0.22 1.0 1.00 0.02 1.50) = 0.023% HB2 SER 18 - HB VAL 7 5.556% * 0.0234% (0.22 1.0 1.00 0.02 0.02) = 0.023% HB2 SER 18 - QB LYS+ 80 5.556% * 0.0145% (0.14 1.0 1.00 0.02 0.02) = 0.015% HA TYR 31 - QB LYS+ 80 5.556% * 0.0145% (0.14 1.0 1.00 0.02 0.02) = 0.015% Peak 58 (1.89, 1.89, 34.23 ppm): 2 diagonal assignments: * HB VAL 7 - HB VAL 7 (0.90) kept QB LYS+ 80 - QB LYS+ 80 (0.55) kept Peak 59 (0.31, 1.89, 34.23 ppm): 6 chemical-shift based assignments, quality = 0.864, support = 4.37, residual support = 76.8: * O T QG1 VAL 7 - HB VAL 7 16.667% * 96.2168% (0.88 10.0 10.00 4.54 79.82) = 96.217% kept T QG1 VAL 7 - QB LYS+ 80 16.667% * 3.3058% (0.55 1.0 10.00 0.11 0.11) = 3.306% kept T QG1 VAL 71 - HB VAL 7 16.667% * 0.2675% (0.24 1.0 10.00 0.02 0.59) = 0.268% T QG1 VAL 71 - QB LYS+ 80 16.667% * 0.1665% (0.15 1.0 10.00 0.02 0.02) = 0.167% QD1 LEU 63 - HB VAL 7 16.667% * 0.0268% (0.24 1.0 1.00 0.02 0.61) = 0.027% QD1 LEU 63 - QB LYS+ 80 16.667% * 0.0167% (0.15 1.0 1.00 0.02 0.02) = 0.017% Peak 60 (0.50, 1.89, 34.23 ppm): 2 chemical-shift based assignments, quality = 0.845, support = 4.09, residual support = 71.5: * O T QG2 VAL 7 - HB VAL 7 50.000% * 89.6153% (0.88 10.0 10.00 4.52 79.82) = 89.615% kept T QG2 VAL 7 - QB LYS+ 80 50.000% * 10.3847% (0.55 1.0 10.00 0.37 0.11) = 10.385% kept Peak 61 (4.49, 0.32, 63.55 ppm): 9 chemical-shift based assignments, quality = 0.902, support = 4.05, residual support = 68.3: * O T HA VAL 7 - QG1 VAL 7 11.111% * 85.3148% (0.91 10.0 10.00 4.54 79.82) = 85.315% kept HA ASN 69 - QG1 VAL 7 11.111% * 5.9805% (0.89 1.0 1.00 1.44 0.02) = 5.980% kept HA ASN 74 - QG1 VAL 7 11.111% * 5.3663% (0.91 1.0 1.00 1.26 2.94) = 5.366% kept HA VAL 61 - QG1 VAL 7 11.111% * 2.0184% (0.48 1.0 1.00 0.90 0.02) = 2.018% kept HA MET 1 - QG1 VAL 7 11.111% * 1.1036% (0.83 1.0 1.00 0.29 0.02) = 1.104% kept HA LYS+ 60 - QG1 VAL 7 11.111% * 0.0924% (0.99 1.0 1.00 0.02 0.02) = 0.092% HA ASN 100 - QG1 VAL 7 11.111% * 0.0829% (0.89 1.0 1.00 0.02 0.02) = 0.083% HB2 SER 18 - QG1 VAL 7 11.111% * 0.0206% (0.22 1.0 1.00 0.02 0.02) = 0.021% HA TYR 31 - QG1 VAL 7 11.111% * 0.0206% (0.22 1.0 1.00 0.02 1.50) = 0.021% Peak 62 (1.89, 0.32, 63.55 ppm): 9 chemical-shift based assignments, quality = 0.912, support = 4.04, residual support = 67.4: * O T HB VAL 7 - QG1 VAL 7 11.111% * 83.9723% (0.91 10.0 10.00 4.54 79.82) = 83.972% kept QB PHE 70 - QG1 VAL 7 11.111% * 9.9009% (0.99 1.0 1.00 2.18 4.11) = 9.901% kept T QB LYS+ 80 - QG1 VAL 7 11.111% * 4.5026% (0.89 1.0 10.00 0.11 0.11) = 4.503% kept QB LYS+ 72 - QG1 VAL 7 11.111% * 1.4202% (0.41 1.0 1.00 0.76 0.10) = 1.420% kept HB3 GLU- 59 - QG1 VAL 7 11.111% * 0.0816% (0.89 1.0 1.00 0.02 0.02) = 0.082% HB2 LYS+ 17 - QG1 VAL 7 11.111% * 0.0552% (0.60 1.0 1.00 0.02 0.02) = 0.055% QB MET 54 - QG1 VAL 7 11.111% * 0.0310% (0.34 1.0 1.00 0.02 0.02) = 0.031% HB3 LYS+ 11 - QG1 VAL 7 11.111% * 0.0203% (0.22 1.0 1.00 0.02 0.02) = 0.020% HB3 PRO 33 - QG1 VAL 7 11.111% * 0.0159% (0.17 1.0 1.00 0.02 0.02) = 0.016% Peak 63 (0.31, 0.32, 63.55 ppm): 1 diagonal assignment: * QG1 VAL 7 - QG1 VAL 7 (0.89) kept Peak 64 (0.50, 0.32, 63.55 ppm): 1 chemical-shift based assignment, quality = 0.889, support = 5.49, residual support = 79.8: * O T QG2 VAL 7 - QG1 VAL 7 100.000% *100.0000% (0.89 10.0 10.00 5.49 79.82) = 100.000% kept Peak 65 (4.49, 0.51, 60.97 ppm): 9 chemical-shift based assignments, quality = 0.91, support = 4.25, residual support = 73.6: * O T HA VAL 7 - QG2 VAL 7 11.111% * 91.9787% (0.91 10.0 10.00 4.52 79.82) = 91.979% kept HA ASN 74 - QG2 VAL 7 11.111% * 6.4326% (0.91 1.0 1.00 1.40 2.94) = 6.433% kept HA MET 1 - QG2 VAL 7 11.111% * 1.2175% (0.83 1.0 1.00 0.29 0.02) = 1.217% kept HA LYS+ 60 - QG2 VAL 7 11.111% * 0.0996% (0.99 1.0 1.00 0.02 0.02) = 0.100% HA ASN 69 - QG2 VAL 7 11.111% * 0.0894% (0.89 1.0 1.00 0.02 0.02) = 0.089% HA ASN 100 - QG2 VAL 7 11.111% * 0.0894% (0.89 1.0 1.00 0.02 0.02) = 0.089% HA VAL 61 - QG2 VAL 7 11.111% * 0.0485% (0.48 1.0 1.00 0.02 0.02) = 0.048% HA TYR 31 - QG2 VAL 7 11.111% * 0.0222% (0.22 1.0 1.00 0.02 1.50) = 0.022% HB2 SER 18 - QG2 VAL 7 11.111% * 0.0222% (0.22 1.0 1.00 0.02 0.02) = 0.022% Peak 66 (1.89, 0.51, 60.97 ppm): 9 chemical-shift based assignments, quality = 0.897, support = 3.83, residual support = 66.6: * O T HB VAL 7 - QG2 VAL 7 11.111% * 83.4217% (0.91 10.0 10.00 4.52 79.82) = 83.422% kept T QB LYS+ 80 - QG2 VAL 7 11.111% * 15.0869% (0.89 1.0 10.00 0.37 0.11) = 15.087% kept HB2 LYS+ 17 - QG2 VAL 7 11.111% * 0.9600% (0.60 1.0 1.00 0.35 0.02) = 0.960% QB PHE 70 - QG2 VAL 7 11.111% * 0.3464% (0.99 1.0 1.00 0.08 4.11) = 0.346% HB3 GLU- 59 - QG2 VAL 7 11.111% * 0.0810% (0.89 1.0 1.00 0.02 0.02) = 0.081% QB LYS+ 72 - QG2 VAL 7 11.111% * 0.0372% (0.41 1.0 1.00 0.02 0.10) = 0.037% QB MET 54 - QG2 VAL 7 11.111% * 0.0308% (0.34 1.0 1.00 0.02 0.02) = 0.031% HB3 LYS+ 11 - QG2 VAL 7 11.111% * 0.0201% (0.22 1.0 1.00 0.02 0.02) = 0.020% HB3 PRO 33 - QG2 VAL 7 11.111% * 0.0158% (0.17 1.0 1.00 0.02 0.02) = 0.016% Peak 67 (0.31, 0.51, 60.97 ppm): 3 chemical-shift based assignments, quality = 0.888, support = 5.49, residual support = 79.8: * O T QG1 VAL 7 - QG2 VAL 7 33.333% * 99.9444% (0.89 10.0 10.00 5.49 79.82) = 99.944% kept QG1 VAL 71 - QG2 VAL 7 33.333% * 0.0278% (0.25 1.0 1.00 0.02 0.59) = 0.028% QD1 LEU 63 - QG2 VAL 7 33.333% * 0.0278% (0.25 1.0 1.00 0.02 0.61) = 0.028% Peak 68 (0.50, 0.51, 60.97 ppm): 1 diagonal assignment: * QG2 VAL 7 - QG2 VAL 7 (0.89) kept Peak 69 (6.22, 6.23, 54.04 ppm): 1 diagonal assignment: * HA GLN 8 - HA GLN 8 (0.90) kept Peak 70 (2.40, 6.23, 54.04 ppm): 4 chemical-shift based assignments, quality = 0.889, support = 3.54, residual support = 78.9: * O T HB2 GLN 8 - HA GLN 8 25.000% * 93.5160% (0.90 10.0 10.00 3.71 84.04) = 93.516% kept HE3 LYS+ 56 - HA GLN 8 25.000% * 4.3341% (0.67 1.0 1.00 1.25 5.25) = 4.334% kept HG3 GLU- 68 - HA GLN 8 25.000% * 2.0495% (0.67 1.0 1.00 0.59 4.95) = 2.050% kept HB3 ASP- 89 - HA GLN 8 25.000% * 0.1004% (0.97 1.0 1.00 0.02 0.02) = 0.100% Peak 71 (2.25, 6.23, 54.04 ppm): 3 chemical-shift based assignments, quality = 0.901, support = 3.89, residual support = 83.7: * O T HB3 GLN 8 - HA GLN 8 33.333% * 99.5355% (0.90 10.0 10.00 3.91 84.04) = 99.535% kept T HG2 GLN 83 - HA GLN 8 33.333% * 0.3678% (0.33 1.0 10.00 0.02 0.02) = 0.368% HB2 PRO 25 - HA GLN 8 33.333% * 0.0967% (0.88 1.0 1.00 0.02 0.58) = 0.097% Peak 72 (2.15, 6.23, 54.04 ppm): 7 chemical-shift based assignments, quality = 0.896, support = 3.77, residual support = 76.7: * O T QG GLN 8 - HA GLN 8 14.286% * 90.7590% (0.90 10.0 10.00 4.04 84.04) = 90.759% kept HB ILE 85 - HA GLN 8 14.286% * 6.6276% (0.85 1.0 1.00 1.55 5.78) = 6.628% kept QB MET 10 - HA GLN 8 14.286% * 1.3759% (0.59 1.0 1.00 0.46 0.19) = 1.376% kept HB2 ASN 74 - HA GLN 8 14.286% * 1.0801% (0.90 1.0 1.00 0.24 0.02) = 1.080% kept HB3 MET 101 - HA GLN 8 14.286% * 0.0821% (0.82 1.0 1.00 0.02 0.02) = 0.082% HB2 GLU- 59 - HA GLN 8 14.286% * 0.0479% (0.48 1.0 1.00 0.02 0.02) = 0.048% HB2 LEU 82 - HA GLN 8 14.286% * 0.0273% (0.27 1.0 1.00 0.02 0.65) = 0.027% Peak 73 (6.22, 2.40, 32.92 ppm): 1 chemical-shift based assignment, quality = 0.905, support = 3.71, residual support = 84.0: * O T HA GLN 8 - HB2 GLN 8 100.000% *100.0000% (0.90 10.0 10.00 3.71 84.04) = 100.000% kept Peak 74 (2.40, 2.40, 32.92 ppm): 1 diagonal assignment: * HB2 GLN 8 - HB2 GLN 8 (0.90) kept Peak 75 (2.25, 2.40, 32.92 ppm): 3 chemical-shift based assignments, quality = 0.896, support = 3.91, residual support = 82.8: * O T HB3 GLN 8 - HB2 GLN 8 33.333% * 98.5094% (0.90 10.0 10.00 3.97 84.04) = 98.509% kept T HG2 GLN 83 - HB2 GLN 8 33.333% * 1.3949% (0.33 1.0 10.00 0.08 0.02) = 1.395% kept HB2 PRO 25 - HB2 GLN 8 33.333% * 0.0957% (0.88 1.0 1.00 0.02 0.58) = 0.096% Peak 76 (2.15, 2.40, 32.92 ppm): 7 chemical-shift based assignments, quality = 0.901, support = 4.37, residual support = 78.8: * O T QG GLN 8 - HB2 GLN 8 14.286% * 93.4560% (0.90 10.0 10.00 4.63 84.04) = 93.456% kept HB ILE 85 - HB2 GLN 8 14.286% * 3.7008% (0.85 1.0 1.00 0.84 5.78) = 3.701% kept HB2 ASN 74 - HB2 GLN 8 14.286% * 2.6198% (0.90 1.0 1.00 0.56 0.02) = 2.620% kept HB3 MET 101 - HB2 GLN 8 14.286% * 0.0846% (0.82 1.0 1.00 0.02 0.02) = 0.085% QB MET 10 - HB2 GLN 8 14.286% * 0.0614% (0.59 1.0 1.00 0.02 0.19) = 0.061% HB2 GLU- 59 - HB2 GLN 8 14.286% * 0.0493% (0.48 1.0 1.00 0.02 0.02) = 0.049% HB2 LEU 82 - HB2 GLN 8 14.286% * 0.0281% (0.27 1.0 1.00 0.02 0.65) = 0.028% Peak 77 (6.22, 2.26, 32.92 ppm): 2 chemical-shift based assignments, quality = 0.904, support = 3.9, residual support = 84.0: * O T HA GLN 8 - HB3 GLN 8 50.000% * 99.9024% (0.90 10.0 10.00 3.91 84.04) = 99.902% kept T HA GLN 8 - HG2 GLN 83 50.000% * 0.0976% (0.09 1.0 10.00 0.02 0.02) = 0.098% Peak 78 (2.40, 2.26, 32.92 ppm): 8 chemical-shift based assignments, quality = 0.891, support = 3.8, residual support = 79.9: * O T HB2 GLN 8 - HB3 GLN 8 12.500% * 94.8117% (0.90 10.0 10.00 3.97 84.04) = 94.812% kept HE3 LYS+ 56 - HB3 GLN 8 12.500% * 2.5506% (0.67 1.0 1.00 0.72 5.25) = 2.551% kept HG3 GLU- 68 - HB3 GLN 8 12.500% * 2.4195% (0.67 1.0 1.00 0.69 4.95) = 2.420% kept HB3 ASP- 89 - HB3 GLN 8 12.500% * 0.1018% (0.97 1.0 1.00 0.02 0.02) = 0.102% T HB2 GLN 8 - HG2 GLN 83 12.500% * 0.0926% (0.09 1.0 10.00 0.02 0.02) = 0.093% HB3 ASP- 89 - HG2 GLN 83 12.500% * 0.0099% (0.09 1.0 1.00 0.02 0.70) = 0.010% HE3 LYS+ 56 - HG2 GLN 83 12.500% * 0.0069% (0.07 1.0 1.00 0.02 0.11) = 0.007% HG3 GLU- 68 - HG2 GLN 83 12.500% * 0.0069% (0.07 1.0 1.00 0.02 0.02) = 0.007% Peak 79 (2.25, 2.26, 32.92 ppm): 2 diagonal assignments: * HB3 GLN 8 - HB3 GLN 8 (0.90) kept HG2 GLN 83 - HG2 GLN 83 (0.03) kept Peak 80 (2.15, 2.26, 32.92 ppm): 14 chemical-shift based assignments, quality = 0.889, support = 3.78, residual support = 77.3: * O T QG GLN 8 - HB3 GLN 8 7.143% * 91.6716% (0.90 10.0 10.00 4.07 84.04) = 91.672% kept HB ILE 85 - HB3 GLN 8 7.143% * 4.1721% (0.85 1.0 1.00 0.97 5.78) = 4.172% kept HB2 ASN 74 - HB3 GLN 8 7.143% * 1.9190% (0.90 1.0 1.00 0.42 0.02) = 1.919% kept QB MET 10 - HB3 GLN 8 7.143% * 1.1048% (0.59 1.0 1.00 0.37 0.19) = 1.105% kept T QG GLN 8 - HG2 GLN 83 7.143% * 0.9348% (0.09 1.0 10.00 0.21 0.02) = 0.935% HB3 MET 101 - HB3 GLN 8 7.143% * 0.0829% (0.82 1.0 1.00 0.02 0.02) = 0.083% HB2 GLU- 59 - HB3 GLN 8 7.143% * 0.0483% (0.48 1.0 1.00 0.02 0.02) = 0.048% HB2 LEU 82 - HB3 GLN 8 7.143% * 0.0276% (0.27 1.0 1.00 0.02 0.65) = 0.028% HB2 ASN 74 - HG2 GLN 83 7.143% * 0.0090% (0.09 1.0 1.00 0.02 0.02) = 0.009% HB ILE 85 - HG2 GLN 83 7.143% * 0.0084% (0.08 1.0 1.00 0.02 2.05) = 0.008% HB3 MET 101 - HG2 GLN 83 7.143% * 0.0081% (0.08 1.0 1.00 0.02 0.02) = 0.008% QB MET 10 - HG2 GLN 83 7.143% * 0.0059% (0.06 1.0 1.00 0.02 0.13) = 0.006% HB2 GLU- 59 - HG2 GLN 83 7.143% * 0.0047% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB2 LEU 82 - HG2 GLN 83 7.143% * 0.0027% (0.03 1.0 1.00 0.02 15.04) = 0.003% Peak 81 (6.22, 2.15, 34.42 ppm): 1 chemical-shift based assignment, quality = 0.905, support = 4.04, residual support = 84.0: * O T HA GLN 8 - QG GLN 8 100.000% *100.0000% (0.90 10.0 10.00 4.04 84.04) = 100.000% kept Peak 82 (2.40, 2.15, 34.42 ppm): 4 chemical-shift based assignments, quality = 0.879, support = 4.31, residual support = 75.4: * O T HB2 GLN 8 - QG GLN 8 25.000% * 88.9970% (0.90 10.0 10.00 4.63 84.04) = 88.997% kept HE3 LYS+ 56 - QG GLN 8 25.000% * 6.9223% (0.67 1.0 1.00 2.09 5.25) = 6.922% kept HG3 GLU- 68 - QG GLN 8 25.000% * 3.9851% (0.67 1.0 1.00 1.20 4.95) = 3.985% kept HB3 ASP- 89 - QG GLN 8 25.000% * 0.0956% (0.97 1.0 1.00 0.02 0.02) = 0.096% Peak 83 (2.25, 2.15, 34.42 ppm): 3 chemical-shift based assignments, quality = 0.901, support = 4.05, residual support = 83.7: * O T HB3 GLN 8 - QG GLN 8 33.333% * 99.5355% (0.90 10.0 10.00 4.07 84.04) = 99.535% kept T HG2 GLN 83 - QG GLN 8 33.333% * 0.3678% (0.33 1.0 10.00 0.02 0.02) = 0.368% HB2 PRO 25 - QG GLN 8 33.333% * 0.0967% (0.88 1.0 1.00 0.02 0.58) = 0.097% Peak 84 (2.15, 2.15, 34.42 ppm): 1 diagonal assignment: * QG GLN 8 - QG GLN 8 (0.90) kept Peak 85 (5.02, 5.03, 57.41 ppm): 1 diagonal assignment: * HA PHE 9 - HA PHE 9 (0.93) kept Peak 86 (3.09, 5.03, 57.41 ppm): 4 chemical-shift based assignments, quality = 0.903, support = 3.27, residual support = 25.3: * O T HB2 PHE 9 - HA PHE 9 25.000% * 98.7716% (0.90 10.0 10.00 3.30 25.66) = 98.772% kept HB2 PHE 92 - HA PHE 9 25.000% * 1.1514% (0.78 1.0 1.00 0.27 0.02) = 1.151% kept QB PHE 32 - HA PHE 9 25.000% * 0.0440% (0.40 1.0 1.00 0.02 0.48) = 0.044% HB3 TRP 67 - HA PHE 9 25.000% * 0.0330% (0.30 1.0 1.00 0.02 0.02) = 0.033% Peak 87 (2.95, 5.03, 57.41 ppm): 8 chemical-shift based assignments, quality = 0.901, support = 3.36, residual support = 25.6: * O HB3 PHE 9 - HA PHE 9 12.500% * 99.5950% (0.90 10.0 3.37 25.66) = 99.595% kept QE LYS+ 17 - HA PHE 9 12.500% * 0.0901% (0.82 1.0 0.02 0.02) = 0.090% HB2 ASP- 89 - HA PHE 9 12.500% * 0.0741% (0.67 1.0 0.02 0.02) = 0.074% HE3 LYS+ 60 - HA PHE 9 12.500% * 0.0654% (0.59 1.0 0.02 0.02) = 0.065% QE LYS+ 55 - HA PHE 9 12.500% * 0.0611% (0.55 1.0 0.02 0.02) = 0.061% QB ASN 29 - HA PHE 9 12.500% * 0.0405% (0.37 1.0 0.02 0.02) = 0.040% HD3 ARG+ 48 - HA PHE 9 12.500% * 0.0405% (0.37 1.0 0.02 0.02) = 0.040% HD3 ARG+ 88 - HA PHE 9 12.500% * 0.0333% (0.30 1.0 0.02 0.02) = 0.033% Peak 88 (5.02, 3.10, 41.54 ppm): 3 chemical-shift based assignments, quality = 0.922, support = 3.25, residual support = 25.2: * O T HA PHE 9 - HB2 PHE 9 33.333% * 98.3489% (0.93 10.0 10.00 3.30 25.66) = 98.349% kept HA VAL 94 - HB2 PHE 9 33.333% * 1.5481% (0.67 1.0 1.00 0.43 0.02) = 1.548% kept HA LEU 63 - HB2 PHE 9 33.333% * 0.1030% (0.97 1.0 1.00 0.02 0.02) = 0.103% Peak 89 (3.09, 3.10, 41.54 ppm): 1 diagonal assignment: * HB2 PHE 9 - HB2 PHE 9 (0.90) kept Peak 90 (2.95, 3.10, 41.54 ppm): 8 chemical-shift based assignments, quality = 0.898, support = 2.92, residual support = 25.3: * O HB3 PHE 9 - HB2 PHE 9 12.500% * 98.4647% (0.90 10.0 2.96 25.66) = 98.465% kept QE LYS+ 55 - HB2 PHE 9 12.500% * 1.1953% (0.55 1.0 0.40 0.02) = 1.195% kept QE LYS+ 17 - HB2 PHE 9 12.500% * 0.0891% (0.82 1.0 0.02 0.02) = 0.089% HB2 ASP- 89 - HB2 PHE 9 12.500% * 0.0733% (0.67 1.0 0.02 0.02) = 0.073% HE3 LYS+ 60 - HB2 PHE 9 12.500% * 0.0647% (0.59 1.0 0.02 0.02) = 0.065% QB ASN 29 - HB2 PHE 9 12.500% * 0.0400% (0.37 1.0 0.02 0.02) = 0.040% HD3 ARG+ 48 - HB2 PHE 9 12.500% * 0.0400% (0.37 1.0 0.02 0.02) = 0.040% HD3 ARG+ 88 - HB2 PHE 9 12.500% * 0.0329% (0.30 1.0 0.02 0.02) = 0.033% Peak 91 (5.02, 2.96, 41.54 ppm): 3 chemical-shift based assignments, quality = 0.926, support = 3.36, residual support = 25.6: * O T HA PHE 9 - HB3 PHE 9 33.333% * 99.8229% (0.93 10.0 10.00 3.37 25.66) = 99.823% kept HA LEU 63 - HB3 PHE 9 33.333% * 0.1046% (0.97 1.0 1.00 0.02 0.02) = 0.105% HA VAL 94 - HB3 PHE 9 33.333% * 0.0725% (0.67 1.0 1.00 0.02 0.02) = 0.072% Peak 92 (3.09, 2.96, 41.54 ppm): 4 chemical-shift based assignments, quality = 0.903, support = 2.92, residual support = 25.3: * O T HB2 PHE 9 - HB3 PHE 9 25.000% * 98.5958% (0.90 10.0 10.00 2.96 25.66) = 98.596% kept HB2 PHE 92 - HB3 PHE 9 25.000% * 1.3273% (0.78 1.0 1.00 0.31 0.02) = 1.327% kept QB PHE 32 - HB3 PHE 9 25.000% * 0.0439% (0.40 1.0 1.00 0.02 0.48) = 0.044% HB3 TRP 67 - HB3 PHE 9 25.000% * 0.0330% (0.30 1.0 1.00 0.02 0.02) = 0.033% Peak 93 (2.95, 2.96, 41.54 ppm): 1 diagonal assignment: * HB3 PHE 9 - HB3 PHE 9 (0.90) kept Peak 94 (5.83, 5.84, 53.84 ppm): 1 diagonal assignment: * HA MET 10 - HA MET 10 (0.90) kept Peak 95 (2.12, 5.84, 53.84 ppm): 8 chemical-shift based assignments, quality = 0.894, support = 4.64, residual support = 60.0: * O T QB MET 10 - HA MET 10 12.500% * 96.4291% (0.90 10.0 10.00 4.80 62.24) = 96.429% kept HB ILE 85 - HA MET 10 12.500% * 2.0019% (0.67 1.0 1.00 0.56 0.02) = 2.002% kept HB2 MET 1 - HA MET 10 12.500% * 1.0272% (0.75 1.0 1.00 0.26 0.02) = 1.027% kept HB2 ASN 74 - HA MET 10 12.500% * 0.3871% (0.59 1.0 1.00 0.12 4.79) = 0.387% HB3 MET 101 - HA MET 10 12.500% * 0.0759% (0.71 1.0 1.00 0.02 0.02) = 0.076% HB3 PRO 37 - HA MET 10 12.500% * 0.0322% (0.30 1.0 1.00 0.02 0.02) = 0.032% HB2 GLU- 16 - HA MET 10 12.500% * 0.0260% (0.24 1.0 1.00 0.02 0.02) = 0.026% QG GLN 8 - HA MET 10 12.500% * 0.0207% (0.19 1.0 1.00 0.02 0.19) = 0.021% Peak 96 (2.60, 5.84, 53.84 ppm): 6 chemical-shift based assignments, quality = 0.846, support = 3.22, residual support = 55.2: * O T HG3 MET 10 - HA MET 10 16.667% * 88.7341% (0.88 10.0 10.00 3.59 62.24) = 88.734% kept T HG2 MET 1 - HA MET 10 16.667% * 11.0294% (0.59 1.0 10.00 0.37 0.02) = 11.029% kept HD3 PRO 35 - HA MET 10 16.667% * 0.0981% (0.97 1.0 1.00 0.02 0.02) = 0.098% HB3 ASN 100 - HA MET 10 16.667% * 0.0913% (0.90 1.0 1.00 0.02 0.02) = 0.091% HB3 PHE 13 - HA MET 10 16.667% * 0.0275% (0.27 1.0 1.00 0.02 0.02) = 0.028% HA VAL 71 - HA MET 10 16.667% * 0.0196% (0.19 1.0 1.00 0.02 0.02) = 0.020% Peak 97 (5.83, 2.13, 35.95 ppm): 1 chemical-shift based assignment, quality = 0.905, support = 4.8, residual support = 62.2: * O T HA MET 10 - QB MET 10 100.000% *100.0000% (0.90 10.0 10.00 4.80 62.24) = 100.000% kept Peak 98 (2.12, 2.13, 35.95 ppm): 1 diagonal assignment: * QB MET 10 - QB MET 10 (0.90) kept Peak 99 (2.60, 2.13, 35.95 ppm): 6 chemical-shift based assignments, quality = 0.84, support = 4.38, residual support = 53.9: * O T HG3 MET 10 - QB MET 10 16.667% * 86.6078% (0.88 10.0 10.00 4.99 62.24) = 86.608% kept T HG2 MET 1 - QB MET 10 16.667% * 13.1614% (0.59 1.0 10.00 0.45 0.02) = 13.161% kept HD3 PRO 35 - QB MET 10 16.667% * 0.0957% (0.97 1.0 1.00 0.02 0.02) = 0.096% HB3 ASN 100 - QB MET 10 16.667% * 0.0891% (0.90 1.0 1.00 0.02 0.02) = 0.089% HB3 PHE 13 - QB MET 10 16.667% * 0.0269% (0.27 1.0 1.00 0.02 0.02) = 0.027% HA VAL 71 - QB MET 10 16.667% * 0.0191% (0.19 1.0 1.00 0.02 0.02) = 0.019% Peak 100 (5.83, 2.60, 32.48 ppm): 2 chemical-shift based assignments, quality = 0.905, support = 3.12, residual support = 53.2: * O T HA MET 10 - HG3 MET 10 50.000% * 85.4349% (0.91 10.0 10.00 3.59 62.24) = 85.435% kept T HA MET 10 - HG2 MET 1 50.000% * 14.5651% (0.85 1.0 10.00 0.37 0.02) = 14.565% kept Peak 101 (2.12, 2.60, 32.48 ppm): 16 chemical-shift based assignments, quality = 0.809, support = 3.63, residual support = 53.0: * O T QB MET 10 - HG3 MET 10 6.250% * 48.7417% (0.91 10.0 10.00 4.99 62.24) = 48.742% kept O T HB2 MET 1 - HG2 MET 1 6.250% * 37.4305% (0.70 10.0 10.00 3.00 60.21) = 37.430% kept T QB MET 10 - HG2 MET 1 6.250% * 10.1592% (0.85 1.0 10.00 0.45 0.02) = 10.159% kept HB2 ASN 74 - HG3 MET 10 6.250% * 2.3495% (0.60 1.0 1.00 1.47 4.79) = 2.349% kept T HB2 MET 1 - HG3 MET 10 6.250% * 0.4035% (0.76 1.0 10.00 0.02 0.02) = 0.404% T HB3 MET 101 - HG3 MET 10 6.250% * 0.3834% (0.72 1.0 10.00 0.02 0.02) = 0.383% T HB3 MET 101 - HG2 MET 1 6.250% * 0.3557% (0.67 1.0 10.00 0.02 0.02) = 0.356% HB ILE 85 - HG3 MET 10 6.250% * 0.0363% (0.68 1.0 1.00 0.02 0.02) = 0.036% HB ILE 85 - HG2 MET 1 6.250% * 0.0336% (0.63 1.0 1.00 0.02 0.02) = 0.034% HB2 ASN 74 - HG2 MET 1 6.250% * 0.0297% (0.56 1.0 1.00 0.02 0.30) = 0.030% HB3 PRO 37 - HG3 MET 10 6.250% * 0.0163% (0.31 1.0 1.00 0.02 0.02) = 0.016% HB3 PRO 37 - HG2 MET 1 6.250% * 0.0151% (0.28 1.0 1.00 0.02 0.02) = 0.015% HB2 GLU- 16 - HG3 MET 10 6.250% * 0.0132% (0.25 1.0 1.00 0.02 0.02) = 0.013% HB2 GLU- 16 - HG2 MET 1 6.250% * 0.0122% (0.23 1.0 1.00 0.02 0.02) = 0.012% QG GLN 8 - HG3 MET 10 6.250% * 0.0104% (0.20 1.0 1.00 0.02 0.19) = 0.010% QG GLN 8 - HG2 MET 1 6.250% * 0.0097% (0.18 1.0 1.00 0.02 0.02) = 0.010% Peak 102 (2.60, 2.60, 32.48 ppm): 2 diagonal assignments: * HG3 MET 10 - HG3 MET 10 (0.89) kept HG2 MET 1 - HG2 MET 1 (0.56) kept Peak 103 (5.14, 5.15, 53.84 ppm): 2 diagonal assignments: * HA LYS+ 11 - HA LYS+ 11 (0.90) kept HA LEU 82 - HA LEU 82 (0.46) kept Peak 104 (2.07, 5.15, 53.84 ppm): 14 chemical-shift based assignments, quality = 0.735, support = 3.78, residual support = 41.3: * O T HB2 LYS+ 11 - HA LYS+ 11 7.143% * 51.3751% (0.90 10.0 10.00 5.14 64.06) = 51.375% kept T HB2 LYS+ 11 - HA LEU 82 7.143% * 25.9275% (0.75 1.0 10.00 1.22 11.78) = 25.927% kept T QG PRO 12 - HA LYS+ 11 7.143% * 11.0138% (0.19 1.0 10.00 5.37 39.19) = 11.014% kept HG3 GLN 83 - HA LEU 82 7.143% * 6.0324% (0.75 1.0 1.00 2.83 15.04) = 6.032% kept T QG PRO 12 - HA LEU 82 7.143% * 5.4395% (0.16 1.0 10.00 1.19 1.33) = 5.440% kept HG3 GLN 83 - HA LYS+ 11 7.143% * 0.0514% (0.90 1.0 1.00 0.02 0.50) = 0.051% QB ARG+ 88 - HA LYS+ 11 7.143% * 0.0425% (0.75 1.0 1.00 0.02 0.02) = 0.043% QB ARG+ 88 - HA LEU 82 7.143% * 0.0353% (0.62 1.0 1.00 0.02 0.02) = 0.035% HG2 MET 54 - HA LYS+ 11 7.143% * 0.0229% (0.40 1.0 1.00 0.02 0.11) = 0.023% HG2 MET 54 - HA LEU 82 7.143% * 0.0190% (0.33 1.0 1.00 0.02 0.61) = 0.019% HB2 GLU- 16 - HA LYS+ 11 7.143% * 0.0124% (0.22 1.0 1.00 0.02 0.02) = 0.012% HB2 GLU- 16 - HA LEU 82 7.143% * 0.0103% (0.18 1.0 1.00 0.02 0.41) = 0.010% HB3 PRO 37 - HA LYS+ 11 7.143% * 0.0097% (0.17 1.0 1.00 0.02 0.02) = 0.010% HB3 PRO 37 - HA LEU 82 7.143% * 0.0081% (0.14 1.0 1.00 0.02 0.02) = 0.008% Peak 105 (1.85, 5.15, 53.84 ppm): 18 chemical-shift based assignments, quality = 0.833, support = 4.22, residual support = 50.2: * O T HB3 LYS+ 11 - HA LYS+ 11 5.556% * 73.1131% (0.90 10.0 10.00 5.09 64.06) = 73.113% kept QE MET 10 - HA LYS+ 11 5.556% * 10.7962% (0.63 1.0 1.00 4.21 23.30) = 10.796% kept T QB MET 54 - HA LEU 82 5.556% * 8.0739% (0.65 1.0 10.00 0.31 0.61) = 8.074% kept T HB3 LYS+ 11 - HA LEU 82 5.556% * 6.7627% (0.75 1.0 10.00 0.22 11.78) = 6.763% kept T QB MET 54 - HA LYS+ 11 5.556% * 0.6342% (0.78 1.0 10.00 0.02 0.11) = 0.634% HG3 PRO 33 - HA LYS+ 11 5.556% * 0.0790% (0.98 1.0 1.00 0.02 0.02) = 0.079% HB3 PRO 33 - HA LYS+ 11 5.556% * 0.0764% (0.95 1.0 1.00 0.02 0.02) = 0.076% HG3 PRO 33 - HA LEU 82 5.556% * 0.0656% (0.81 1.0 1.00 0.02 0.02) = 0.066% HB3 PRO 33 - HA LEU 82 5.556% * 0.0635% (0.79 1.0 1.00 0.02 0.02) = 0.063% HB3 ARG+ 90 - HA LYS+ 11 5.556% * 0.0605% (0.75 1.0 1.00 0.02 0.02) = 0.061% QB LYS+ 72 - HA LYS+ 11 5.556% * 0.0575% (0.71 1.0 1.00 0.02 2.56) = 0.058% HB3 ARG+ 90 - HA LEU 82 5.556% * 0.0503% (0.62 1.0 1.00 0.02 0.02) = 0.050% QB LYS+ 72 - HA LEU 82 5.556% * 0.0478% (0.59 1.0 1.00 0.02 0.02) = 0.048% QE MET 10 - HA LEU 82 5.556% * 0.0426% (0.53 1.0 1.00 0.02 2.73) = 0.043% HD3 PRO 25 - HA LYS+ 11 5.556% * 0.0297% (0.37 1.0 1.00 0.02 0.02) = 0.030% HD3 PRO 25 - HA LEU 82 5.556% * 0.0247% (0.31 1.0 1.00 0.02 0.02) = 0.025% HB ILE 24 - HA LYS+ 11 5.556% * 0.0122% (0.15 1.0 1.00 0.02 0.02) = 0.012% HB ILE 24 - HA LEU 82 5.556% * 0.0101% (0.13 1.0 1.00 0.02 0.02) = 0.010% Peak 106 (1.66, 5.15, 53.84 ppm): 14 chemical-shift based assignments, quality = 0.927, support = 4.3, residual support = 41.9: QB PRO 12 - HA LYS+ 11 7.143% * 44.6038% (0.95 5.62 39.19) = 44.604% kept * QD LYS+ 11 - HA LYS+ 11 7.143% * 37.1419% (0.98 4.52 64.06) = 37.142% kept QB PRO 12 - HA LEU 82 7.143% * 6.7616% (0.79 1.03 1.33) = 6.762% kept HB2 LEU 43 - HA LEU 82 7.143% * 3.8639% (0.77 0.60 8.35) = 3.864% kept HB2 LEU 43 - HA LYS+ 11 7.143% * 3.5185% (0.93 0.45 0.52) = 3.518% kept HB2 LYS+ 56 - HA LYS+ 11 7.143% * 1.8810% (0.71 0.32 0.76) = 1.881% kept QD LYS+ 11 - HA LEU 82 7.143% * 1.5209% (0.81 0.22 11.78) = 1.521% kept QD LYS+ 17 - HA LYS+ 11 7.143% * 0.1518% (0.90 0.02 0.02) = 0.152% QD LYS+ 17 - HA LEU 82 7.143% * 0.1261% (0.75 0.02 0.41) = 0.126% HB3 LYS+ 55 - HA LYS+ 11 7.143% * 0.1194% (0.71 0.02 0.02) = 0.119% HB3 LYS+ 55 - HA LEU 82 7.143% * 0.0992% (0.59 0.02 4.95) = 0.099% HB2 LYS+ 56 - HA LEU 82 7.143% * 0.0992% (0.59 0.02 0.72) = 0.099% HG2 PRO 25 - HA LYS+ 11 7.143% * 0.0617% (0.37 0.02 0.02) = 0.062% HG2 PRO 25 - HA LEU 82 7.143% * 0.0513% (0.31 0.02 0.02) = 0.051% Peak 107 (2.99, 5.15, 53.84 ppm): 16 chemical-shift based assignments, quality = 0.855, support = 3.4, residual support = 43.6: * QE LYS+ 11 - HA LYS+ 11 6.250% * 66.5445% (0.90 4.44 64.06) = 66.544% kept QE LYS+ 72 - HA LYS+ 11 6.250% * 24.9775% (0.88 1.71 2.56) = 24.978% kept QE LYS+ 11 - HA LEU 82 6.250% * 2.7753% (0.75 0.22 11.78) = 2.775% kept HB2 TYR 97 - HA LEU 82 6.250% * 1.9435% (0.23 0.52 0.02) = 1.943% kept HD3 ARG+ 88 - HA LEU 82 6.250% * 1.5776% (0.33 0.28 0.02) = 1.578% kept HD3 ARG+ 48 - HA LEU 82 6.250% * 1.1594% (0.28 0.25 0.02) = 1.159% kept QE LYS+ 72 - HA LEU 82 6.250% * 0.2421% (0.73 0.02 0.02) = 0.242% HD3 ARG+ 88 - HA LYS+ 11 6.250% * 0.1336% (0.40 0.02 0.02) = 0.134% QE LYS+ 20 - HA LYS+ 11 6.250% * 0.1220% (0.37 0.02 0.02) = 0.122% HD3 ARG+ 48 - HA LYS+ 11 6.250% * 0.1109% (0.33 0.02 0.02) = 0.111% QE LYS+ 20 - HA LEU 82 6.250% * 0.1013% (0.31 0.02 0.02) = 0.101% HB2 TYR 97 - HA LYS+ 11 6.250% * 0.0904% (0.27 0.02 0.02) = 0.090% QE LYS+ 55 - HA LYS+ 11 6.250% * 0.0643% (0.19 0.02 0.02) = 0.064% HE3 LYS+ 60 - HA LYS+ 11 6.250% * 0.0569% (0.17 0.02 0.02) = 0.057% QE LYS+ 55 - HA LEU 82 6.250% * 0.0534% (0.16 0.02 4.95) = 0.053% HE3 LYS+ 60 - HA LEU 82 6.250% * 0.0473% (0.14 0.02 0.02) = 0.047% Peak 108 (5.14, 2.08, 37.34 ppm): 4 chemical-shift based assignments, quality = 0.782, support = 3.85, residual support = 46.8: * O T HA LYS+ 11 - HB2 LYS+ 11 25.000% * 68.2578% (0.90 10.0 10.00 5.14 64.06) = 68.258% kept T HA LEU 82 - HB2 LYS+ 11 25.000% * 25.4379% (0.55 1.0 10.00 1.22 11.78) = 25.438% kept T HA GLN 83 - HB2 LYS+ 11 25.000% * 6.2943% (0.37 1.0 10.00 0.45 0.50) = 6.294% kept HA VAL 40 - HB2 LYS+ 11 25.000% * 0.0100% (0.13 1.0 1.00 0.02 0.12) = 0.010% Peak 109 (2.07, 2.08, 37.34 ppm): 1 diagonal assignment: * HB2 LYS+ 11 - HB2 LYS+ 11 (0.90) kept Peak 110 (1.85, 2.08, 37.34 ppm): 9 chemical-shift based assignments, quality = 0.862, support = 4.79, residual support = 58.4: * O T HB3 LYS+ 11 - HB2 LYS+ 11 11.111% * 86.7199% (0.90 10.0 10.00 4.96 64.06) = 86.720% kept QE MET 10 - HB2 LYS+ 11 11.111% * 12.1538% (0.63 1.0 1.00 4.00 23.30) = 12.154% kept T QB MET 54 - HB2 LYS+ 11 11.111% * 0.7522% (0.78 1.0 10.00 0.02 0.11) = 0.752% HG3 PRO 33 - HB2 LYS+ 11 11.111% * 0.0937% (0.98 1.0 1.00 0.02 0.02) = 0.094% HB3 PRO 33 - HB2 LYS+ 11 11.111% * 0.0907% (0.95 1.0 1.00 0.02 0.02) = 0.091% HB3 ARG+ 90 - HB2 LYS+ 11 11.111% * 0.0718% (0.75 1.0 1.00 0.02 0.02) = 0.072% QB LYS+ 72 - HB2 LYS+ 11 11.111% * 0.0682% (0.71 1.0 1.00 0.02 2.56) = 0.068% HD3 PRO 25 - HB2 LYS+ 11 11.111% * 0.0353% (0.37 1.0 1.00 0.02 0.02) = 0.035% HB ILE 24 - HB2 LYS+ 11 11.111% * 0.0145% (0.15 1.0 1.00 0.02 0.02) = 0.014% Peak 111 (1.66, 2.08, 37.34 ppm): 7 chemical-shift based assignments, quality = 0.963, support = 3.56, residual support = 57.7: * O QD LYS+ 11 - HB2 LYS+ 11 14.286% * 79.6104% (0.98 10.0 3.49 64.06) = 79.610% kept QB PRO 12 - HB2 LYS+ 11 14.286% * 16.9352% (0.95 1.0 4.41 39.19) = 16.935% kept HB2 LYS+ 56 - HB2 LYS+ 11 14.286% * 3.2179% (0.71 1.0 1.11 0.76) = 3.218% kept HB2 LEU 43 - HB2 LYS+ 11 14.286% * 0.0753% (0.93 1.0 0.02 0.52) = 0.075% QD LYS+ 17 - HB2 LYS+ 11 14.286% * 0.0735% (0.90 1.0 0.02 0.02) = 0.073% HB3 LYS+ 55 - HB2 LYS+ 11 14.286% * 0.0578% (0.71 1.0 0.02 0.02) = 0.058% HG2 PRO 25 - HB2 LYS+ 11 14.286% * 0.0299% (0.37 1.0 0.02 0.02) = 0.030% Peak 112 (2.99, 2.08, 37.34 ppm): 8 chemical-shift based assignments, quality = 0.884, support = 3.31, residual support = 46.3: * QE LYS+ 11 - HB2 LYS+ 11 12.500% * 71.1724% (0.90 4.05 64.06) = 71.172% kept QE LYS+ 72 - HB2 LYS+ 11 12.500% * 27.0951% (0.88 1.59 2.56) = 27.095% kept QE LYS+ 55 - HB2 LYS+ 11 12.500% * 1.1305% (0.19 0.30 0.02) = 1.130% kept HD3 ARG+ 88 - HB2 LYS+ 11 12.500% * 0.1566% (0.40 0.02 0.02) = 0.157% QE LYS+ 20 - HB2 LYS+ 11 12.500% * 0.1430% (0.37 0.02 0.02) = 0.143% HD3 ARG+ 48 - HB2 LYS+ 11 12.500% * 0.1299% (0.33 0.02 0.02) = 0.130% HB2 TYR 97 - HB2 LYS+ 11 12.500% * 0.1059% (0.27 0.02 0.02) = 0.106% HE3 LYS+ 60 - HB2 LYS+ 11 12.500% * 0.0667% (0.17 0.02 0.02) = 0.067% Peak 113 (5.14, 1.86, 37.34 ppm): 8 chemical-shift based assignments, quality = 0.862, support = 4.57, residual support = 57.9: * O T HA LYS+ 11 - HB3 LYS+ 11 12.500% * 89.1832% (0.91 10.0 10.00 5.09 64.06) = 89.183% kept T HA LEU 82 - HB3 LYS+ 11 12.500% * 6.0915% (0.56 1.0 10.00 0.22 11.78) = 6.092% kept T HA LEU 82 - QB MET 54 12.500% * 4.2040% (0.28 1.0 10.00 0.31 0.61) = 4.204% kept T HA LYS+ 11 - QB MET 54 12.500% * 0.4472% (0.46 1.0 10.00 0.02 0.11) = 0.447% HA GLN 83 - HB3 LYS+ 11 12.500% * 0.0363% (0.37 1.0 1.00 0.02 0.50) = 0.036% HA GLN 83 - QB MET 54 12.500% * 0.0182% (0.19 1.0 1.00 0.02 1.51) = 0.018% HA VAL 40 - HB3 LYS+ 11 12.500% * 0.0131% (0.13 1.0 1.00 0.02 0.12) = 0.013% HA VAL 40 - QB MET 54 12.500% * 0.0066% (0.07 1.0 1.00 0.02 6.95) = 0.007% Peak 114 (2.07, 1.86, 37.34 ppm): 14 chemical-shift based assignments, quality = 0.754, support = 4.74, residual support = 61.9: * O T HB2 LYS+ 11 - HB3 LYS+ 11 7.143% * 77.7841% (0.91 10.0 10.00 4.96 64.06) = 77.784% kept O HG2 MET 54 - QB MET 54 7.143% * 17.3698% (0.20 10.0 1.00 4.12 61.01) = 17.370% kept QG PRO 12 - HB3 LYS+ 11 7.143% * 3.6830% (0.20 1.0 1.00 4.42 39.19) = 3.683% kept HG2 MET 54 - HB3 LYS+ 11 7.143% * 0.5009% (0.41 1.0 1.00 0.29 0.11) = 0.501% T HB2 LYS+ 11 - QB MET 54 7.143% * 0.3900% (0.46 1.0 10.00 0.02 0.11) = 0.390% HG3 GLN 83 - HB3 LYS+ 11 7.143% * 0.0778% (0.91 1.0 1.00 0.02 0.50) = 0.078% QB ARG+ 88 - HB3 LYS+ 11 7.143% * 0.0644% (0.76 1.0 1.00 0.02 0.02) = 0.064% HG3 GLN 83 - QB MET 54 7.143% * 0.0390% (0.46 1.0 1.00 0.02 1.51) = 0.039% QB ARG+ 88 - QB MET 54 7.143% * 0.0323% (0.38 1.0 1.00 0.02 0.02) = 0.032% HB2 GLU- 16 - HB3 LYS+ 11 7.143% * 0.0188% (0.22 1.0 1.00 0.02 0.02) = 0.019% HB3 PRO 37 - HB3 LYS+ 11 7.143% * 0.0148% (0.17 1.0 1.00 0.02 0.02) = 0.015% HB2 GLU- 16 - QB MET 54 7.143% * 0.0094% (0.11 1.0 1.00 0.02 1.53) = 0.009% QG PRO 12 - QB MET 54 7.143% * 0.0084% (0.10 1.0 1.00 0.02 0.02) = 0.008% HB3 PRO 37 - QB MET 54 7.143% * 0.0074% (0.09 1.0 1.00 0.02 0.02) = 0.007% Peak 115 (1.85, 1.86, 37.34 ppm): 2 diagonal assignments: * HB3 LYS+ 11 - HB3 LYS+ 11 (0.91) kept QB MET 54 - QB MET 54 (0.40) kept Peak 117 (2.99, 1.86, 37.34 ppm): 16 chemical-shift based assignments, quality = 0.825, support = 3.37, residual support = 42.9: * QE LYS+ 11 - HB3 LYS+ 11 6.250% * 63.7562% (0.91 4.20 64.06) = 63.756% kept QE LYS+ 72 - HB3 LYS+ 11 6.250% * 26.2568% (0.89 1.78 2.56) = 26.257% kept QE LYS+ 55 - QB MET 54 6.250% * 6.0312% (0.10 3.70 22.34) = 6.031% kept QE LYS+ 55 - HB3 LYS+ 11 6.250% * 1.3185% (0.20 0.41 0.02) = 1.319% kept HD3 ARG+ 48 - QB MET 54 6.250% * 0.8953% (0.17 0.32 5.85) = 0.895% QE LYS+ 20 - HB3 LYS+ 11 6.250% * 0.8408% (0.37 0.14 0.02) = 0.841% QE LYS+ 11 - QB MET 54 6.250% * 0.1523% (0.46 0.02 0.11) = 0.152% QE LYS+ 72 - QB MET 54 6.250% * 0.1479% (0.45 0.02 0.02) = 0.148% HD3 ARG+ 88 - HB3 LYS+ 11 6.250% * 0.1352% (0.41 0.02 0.02) = 0.135% HD3 ARG+ 48 - HB3 LYS+ 11 6.250% * 0.1122% (0.34 0.02 0.02) = 0.112% HB2 TYR 97 - HB3 LYS+ 11 6.250% * 0.0915% (0.28 0.02 0.02) = 0.091% HD3 ARG+ 88 - QB MET 54 6.250% * 0.0678% (0.20 0.02 0.02) = 0.068% QE LYS+ 20 - QB MET 54 6.250% * 0.0619% (0.19 0.02 0.02) = 0.062% HE3 LYS+ 60 - HB3 LYS+ 11 6.250% * 0.0576% (0.17 0.02 0.02) = 0.058% HB2 TYR 97 - QB MET 54 6.250% * 0.0459% (0.14 0.02 0.02) = 0.046% HE3 LYS+ 60 - QB MET 54 6.250% * 0.0289% (0.09 0.02 0.02) = 0.029% Peak 118 (5.14, 3.00, 42.19 ppm): 8 chemical-shift based assignments, quality = 0.892, support = 3.05, residual support = 34.5: * T HA LYS+ 11 - QE LYS+ 11 12.500% * 51.3779% (0.90 10.00 4.44 64.06) = 51.378% kept T HA LYS+ 11 - QE LYS+ 72 12.500% * 44.5150% (0.91 10.00 1.71 2.56) = 44.515% kept T HA LEU 82 - QE LYS+ 11 12.500% * 3.5093% (0.55 10.00 0.22 11.78) = 3.509% kept T HA LEU 82 - QE LYS+ 72 12.500% * 0.3186% (0.56 10.00 0.02 0.02) = 0.319% HA VAL 40 - QE LYS+ 11 12.500% * 0.1458% (0.13 1.00 0.39 0.12) = 0.146% HA GLN 83 - QE LYS+ 11 12.500% * 0.1046% (0.37 1.00 0.10 0.50) = 0.105% HA GLN 83 - QE LYS+ 72 12.500% * 0.0211% (0.37 1.00 0.02 0.02) = 0.021% HA VAL 40 - QE LYS+ 72 12.500% * 0.0076% (0.13 1.00 0.02 0.02) = 0.008% Peak 119 (2.07, 3.00, 42.19 ppm): 14 chemical-shift based assignments, quality = 0.877, support = 2.91, residual support = 36.0: * T HB2 LYS+ 11 - QE LYS+ 11 7.143% * 53.3051% (0.90 10.00 4.05 64.06) = 53.305% kept T HB2 LYS+ 11 - QE LYS+ 72 7.143% * 42.7543% (0.91 10.00 1.59 2.56) = 42.754% kept QG PRO 12 - QE LYS+ 11 7.143% * 2.0178% (0.19 1.00 3.53 39.19) = 2.018% kept QG PRO 12 - QE LYS+ 72 7.143% * 0.6684% (0.20 1.00 1.16 0.28) = 0.668% T QB ARG+ 88 - QE LYS+ 72 7.143% * 0.4462% (0.76 10.00 0.02 0.02) = 0.446% T QB ARG+ 88 - QE LYS+ 11 7.143% * 0.4413% (0.75 10.00 0.02 0.02) = 0.441% HG2 MET 54 - QE LYS+ 72 7.143% * 0.1898% (0.41 1.00 0.16 0.02) = 0.190% HG3 GLN 83 - QE LYS+ 72 7.143% * 0.0539% (0.91 1.00 0.02 0.02) = 0.054% HG3 GLN 83 - QE LYS+ 11 7.143% * 0.0533% (0.90 1.00 0.02 0.50) = 0.053% HG2 MET 54 - QE LYS+ 11 7.143% * 0.0237% (0.40 1.00 0.02 0.11) = 0.024% HB2 GLU- 16 - QE LYS+ 72 7.143% * 0.0130% (0.22 1.00 0.02 0.02) = 0.013% HB2 GLU- 16 - QE LYS+ 11 7.143% * 0.0129% (0.22 1.00 0.02 0.02) = 0.013% HB3 PRO 37 - QE LYS+ 72 7.143% * 0.0102% (0.17 1.00 0.02 0.02) = 0.010% HB3 PRO 37 - QE LYS+ 11 7.143% * 0.0101% (0.17 1.00 0.02 0.02) = 0.010% Peak 120 (1.85, 3.00, 42.19 ppm): 18 chemical-shift based assignments, quality = 0.869, support = 2.97, residual support = 35.0: * T HB3 LYS+ 11 - QE LYS+ 11 5.556% * 44.9778% (0.90 10.00 4.20 64.06) = 44.978% kept T HB3 LYS+ 11 - QE LYS+ 72 5.556% * 40.4772% (0.91 10.00 1.78 2.56) = 40.477% kept QB LYS+ 72 - QE LYS+ 72 5.556% * 6.0227% (0.72 1.00 3.37 66.93) = 6.023% kept QE MET 10 - QE LYS+ 11 5.556% * 4.8255% (0.63 1.00 3.06 23.30) = 4.826% kept QE MET 10 - QE LYS+ 72 5.556% * 1.1781% (0.64 1.00 0.74 0.02) = 1.178% kept HB3 PRO 33 - QE LYS+ 72 5.556% * 1.0563% (0.96 1.00 0.44 0.75) = 1.056% kept HG3 PRO 33 - QE LYS+ 11 5.556% * 0.4193% (0.98 1.00 0.17 0.02) = 0.419% T QB MET 54 - QE LYS+ 72 5.556% * 0.3945% (0.79 10.00 0.02 0.02) = 0.395% T QB MET 54 - QE LYS+ 11 5.556% * 0.3902% (0.78 10.00 0.02 0.11) = 0.390% HG3 PRO 33 - QE LYS+ 72 5.556% * 0.0492% (0.99 1.00 0.02 0.75) = 0.049% HB3 PRO 33 - QE LYS+ 11 5.556% * 0.0470% (0.95 1.00 0.02 0.02) = 0.047% HB3 ARG+ 90 - QE LYS+ 72 5.556% * 0.0377% (0.76 1.00 0.02 0.02) = 0.038% HB3 ARG+ 90 - QE LYS+ 11 5.556% * 0.0372% (0.75 1.00 0.02 0.02) = 0.037% QB LYS+ 72 - QE LYS+ 11 5.556% * 0.0354% (0.71 1.00 0.02 2.56) = 0.035% HD3 PRO 25 - QE LYS+ 72 5.556% * 0.0185% (0.37 1.00 0.02 0.02) = 0.018% HD3 PRO 25 - QE LYS+ 11 5.556% * 0.0183% (0.37 1.00 0.02 0.02) = 0.018% HB ILE 24 - QE LYS+ 72 5.556% * 0.0076% (0.15 1.00 0.02 0.02) = 0.008% HB ILE 24 - QE LYS+ 11 5.556% * 0.0075% (0.15 1.00 0.02 0.02) = 0.008% Peak 121 (1.66, 3.00, 42.19 ppm): 14 chemical-shift based assignments, quality = 0.968, support = 2.85, residual support = 52.8: * O QD LYS+ 11 - QE LYS+ 11 7.143% * 74.2696% (0.98 10.0 2.98 64.06) = 74.270% kept QB PRO 12 - QE LYS+ 11 7.143% * 12.8365% (0.95 1.0 3.58 39.19) = 12.836% kept QD LYS+ 11 - QE LYS+ 72 7.143% * 6.4144% (0.99 1.0 1.71 2.56) = 6.414% kept QB PRO 12 - QE LYS+ 72 7.143% * 4.9411% (0.96 1.0 1.36 0.28) = 4.941% kept HB2 LYS+ 56 - QE LYS+ 72 7.143% * 1.0407% (0.72 1.0 0.38 0.22) = 1.041% kept HB2 LEU 43 - QE LYS+ 72 7.143% * 0.0710% (0.94 1.0 0.02 1.10) = 0.071% HB2 LEU 43 - QE LYS+ 11 7.143% * 0.0703% (0.93 1.0 0.02 0.52) = 0.070% QD LYS+ 17 - QE LYS+ 72 7.143% * 0.0693% (0.91 1.0 0.02 1.66) = 0.069% QD LYS+ 17 - QE LYS+ 11 7.143% * 0.0686% (0.90 1.0 0.02 0.02) = 0.069% HB3 LYS+ 55 - QE LYS+ 72 7.143% * 0.0545% (0.72 1.0 0.02 0.10) = 0.055% HB2 LYS+ 56 - QE LYS+ 11 7.143% * 0.0539% (0.71 1.0 0.02 0.76) = 0.054% HB3 LYS+ 55 - QE LYS+ 11 7.143% * 0.0539% (0.71 1.0 0.02 0.02) = 0.054% HG2 PRO 25 - QE LYS+ 72 7.143% * 0.0282% (0.37 1.0 0.02 0.02) = 0.028% HG2 PRO 25 - QE LYS+ 11 7.143% * 0.0279% (0.37 1.0 0.02 0.02) = 0.028% Peak 122 (2.99, 3.00, 42.19 ppm): 2 diagonal assignments: * QE LYS+ 11 - QE LYS+ 11 (0.90) kept QE LYS+ 72 - QE LYS+ 72 (0.89) kept Peak 123 (4.29, 3.90, 51.25 ppm): 3 chemical-shift based assignments, quality = 0.904, support = 4.37, residual support = 43.9: * O T HA PRO 12 - QD PRO 12 33.333% * 99.9314% (0.90 10.0 10.00 4.37 43.94) = 99.931% kept HA PHE 28 - QD PRO 12 33.333% * 0.0445% (0.40 1.0 1.00 0.02 0.12) = 0.045% HA ASN 75 - QD PRO 12 33.333% * 0.0241% (0.22 1.0 1.00 0.02 0.02) = 0.024% Peak 124 (1.66, 3.90, 51.25 ppm): 6 chemical-shift based assignments, quality = 0.905, support = 4.6, residual support = 43.0: * O QB PRO 12 - QD PRO 12 16.667% * 81.3293% (0.93 10.0 4.50 43.94) = 81.329% kept QD LYS+ 11 - QD PRO 12 16.667% * 18.4464% (0.82 1.0 5.14 39.19) = 18.446% kept HB2 LYS+ 56 - QD PRO 12 16.667% * 0.0843% (0.96 1.0 0.02 0.02) = 0.084% HB2 LEU 43 - QD PRO 12 16.667% * 0.0556% (0.63 1.0 0.02 0.02) = 0.056% QD LYS+ 17 - QD PRO 12 16.667% * 0.0521% (0.59 1.0 0.02 0.02) = 0.052% HB3 LYS+ 55 - QD PRO 12 16.667% * 0.0323% (0.37 1.0 0.02 0.02) = 0.032% Peak 125 (2.04, 3.90, 51.25 ppm): 8 chemical-shift based assignments, quality = 0.901, support = 3.62, residual support = 34.2: * O T QG PRO 12 - QD PRO 12 12.500% * 77.8209% (0.93 10.0 10.00 4.48 43.94) = 77.821% kept T HG2 PRO 33 - QD PRO 12 12.500% * 21.8545% (0.82 1.0 10.00 0.64 0.18) = 21.854% kept HG3 MET 54 - QD PRO 12 12.500% * 0.0934% (0.27 1.0 1.00 0.08 0.02) = 0.093% HB ILE 38 - QD PRO 12 12.500% * 0.0806% (0.96 1.0 1.00 0.02 0.02) = 0.081% HB VAL 52 - QD PRO 12 12.500% * 0.0778% (0.93 1.0 1.00 0.02 0.02) = 0.078% HB2 ARG+ 53 - QD PRO 12 12.500% * 0.0433% (0.52 1.0 1.00 0.02 0.02) = 0.043% HG3 GLN 83 - QD PRO 12 12.500% * 0.0183% (0.22 1.0 1.00 0.02 0.02) = 0.018% HB3 MET 1 - QD PRO 12 12.500% * 0.0111% (0.13 1.0 1.00 0.02 0.02) = 0.011% Peak 126 (3.89, 3.90, 51.25 ppm): 1 diagonal assignment: * QD PRO 12 - QD PRO 12 (0.90) kept Peak 127 (4.29, 4.30, 62.81 ppm): 1 diagonal assignment: * HA PRO 12 - HA PRO 12 (0.90) kept Peak 128 (1.66, 4.30, 62.81 ppm): 6 chemical-shift based assignments, quality = 0.914, support = 3.66, residual support = 43.3: * O QB PRO 12 - HA PRO 12 16.667% * 89.2487% (0.93 10.0 3.78 43.94) = 89.249% kept QD LYS+ 11 - HA PRO 12 16.667% * 10.5051% (0.82 1.0 2.67 39.19) = 10.505% kept HB2 LYS+ 56 - HA PRO 12 16.667% * 0.0925% (0.96 1.0 0.02 0.02) = 0.092% HB2 LEU 43 - HA PRO 12 16.667% * 0.0610% (0.63 1.0 0.02 0.02) = 0.061% QD LYS+ 17 - HA PRO 12 16.667% * 0.0572% (0.59 1.0 0.02 0.02) = 0.057% HB3 LYS+ 55 - HA PRO 12 16.667% * 0.0354% (0.37 1.0 0.02 0.02) = 0.035% Peak 129 (2.04, 4.30, 62.81 ppm): 8 chemical-shift based assignments, quality = 0.901, support = 3.16, residual support = 35.8: * O T QG PRO 12 - HA PRO 12 12.500% * 81.4224% (0.93 10.0 10.00 3.79 43.94) = 81.422% kept T HG2 PRO 33 - HA PRO 12 12.500% * 16.5422% (0.82 1.0 10.00 0.46 0.18) = 16.542% kept HB ILE 38 - HA PRO 12 12.500% * 1.1261% (0.96 1.0 1.00 0.27 0.02) = 1.126% kept T HB2 ARG+ 53 - HA PRO 12 12.500% * 0.4529% (0.52 1.0 10.00 0.02 0.02) = 0.453% T HG3 MET 54 - HA PRO 12 12.500% * 0.2393% (0.27 1.0 10.00 0.02 0.02) = 0.239% T HB3 MET 1 - HA PRO 12 12.500% * 0.1165% (0.13 1.0 10.00 0.02 0.02) = 0.116% HB VAL 52 - HA PRO 12 12.500% * 0.0814% (0.93 1.0 1.00 0.02 0.02) = 0.081% HG3 GLN 83 - HA PRO 12 12.500% * 0.0192% (0.22 1.0 1.00 0.02 0.02) = 0.019% Peak 130 (3.89, 4.30, 62.81 ppm): 4 chemical-shift based assignments, quality = 0.9, support = 4.23, residual support = 42.1: * O T QD PRO 12 - HA PRO 12 25.000% * 95.7377% (0.90 10.0 10.00 4.37 43.94) = 95.738% kept HB2 SER 21 - HA PRO 12 25.000% * 4.1117% (0.82 1.0 1.00 0.95 0.12) = 4.112% kept HA VAL 65 - HA PRO 12 25.000% * 0.1001% (0.95 1.0 1.00 0.02 0.02) = 0.100% HA MET 101 - HA PRO 12 25.000% * 0.0505% (0.48 1.0 1.00 0.02 0.02) = 0.050% Peak 131 (4.29, 1.66, 32.30 ppm): 3 chemical-shift based assignments, quality = 0.89, support = 3.78, residual support = 43.9: * O T HA PRO 12 - QB PRO 12 33.333% * 99.9314% (0.89 10.0 10.00 3.78 43.94) = 99.931% kept HA PHE 28 - QB PRO 12 33.333% * 0.0445% (0.40 1.0 1.00 0.02 0.12) = 0.045% HA ASN 75 - QB PRO 12 33.333% * 0.0241% (0.21 1.0 1.00 0.02 0.02) = 0.024% Peak 132 (1.66, 1.66, 32.30 ppm): 1 diagonal assignment: * QB PRO 12 - QB PRO 12 (0.91) kept Peak 133 (2.04, 1.66, 32.30 ppm): 8 chemical-shift based assignments, quality = 0.892, support = 3.13, residual support = 36.5: * O T QG PRO 12 - QB PRO 12 12.500% * 82.8892% (0.91 10.0 10.00 3.69 43.94) = 82.889% kept T HG2 PRO 33 - QB PRO 12 12.500% * 16.8402% (0.81 1.0 10.00 0.46 0.18) = 16.840% kept HB ILE 38 - QB PRO 12 12.500% * 0.0859% (0.95 1.0 1.00 0.02 0.02) = 0.086% HB VAL 52 - QB PRO 12 12.500% * 0.0829% (0.91 1.0 1.00 0.02 0.02) = 0.083% HB2 ARG+ 53 - QB PRO 12 12.500% * 0.0461% (0.51 1.0 1.00 0.02 0.02) = 0.046% HG3 MET 54 - QB PRO 12 12.500% * 0.0244% (0.27 1.0 1.00 0.02 0.02) = 0.024% HG3 GLN 83 - QB PRO 12 12.500% * 0.0195% (0.21 1.0 1.00 0.02 0.02) = 0.020% HB3 MET 1 - QB PRO 12 12.500% * 0.0119% (0.13 1.0 1.00 0.02 0.02) = 0.012% Peak 134 (3.89, 1.66, 32.30 ppm): 4 chemical-shift based assignments, quality = 0.884, support = 4.38, residual support = 42.7: * O T QD PRO 12 - QB PRO 12 25.000% * 97.0856% (0.89 10.0 10.00 4.50 43.94) = 97.086% kept HB2 SER 21 - QB PRO 12 25.000% * 2.4087% (0.81 1.0 1.00 0.55 0.12) = 2.409% kept HA VAL 65 - QB PRO 12 25.000% * 0.4545% (0.93 1.0 1.00 0.09 0.02) = 0.454% HA MET 101 - QB PRO 12 25.000% * 0.0512% (0.47 1.0 1.00 0.02 0.02) = 0.051% Peak 135 (4.29, 2.05, 27.30 ppm): 6 chemical-shift based assignments, quality = 0.889, support = 3.78, residual support = 43.8: * O T HA PRO 12 - QG PRO 12 16.667% * 99.7867% (0.89 10.0 10.00 3.79 43.94) = 99.787% kept T HA PRO 12 - HG2 PRO 33 16.667% * 0.1355% (0.12 1.0 10.00 0.02 0.18) = 0.136% HA PHE 28 - QG PRO 12 16.667% * 0.0444% (0.40 1.0 1.00 0.02 0.12) = 0.044% HA ASN 75 - QG PRO 12 16.667% * 0.0241% (0.21 1.0 1.00 0.02 0.02) = 0.024% HA PHE 28 - HG2 PRO 33 16.667% * 0.0060% (0.05 1.0 1.00 0.02 0.02) = 0.006% HA ASN 75 - HG2 PRO 33 16.667% * 0.0033% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 136 (1.66, 2.05, 27.30 ppm): 12 chemical-shift based assignments, quality = 0.896, support = 3.54, residual support = 43.2: * O QB PRO 12 - QG PRO 12 8.333% * 89.4795% (0.91 10.0 3.69 43.94) = 89.480% kept QD LYS+ 11 - QG PRO 12 8.333% * 9.8481% (0.81 1.0 2.49 39.19) = 9.848% kept HB2 LYS+ 56 - QG PRO 12 8.333% * 0.4619% (0.95 1.0 0.10 0.02) = 0.462% HB2 LEU 43 - QG PRO 12 8.333% * 0.0612% (0.62 1.0 0.02 0.02) = 0.061% QD LYS+ 17 - QG PRO 12 8.333% * 0.0574% (0.59 1.0 0.02 0.02) = 0.057% HB3 LYS+ 55 - QG PRO 12 8.333% * 0.0355% (0.36 1.0 0.02 0.02) = 0.036% HB2 LYS+ 56 - HG2 PRO 33 8.333% * 0.0126% (0.13 1.0 0.02 6.37) = 0.013% QB PRO 12 - HG2 PRO 33 8.333% * 0.0122% (0.12 1.0 0.02 0.18) = 0.012% QD LYS+ 11 - HG2 PRO 33 8.333% * 0.0107% (0.11 1.0 0.02 0.02) = 0.011% HB2 LEU 43 - HG2 PRO 33 8.333% * 0.0083% (0.08 1.0 0.02 0.02) = 0.008% QD LYS+ 17 - HG2 PRO 33 8.333% * 0.0078% (0.08 1.0 0.02 0.26) = 0.008% HB3 LYS+ 55 - HG2 PRO 33 8.333% * 0.0048% (0.05 1.0 0.02 2.76) = 0.005% Peak 137 (2.04, 2.05, 27.30 ppm): 2 diagonal assignments: * QG PRO 12 - QG PRO 12 (0.91) kept HG2 PRO 33 - HG2 PRO 33 (0.11) kept Peak 138 (3.89, 2.05, 27.30 ppm): 8 chemical-shift based assignments, quality = 0.884, support = 4.44, residual support = 43.6: * O T QD PRO 12 - QG PRO 12 12.500% * 99.2253% (0.89 10.0 10.00 4.48 43.94) = 99.225% kept HA VAL 65 - QG PRO 12 12.500% * 0.4645% (0.93 1.0 1.00 0.09 0.02) = 0.464% T QD PRO 12 - HG2 PRO 33 12.500% * 0.1347% (0.12 1.0 10.00 0.02 0.18) = 0.135% HB2 SER 21 - QG PRO 12 12.500% * 0.0898% (0.81 1.0 1.00 0.02 0.12) = 0.090% HA MET 101 - QG PRO 12 12.500% * 0.0523% (0.47 1.0 1.00 0.02 0.02) = 0.052% HA VAL 65 - HG2 PRO 33 12.500% * 0.0141% (0.13 1.0 1.00 0.02 0.02) = 0.014% HB2 SER 21 - HG2 PRO 33 12.500% * 0.0122% (0.11 1.0 1.00 0.02 0.71) = 0.012% HA MET 101 - HG2 PRO 33 12.500% * 0.0071% (0.06 1.0 1.00 0.02 1.94) = 0.007% Peak 139 (4.24, 4.25, 59.35 ppm): 1 diagonal assignment: * HA PHE 13 - HA PHE 13 (0.89) kept Peak 140 (3.14, 4.25, 59.35 ppm): 5 chemical-shift based assignments, quality = 0.934, support = 3.16, residual support = 36.6: * O T HB2 PHE 13 - HA PHE 13 20.000% * 96.0692% (0.94 10.0 10.00 3.27 38.06) = 96.069% kept HD2 ARG+ 48 - HA PHE 13 20.000% * 2.4915% (0.89 1.0 1.00 0.55 0.10) = 2.492% kept HB3 TYR 86 - HA PHE 13 20.000% * 1.3523% (0.79 1.0 1.00 0.33 0.02) = 1.352% kept QB HIS 99 - HA PHE 13 20.000% * 0.0616% (0.60 1.0 1.00 0.02 0.02) = 0.062% HB3 TRP 67 - HA PHE 13 20.000% * 0.0253% (0.25 1.0 1.00 0.02 0.02) = 0.025% Peak 141 (2.56, 4.25, 59.35 ppm): 7 chemical-shift based assignments, quality = 0.937, support = 1.98, residual support = 19.9: * O T HB3 PHE 13 - HA PHE 13 14.286% * 46.1511% (0.91 10.0 10.00 2.83 38.06) = 46.151% kept T HE2 LYS+ 56 - HA PHE 13 14.286% * 36.8127% (0.99 1.0 10.00 1.47 6.30) = 36.813% kept T HB3 TYR 81 - HA PHE 13 14.286% * 16.8930% (0.89 1.0 10.00 0.75 0.02) = 16.893% kept T HB3 ASN 75 - HA PHE 13 14.286% * 0.0771% (0.15 1.0 10.00 0.02 0.02) = 0.077% HG3 MET 1 - HA PHE 13 14.286% * 0.0462% (0.91 1.0 1.00 0.02 0.02) = 0.046% HB3 ASP- 41 - HA PHE 13 14.286% * 0.0111% (0.22 1.0 1.00 0.02 0.02) = 0.011% HD3 PRO 35 - HA PHE 13 14.286% * 0.0088% (0.17 1.0 1.00 0.02 0.02) = 0.009% Peak 142 (4.24, 3.15, 39.77 ppm): 4 chemical-shift based assignments, quality = 0.864, support = 3.18, residual support = 36.9: * O T HA PHE 13 - HB2 PHE 13 25.000% * 96.7108% (0.87 10.0 10.00 3.27 38.06) = 96.711% kept HD2 PRO 33 - HB2 PHE 13 25.000% * 3.1585% (0.87 1.0 1.00 0.65 3.65) = 3.159% kept HA GLU- 59 - HB2 PHE 13 25.000% * 0.0863% (0.77 1.0 1.00 0.02 0.02) = 0.086% HA ASN 75 - HB2 PHE 13 25.000% * 0.0443% (0.40 1.0 1.00 0.02 0.02) = 0.044% Peak 143 (3.14, 3.15, 39.77 ppm): 1 diagonal assignment: * HB2 PHE 13 - HB2 PHE 13 (0.91) kept Peak 144 (2.56, 3.15, 39.77 ppm): 7 chemical-shift based assignments, quality = 0.892, support = 2.16, residual support = 36.5: * O T HB3 PHE 13 - HB2 PHE 13 14.286% * 95.0909% (0.89 10.0 10.00 2.23 38.06) = 95.091% kept HE2 LYS+ 56 - HB2 PHE 13 14.286% * 4.6648% (0.97 1.0 1.00 0.91 6.30) = 4.665% kept HG3 MET 1 - HB2 PHE 13 14.286% * 0.0951% (0.89 1.0 1.00 0.02 0.02) = 0.095% HB3 TYR 81 - HB2 PHE 13 14.286% * 0.0924% (0.87 1.0 1.00 0.02 0.02) = 0.092% HB3 ASP- 41 - HB2 PHE 13 14.286% * 0.0229% (0.21 1.0 1.00 0.02 0.02) = 0.023% HD3 PRO 35 - HB2 PHE 13 14.286% * 0.0180% (0.17 1.0 1.00 0.02 0.02) = 0.018% HB3 ASN 75 - HB2 PHE 13 14.286% * 0.0159% (0.15 1.0 1.00 0.02 0.02) = 0.016% Peak 145 (4.24, 2.57, 39.77 ppm): 4 chemical-shift based assignments, quality = 0.87, support = 2.77, residual support = 33.8: * O T HA PHE 13 - HB3 PHE 13 25.000% * 87.7967% (0.88 10.0 10.00 2.83 38.06) = 87.797% kept HD2 PRO 33 - HB3 PHE 13 25.000% * 11.2025% (0.88 1.0 1.00 2.55 3.65) = 11.202% kept HA ASN 75 - HB3 PHE 13 25.000% * 0.9224% (0.40 1.0 1.00 0.46 0.02) = 0.922% HA GLU- 59 - HB3 PHE 13 25.000% * 0.0784% (0.78 1.0 1.00 0.02 0.02) = 0.078% Peak 146 (3.14, 2.57, 39.77 ppm): 5 chemical-shift based assignments, quality = 0.925, support = 2.22, residual support = 38.0: * O T HB2 PHE 13 - HB3 PHE 13 20.000% * 99.7308% (0.93 10.0 10.00 2.23 38.06) = 99.731% kept HD2 ARG+ 48 - HB3 PHE 13 20.000% * 0.0946% (0.88 1.0 1.00 0.02 0.10) = 0.095% HB3 TYR 86 - HB3 PHE 13 20.000% * 0.0844% (0.78 1.0 1.00 0.02 0.02) = 0.084% QB HIS 99 - HB3 PHE 13 20.000% * 0.0639% (0.59 1.0 1.00 0.02 0.02) = 0.064% HB3 TRP 67 - HB3 PHE 13 20.000% * 0.0263% (0.24 1.0 1.00 0.02 0.02) = 0.026% Peak 147 (2.56, 2.57, 39.77 ppm): 1 diagonal assignment: * HB3 PHE 13 - HB3 PHE 13 (0.90) kept Peak 148 (4.36, 4.36, 58.87 ppm): 1 diagonal assignment: * HA ILE 14 - HA ILE 14 (0.91) kept Peak 149 (1.74, 4.36, 58.87 ppm): 8 chemical-shift based assignments, quality = 0.899, support = 6.01, residual support = 154.2: * O T HB ILE 14 - HA ILE 14 12.500% * 96.3861% (0.91 10.0 10.00 6.23 159.95) = 96.386% kept HB3 PRO 25 - HA ILE 14 12.500% * 2.0280% (0.93 1.0 1.00 0.41 0.81) = 2.028% kept T HG12 ILE 38 - HA ILE 14 12.500% * 0.8159% (0.77 1.0 10.00 0.02 0.15) = 0.816% HB2 LYS+ 55 - HA ILE 14 12.500% * 0.5954% (0.40 1.0 1.00 0.28 0.98) = 0.595% HB2 ARG+ 48 - HA ILE 14 12.500% * 0.0914% (0.87 1.0 1.00 0.02 6.85) = 0.091% HB VAL 61 - HA ILE 14 12.500% * 0.0348% (0.33 1.0 1.00 0.02 0.83) = 0.035% HB2 GLU- 23 - HA ILE 14 12.500% * 0.0283% (0.27 1.0 1.00 0.02 1.47) = 0.028% HB ILE 95 - HA ILE 14 12.500% * 0.0202% (0.19 1.0 1.00 0.02 0.16) = 0.020% Peak 150 (0.96, 4.36, 58.87 ppm): 6 chemical-shift based assignments, quality = 0.869, support = 4.42, residual support = 133.9: * O T QG2 ILE 14 - HA ILE 14 16.667% * 83.3602% (0.87 10.0 10.00 5.07 159.95) = 83.360% kept HB3 ARG+ 48 - HA ILE 14 16.667% * 6.7093% (0.91 1.0 1.00 1.53 6.85) = 6.709% kept QG2 VAL 52 - HA ILE 14 16.667% * 5.1045% (0.95 1.0 1.00 1.12 2.01) = 5.104% kept QD2 LEU 82 - HA ILE 14 16.667% * 3.9509% (0.96 1.0 1.00 0.86 0.54) = 3.951% kept HG3 LYS+ 56 - HA ILE 14 16.667% * 0.6168% (0.89 1.0 1.00 0.14 2.54) = 0.617% T QG2 ILE 85 - HA ILE 14 16.667% * 0.2584% (0.27 1.0 10.00 0.02 0.16) = 0.258% Peak 151 (1.33, 4.36, 58.87 ppm): 5 chemical-shift based assignments, quality = 0.894, support = 4.86, residual support = 142.5: * O T HG12 ILE 14 - HA ILE 14 20.000% * 88.8220% (0.91 10.0 10.00 5.43 159.95) = 88.822% kept T HG LEU 63 - HA ILE 14 20.000% * 9.5398% (0.77 1.0 10.00 0.25 3.04) = 9.540% kept QG LYS+ 60 - HA ILE 14 20.000% * 1.5685% (0.62 1.0 1.00 0.52 9.23) = 1.569% kept QB ALA 34 - HA ILE 14 20.000% * 0.0532% (0.55 1.0 1.00 0.02 0.02) = 0.053% QG2 THR 51 - HA ILE 14 20.000% * 0.0164% (0.17 1.0 1.00 0.02 0.29) = 0.016% Peak 152 (1.10, 4.36, 58.87 ppm): 5 chemical-shift based assignments, quality = 0.863, support = 4.82, residual support = 141.5: * O T HG13 ILE 14 - HA ILE 14 20.000% * 88.4081% (0.93 10.0 10.00 5.37 159.95) = 88.408% kept T QG2 ILE 38 - HA ILE 14 20.000% * 9.5807% (0.36 1.0 10.00 0.56 0.15) = 9.581% kept QG1 VAL 52 - HA ILE 14 20.000% * 1.8568% (0.27 1.0 1.00 1.46 2.01) = 1.857% kept HG12 ILE 24 - HA ILE 14 20.000% * 0.0914% (0.96 1.0 1.00 0.02 0.62) = 0.091% HG13 ILE 95 - HA ILE 14 20.000% * 0.0629% (0.66 1.0 1.00 0.02 0.16) = 0.063% Peak 153 (0.83, 4.36, 58.87 ppm): 6 chemical-shift based assignments, quality = 0.871, support = 5.41, residual support = 151.7: * T QD1 ILE 14 - HA ILE 14 16.667% * 94.8131% (0.89 10.00 5.68 159.95) = 94.813% kept HG13 ILE 24 - HA ILE 14 16.667% * 3.4072% (0.77 1.00 0.83 0.62) = 3.407% kept HG LEU 22 - HA ILE 14 16.667% * 0.8702% (0.27 1.00 0.61 0.02) = 0.870% HB2 LEU 76 - HA ILE 14 16.667% * 0.8663% (0.24 1.00 0.68 0.14) = 0.866% QG2 VAL 61 - HA ILE 14 16.667% * 0.0229% (0.21 1.00 0.02 0.83) = 0.023% QG2 VAL 40 - HA ILE 14 16.667% * 0.0203% (0.19 1.00 0.02 0.82) = 0.020% Peak 154 (4.36, 1.75, 38.95 ppm): 7 chemical-shift based assignments, quality = 0.901, support = 6.15, residual support = 157.9: * O T HA ILE 14 - HB ILE 14 14.286% * 98.7473% (0.91 10.0 10.00 6.23 159.95) = 98.747% kept T HA ILE 38 - HB ILE 14 14.286% * 0.9636% (0.89 1.0 10.00 0.02 0.15) = 0.964% HA THR 4 - HB ILE 14 14.286% * 0.0798% (0.74 1.0 1.00 0.02 0.02) = 0.080% HA PRO 33 - HB ILE 14 14.286% * 0.0717% (0.66 1.0 1.00 0.02 0.57) = 0.072% HB THR 4 - HB ILE 14 14.286% * 0.0591% (0.55 1.0 1.00 0.02 0.02) = 0.059% HA1 GLY 47 - HB ILE 14 14.286% * 0.0429% (0.40 1.0 1.00 0.02 0.02) = 0.043% HA ASP- 73 - HB ILE 14 14.286% * 0.0356% (0.33 1.0 1.00 0.02 0.02) = 0.036% Peak 155 (1.74, 1.75, 38.95 ppm): 1 diagonal assignment: * HB ILE 14 - HB ILE 14 (0.91) kept Peak 156 (0.96, 1.75, 38.95 ppm): 6 chemical-shift based assignments, quality = 0.898, support = 2.89, residual support = 73.0: * O T QG2 ILE 14 - HB ILE 14 16.667% * 44.0517% (0.87 10.0 10.00 5.15 159.95) = 44.052% kept T HB3 ARG+ 48 - HB ILE 14 16.667% * 33.3613% (0.91 1.0 10.00 1.44 6.85) = 33.361% kept T QD2 LEU 82 - HB ILE 14 16.667% * 16.9765% (0.96 1.0 10.00 0.70 0.54) = 16.976% kept T HG3 LYS+ 56 - HB ILE 14 16.667% * 3.2596% (0.89 1.0 10.00 0.14 2.54) = 3.260% kept QG2 VAL 52 - HB ILE 14 16.667% * 2.2143% (0.95 1.0 1.00 0.92 2.01) = 2.214% kept T QG2 ILE 85 - HB ILE 14 16.667% * 0.1366% (0.27 1.0 10.00 0.02 0.16) = 0.137% Peak 157 (1.33, 1.75, 38.95 ppm): 5 chemical-shift based assignments, quality = 0.892, support = 4.84, residual support = 140.4: * O T HG12 ILE 14 - HB ILE 14 20.000% * 87.5039% (0.91 10.0 10.00 5.49 159.95) = 87.504% kept T HG LEU 63 - HB ILE 14 20.000% * 10.6727% (0.77 1.0 10.00 0.29 3.04) = 10.673% kept QG LYS+ 60 - HB ILE 14 20.000% * 1.7548% (0.62 1.0 1.00 0.59 9.23) = 1.755% kept QB ALA 34 - HB ILE 14 20.000% * 0.0524% (0.55 1.0 1.00 0.02 0.02) = 0.052% QG2 THR 51 - HB ILE 14 20.000% * 0.0162% (0.17 1.0 1.00 0.02 0.29) = 0.016% Peak 158 (1.10, 1.75, 38.95 ppm): 5 chemical-shift based assignments, quality = 0.861, support = 4.92, residual support = 141.3: * O T HG13 ILE 14 - HB ILE 14 20.000% * 88.3098% (0.93 10.0 10.00 5.49 159.95) = 88.310% kept T QG2 ILE 38 - HB ILE 14 20.000% * 9.3600% (0.36 1.0 10.00 0.55 0.15) = 9.360% kept QG1 VAL 52 - HB ILE 14 20.000% * 1.6104% (0.27 1.0 1.00 1.27 2.01) = 1.610% kept T HG13 ILE 95 - HB ILE 14 20.000% * 0.6286% (0.66 1.0 10.00 0.02 0.16) = 0.629% HG12 ILE 24 - HB ILE 14 20.000% * 0.0913% (0.96 1.0 1.00 0.02 0.62) = 0.091% Peak 159 (0.83, 1.75, 38.95 ppm): 6 chemical-shift based assignments, quality = 0.835, support = 5.4, residual support = 143.4: * O T QD1 ILE 14 - HB ILE 14 16.667% * 89.5908% (0.89 10.0 10.00 5.95 159.95) = 89.591% kept T QG2 VAL 61 - HB ILE 14 16.667% * 7.7183% (0.21 1.0 10.00 0.71 0.83) = 7.718% kept HG13 ILE 24 - HB ILE 14 16.667% * 2.6206% (0.77 1.0 1.00 0.67 0.62) = 2.621% kept HG LEU 22 - HB ILE 14 16.667% * 0.0270% (0.27 1.0 1.00 0.02 0.02) = 0.027% HB2 LEU 76 - HB ILE 14 16.667% * 0.0242% (0.24 1.0 1.00 0.02 0.14) = 0.024% QG2 VAL 40 - HB ILE 14 16.667% * 0.0192% (0.19 1.0 1.00 0.02 0.82) = 0.019% Peak 160 (4.36, 0.96, 59.67 ppm): 14 chemical-shift based assignments, quality = 0.925, support = 4.93, residual support = 155.1: * O T HA ILE 14 - QG2 ILE 14 7.143% * 96.9494% (0.94 10.0 10.00 5.07 159.95) = 96.949% kept HA PRO 33 - QG2 ILE 14 7.143% * 2.3773% (0.68 1.0 1.00 0.68 0.57) = 2.377% kept T HA ILE 14 - QG2 ILE 85 7.143% * 0.1610% (0.16 1.0 10.00 0.02 0.16) = 0.161% T HA ILE 38 - QG2 ILE 85 7.143% * 0.1571% (0.15 1.0 10.00 0.02 0.02) = 0.157% HA ILE 38 - QG2 ILE 14 7.143% * 0.0946% (0.91 1.0 1.00 0.02 0.15) = 0.095% HA THR 4 - QG2 ILE 14 7.143% * 0.0783% (0.76 1.0 1.00 0.02 0.02) = 0.078% HB THR 4 - QG2 ILE 14 7.143% * 0.0580% (0.56 1.0 1.00 0.02 0.02) = 0.058% HA1 GLY 47 - QG2 ILE 14 7.143% * 0.0421% (0.41 1.0 1.00 0.02 0.02) = 0.042% HA ASP- 73 - QG2 ILE 14 7.143% * 0.0350% (0.34 1.0 1.00 0.02 0.02) = 0.035% HA THR 4 - QG2 ILE 85 7.143% * 0.0130% (0.13 1.0 1.00 0.02 0.02) = 0.013% HA PRO 33 - QG2 ILE 85 7.143% * 0.0117% (0.11 1.0 1.00 0.02 2.12) = 0.012% HB THR 4 - QG2 ILE 85 7.143% * 0.0096% (0.09 1.0 1.00 0.02 0.02) = 0.010% HA1 GLY 47 - QG2 ILE 85 7.143% * 0.0070% (0.07 1.0 1.00 0.02 0.02) = 0.007% HA ASP- 73 - QG2 ILE 85 7.143% * 0.0058% (0.06 1.0 1.00 0.02 0.02) = 0.006% Peak 161 (1.74, 0.96, 59.67 ppm): 16 chemical-shift based assignments, quality = 0.869, support = 3.23, residual support = 77.6: * O T HB ILE 14 - QG2 ILE 14 6.250% * 48.2179% (0.94 10.0 10.00 5.15 159.95) = 48.218% kept T HB3 PRO 25 - QG2 ILE 14 6.250% * 38.3429% (0.96 1.0 10.00 1.56 0.81) = 38.343% kept T HB2 LYS+ 55 - QG2 ILE 14 6.250% * 12.3894% (0.41 1.0 10.00 1.18 0.98) = 12.389% kept T HB2 ARG+ 48 - QG2 ILE 14 6.250% * 0.4571% (0.89 1.0 10.00 0.02 6.85) = 0.457% T HB2 LYS+ 55 - QG2 ILE 85 6.250% * 0.3396% (0.07 1.0 10.00 0.20 0.52) = 0.340% T HB ILE 14 - QG2 ILE 85 6.250% * 0.0801% (0.16 1.0 10.00 0.02 0.16) = 0.080% T HG12 ILE 38 - QG2 ILE 85 6.250% * 0.0678% (0.13 1.0 10.00 0.02 0.02) = 0.068% HG12 ILE 38 - QG2 ILE 14 6.250% * 0.0408% (0.79 1.0 1.00 0.02 0.15) = 0.041% HB VAL 61 - QG2 ILE 14 6.250% * 0.0174% (0.34 1.0 1.00 0.02 0.83) = 0.017% HB2 GLU- 23 - QG2 ILE 14 6.250% * 0.0142% (0.28 1.0 1.00 0.02 1.47) = 0.014% HB ILE 95 - QG2 ILE 14 6.250% * 0.0101% (0.20 1.0 1.00 0.02 0.16) = 0.010% HB3 PRO 25 - QG2 ILE 85 6.250% * 0.0082% (0.16 1.0 1.00 0.02 0.02) = 0.008% HB2 ARG+ 48 - QG2 ILE 85 6.250% * 0.0076% (0.15 1.0 1.00 0.02 0.02) = 0.008% HB VAL 61 - QG2 ILE 85 6.250% * 0.0029% (0.06 1.0 1.00 0.02 0.02) = 0.003% HB2 GLU- 23 - QG2 ILE 85 6.250% * 0.0024% (0.05 1.0 1.00 0.02 0.02) = 0.002% HB ILE 95 - QG2 ILE 85 6.250% * 0.0017% (0.03 1.0 1.00 0.02 4.90) = 0.002% Peak 162 (0.96, 0.96, 59.67 ppm): 2 diagonal assignments: * QG2 ILE 14 - QG2 ILE 14 (0.89) kept QG2 ILE 85 - QG2 ILE 85 (0.05) kept Peak 163 (1.33, 0.96, 59.67 ppm): 10 chemical-shift based assignments, quality = 0.893, support = 3.92, residual support = 130.8: * O T HG12 ILE 14 - QG2 ILE 14 10.000% * 81.4600% (0.94 10.0 10.00 4.72 159.95) = 81.460% kept T HG LEU 63 - QG2 ILE 14 10.000% * 16.0197% (0.79 1.0 10.00 0.46 3.04) = 16.020% kept T HG LEU 63 - QG2 ILE 85 10.000% * 1.7322% (0.13 1.0 10.00 0.30 0.02) = 1.732% kept QG LYS+ 60 - QG2 ILE 14 10.000% * 0.5691% (0.64 1.0 1.00 0.20 9.23) = 0.569% T HG12 ILE 14 - QG2 ILE 85 10.000% * 0.1353% (0.16 1.0 10.00 0.02 0.16) = 0.135% QB ALA 34 - QG2 ILE 14 10.000% * 0.0488% (0.56 1.0 1.00 0.02 0.02) = 0.049% QG2 THR 51 - QG2 ILE 14 10.000% * 0.0151% (0.17 1.0 1.00 0.02 0.29) = 0.015% QG LYS+ 60 - QG2 ILE 85 10.000% * 0.0093% (0.11 1.0 1.00 0.02 0.52) = 0.009% QB ALA 34 - QG2 ILE 85 10.000% * 0.0081% (0.09 1.0 1.00 0.02 0.02) = 0.008% QG2 THR 51 - QG2 ILE 85 10.000% * 0.0025% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 164 (1.10, 0.96, 59.67 ppm): 10 chemical-shift based assignments, quality = 0.888, support = 4.2, residual support = 142.5: * O T HG13 ILE 14 - QG2 ILE 14 10.000% * 88.9832% (0.96 10.0 10.00 4.65 159.95) = 88.983% kept T QG1 VAL 52 - QG2 ILE 14 10.000% * 7.9543% (0.28 1.0 10.00 0.62 2.01) = 7.954% kept HG13 ILE 95 - QG2 ILE 14 10.000% * 1.6841% (0.68 1.0 1.00 0.53 0.16) = 1.684% kept QG2 ILE 38 - QG2 ILE 14 10.000% * 1.0512% (0.37 1.0 1.00 0.61 0.15) = 1.051% kept T HG13 ILE 14 - QG2 ILE 85 10.000% * 0.1478% (0.16 1.0 10.00 0.02 0.16) = 0.148% HG12 ILE 24 - QG2 ILE 14 10.000% * 0.0920% (0.99 1.0 1.00 0.02 0.62) = 0.092% T QG2 ILE 38 - QG2 ILE 85 10.000% * 0.0575% (0.06 1.0 10.00 0.02 0.02) = 0.057% HG12 ILE 24 - QG2 ILE 85 10.000% * 0.0153% (0.16 1.0 1.00 0.02 0.02) = 0.015% HG13 ILE 95 - QG2 ILE 85 10.000% * 0.0105% (0.11 1.0 1.00 0.02 4.90) = 0.011% QG1 VAL 52 - QG2 ILE 85 10.000% * 0.0043% (0.05 1.0 1.00 0.02 2.88) = 0.004% Peak 165 (0.83, 0.96, 59.67 ppm): 12 chemical-shift based assignments, quality = 0.851, support = 4.6, residual support = 142.0: * T QD1 ILE 14 - QG2 ILE 14 8.333% * 88.7888% (0.91 10.00 5.09 159.95) = 88.789% kept T HB2 LEU 76 - QG2 ILE 14 8.333% * 8.8876% (0.25 10.00 0.74 0.14) = 8.888% kept HG13 ILE 24 - QG2 ILE 14 8.333% * 2.0452% (0.79 1.00 0.53 0.62) = 2.045% kept T QD1 ILE 14 - QG2 ILE 85 8.333% * 0.1475% (0.15 10.00 0.02 0.16) = 0.147% T HB2 LEU 76 - QG2 ILE 85 8.333% * 0.0398% (0.04 10.00 0.02 1.06) = 0.040% HG LEU 22 - QG2 ILE 14 8.333% * 0.0267% (0.28 1.00 0.02 0.02) = 0.027% QG2 VAL 61 - QG2 ILE 14 8.333% * 0.0214% (0.22 1.00 0.02 0.83) = 0.021% QG2 VAL 40 - QG2 ILE 14 8.333% * 0.0190% (0.20 1.00 0.02 0.82) = 0.019% HG13 ILE 24 - QG2 ILE 85 8.333% * 0.0128% (0.13 1.00 0.02 0.02) = 0.013% HG LEU 22 - QG2 ILE 85 8.333% * 0.0044% (0.05 1.00 0.02 0.81) = 0.004% QG2 VAL 61 - QG2 ILE 85 8.333% * 0.0036% (0.04 1.00 0.02 0.02) = 0.004% QG2 VAL 40 - QG2 ILE 85 8.333% * 0.0032% (0.03 1.00 0.02 0.15) = 0.003% Peak 166 (4.36, 1.34, 26.98 ppm): 14 chemical-shift based assignments, quality = 0.897, support = 5.16, residual support = 150.8: * O T HA ILE 14 - HG12 ILE 14 7.143% * 94.2772% (0.91 10.0 10.00 5.43 159.95) = 94.277% kept HA ILE 38 - HG12 ILE 14 7.143% * 3.6659% (0.89 1.0 1.00 0.80 0.15) = 3.666% kept HA ILE 38 - HG LEU 63 7.143% * 1.4416% (0.25 1.0 1.00 1.13 0.84) = 1.442% kept T HA ILE 14 - HG LEU 63 7.143% * 0.2624% (0.25 1.0 10.00 0.02 3.04) = 0.262% HA THR 4 - HG12 ILE 14 7.143% * 0.0762% (0.74 1.0 1.00 0.02 0.02) = 0.076% HA PRO 33 - HG12 ILE 14 7.143% * 0.0685% (0.66 1.0 1.00 0.02 0.57) = 0.068% HB THR 4 - HG12 ILE 14 7.143% * 0.0564% (0.55 1.0 1.00 0.02 0.02) = 0.056% HA1 GLY 47 - HG12 ILE 14 7.143% * 0.0410% (0.40 1.0 1.00 0.02 0.02) = 0.041% HA ASP- 73 - HG12 ILE 14 7.143% * 0.0340% (0.33 1.0 1.00 0.02 0.02) = 0.034% HA THR 4 - HG LEU 63 7.143% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% HA PRO 33 - HG LEU 63 7.143% * 0.0191% (0.18 1.0 1.00 0.02 0.02) = 0.019% HB THR 4 - HG LEU 63 7.143% * 0.0157% (0.15 1.0 1.00 0.02 0.02) = 0.016% HA1 GLY 47 - HG LEU 63 7.143% * 0.0114% (0.11 1.0 1.00 0.02 0.02) = 0.011% HA ASP- 73 - HG LEU 63 7.143% * 0.0095% (0.09 1.0 1.00 0.02 0.02) = 0.009% Peak 167 (1.74, 1.34, 26.98 ppm): 16 chemical-shift based assignments, quality = 0.846, support = 4.87, residual support = 139.4: * O T HB ILE 14 - HG12 ILE 14 6.250% * 86.8634% (0.91 10.0 10.00 5.49 159.95) = 86.863% kept T HB2 LYS+ 55 - HG LEU 63 6.250% * 4.2386% (0.11 1.0 10.00 0.81 8.82) = 4.239% kept HG12 ILE 38 - HG12 ILE 14 6.250% * 3.2960% (0.77 1.0 1.00 0.90 0.15) = 3.296% kept T HB2 LYS+ 55 - HG12 ILE 14 6.250% * 1.8944% (0.40 1.0 10.00 0.10 0.98) = 1.894% kept HG12 ILE 38 - HG LEU 63 6.250% * 1.7236% (0.22 1.0 1.00 1.68 0.84) = 1.724% kept HB3 PRO 25 - HG12 ILE 14 6.250% * 1.2242% (0.93 1.0 1.00 0.28 0.81) = 1.224% kept HB2 ARG+ 48 - HG12 ILE 14 6.250% * 0.3745% (0.87 1.0 1.00 0.09 6.85) = 0.375% T HB ILE 14 - HG LEU 63 6.250% * 0.2418% (0.25 1.0 10.00 0.02 3.04) = 0.242% HB VAL 61 - HG12 ILE 14 6.250% * 0.0313% (0.33 1.0 1.00 0.02 0.83) = 0.031% HB2 GLU- 23 - HG12 ILE 14 6.250% * 0.0255% (0.27 1.0 1.00 0.02 1.47) = 0.026% HB3 PRO 25 - HG LEU 63 6.250% * 0.0247% (0.26 1.0 1.00 0.02 1.08) = 0.025% HB2 ARG+ 48 - HG LEU 63 6.250% * 0.0229% (0.24 1.0 1.00 0.02 0.25) = 0.023% HB ILE 95 - HG12 ILE 14 6.250% * 0.0182% (0.19 1.0 1.00 0.02 0.16) = 0.018% HB VAL 61 - HG LEU 63 6.250% * 0.0087% (0.09 1.0 1.00 0.02 2.42) = 0.009% HB2 GLU- 23 - HG LEU 63 6.250% * 0.0071% (0.07 1.0 1.00 0.02 4.86) = 0.007% HB ILE 95 - HG LEU 63 6.250% * 0.0051% (0.05 1.0 1.00 0.02 0.66) = 0.005% Peak 168 (0.96, 1.34, 26.98 ppm): 12 chemical-shift based assignments, quality = 0.851, support = 4.12, residual support = 132.7: * O T QG2 ILE 14 - HG12 ILE 14 8.333% * 82.3745% (0.87 10.0 10.00 4.72 159.95) = 82.374% kept HB3 ARG+ 48 - HG12 ILE 14 8.333% * 8.1639% (0.91 1.0 1.00 1.88 6.85) = 8.164% kept QG2 VAL 52 - HG12 ILE 14 8.333% * 3.3470% (0.95 1.0 1.00 0.74 2.01) = 3.347% kept QD2 LEU 82 - HG12 ILE 14 8.333% * 2.6729% (0.96 1.0 1.00 0.59 0.54) = 2.673% kept QG2 VAL 52 - HG LEU 63 8.333% * 2.2034% (0.26 1.0 1.00 1.76 12.61) = 2.203% kept HG3 LYS+ 56 - HG12 ILE 14 8.333% * 0.6095% (0.89 1.0 1.00 0.14 2.54) = 0.610% T QG2 ILE 85 - HG12 ILE 14 8.333% * 0.2554% (0.27 1.0 10.00 0.02 0.16) = 0.255% T QG2 ILE 14 - HG LEU 63 8.333% * 0.2293% (0.24 1.0 10.00 0.02 3.04) = 0.229% T QG2 ILE 85 - HG LEU 63 8.333% * 0.0711% (0.07 1.0 10.00 0.02 0.02) = 0.071% QD2 LEU 82 - HG LEU 63 8.333% * 0.0253% (0.27 1.0 1.00 0.02 1.67) = 0.025% HB3 ARG+ 48 - HG LEU 63 8.333% * 0.0242% (0.25 1.0 1.00 0.02 0.25) = 0.024% HG3 LYS+ 56 - HG LEU 63 8.333% * 0.0236% (0.25 1.0 1.00 0.02 0.50) = 0.024% Peak 169 (1.33, 1.34, 26.98 ppm): 2 diagonal assignments: * HG12 ILE 14 - HG12 ILE 14 (0.91) kept HG LEU 63 - HG LEU 63 (0.22) kept Peak 170 (1.10, 1.34, 26.98 ppm): 10 chemical-shift based assignments, quality = 0.784, support = 4.03, residual support = 122.5: * O T HG13 ILE 14 - HG12 ILE 14 10.000% * 76.4874% (0.93 10.0 10.00 5.00 159.95) = 76.487% kept T QG2 ILE 38 - HG12 ILE 14 10.000% * 10.5680% (0.36 1.0 10.00 0.71 0.15) = 10.568% kept T QG2 ILE 38 - HG LEU 63 10.000% * 6.7450% (0.10 1.0 10.00 1.63 0.84) = 6.745% kept T HG13 ILE 14 - HG LEU 63 10.000% * 2.5219% (0.26 1.0 10.00 0.24 3.04) = 2.522% kept HG12 ILE 24 - HG12 ILE 14 10.000% * 1.7966% (0.96 1.0 1.00 0.45 0.62) = 1.797% kept QG1 VAL 52 - HG12 ILE 14 10.000% * 1.0718% (0.27 1.0 1.00 0.97 2.01) = 1.072% kept QG1 VAL 52 - HG LEU 63 10.000% * 0.7177% (0.07 1.0 1.00 2.34 12.61) = 0.718% HG13 ILE 95 - HG12 ILE 14 10.000% * 0.0544% (0.66 1.0 1.00 0.02 0.16) = 0.054% HG12 ILE 24 - HG LEU 63 10.000% * 0.0220% (0.27 1.0 1.00 0.02 9.34) = 0.022% HG13 ILE 95 - HG LEU 63 10.000% * 0.0152% (0.18 1.0 1.00 0.02 0.66) = 0.015% Peak 171 (0.83, 1.34, 26.98 ppm): 12 chemical-shift based assignments, quality = 0.795, support = 4.53, residual support = 130.9: * O T QD1 ILE 14 - HG12 ILE 14 8.333% * 81.5838% (0.89 10.0 10.00 5.28 159.95) = 81.584% kept T QD1 ILE 14 - HG LEU 63 8.333% * 13.8606% (0.25 1.0 10.00 1.22 3.04) = 13.861% kept HG13 ILE 24 - HG12 ILE 14 8.333% * 4.4288% (0.77 1.0 1.00 1.25 0.62) = 4.429% kept HG LEU 22 - HG12 ILE 14 8.333% * 0.0246% (0.27 1.0 1.00 0.02 0.02) = 0.025% HB2 LEU 76 - HG12 ILE 14 8.333% * 0.0220% (0.24 1.0 1.00 0.02 0.14) = 0.022% HG13 ILE 24 - HG LEU 63 8.333% * 0.0197% (0.22 1.0 1.00 0.02 9.34) = 0.020% QG2 VAL 61 - HG12 ILE 14 8.333% * 0.0197% (0.21 1.0 1.00 0.02 0.83) = 0.020% QG2 VAL 40 - HG12 ILE 14 8.333% * 0.0175% (0.19 1.0 1.00 0.02 0.82) = 0.017% HG LEU 22 - HG LEU 63 8.333% * 0.0068% (0.07 1.0 1.00 0.02 46.03) = 0.007% HB2 LEU 76 - HG LEU 63 8.333% * 0.0061% (0.07 1.0 1.00 0.02 0.22) = 0.006% QG2 VAL 61 - HG LEU 63 8.333% * 0.0055% (0.06 1.0 1.00 0.02 2.42) = 0.005% QG2 VAL 40 - HG LEU 63 8.333% * 0.0049% (0.05 1.0 1.00 0.02 0.80) = 0.005% Peak 172 (4.36, 1.11, 26.98 ppm): 7 chemical-shift based assignments, quality = 0.891, support = 5.34, residual support = 159.3: * O T HA ILE 14 - HG13 ILE 14 14.286% * 99.6112% (0.89 10.0 10.00 5.37 159.95) = 99.611% kept HA ILE 38 - HG13 ILE 14 14.286% * 0.0972% (0.87 1.0 1.00 0.02 0.15) = 0.097% HA THR 4 - HG13 ILE 14 14.286% * 0.0805% (0.72 1.0 1.00 0.02 0.02) = 0.080% HA PRO 33 - HG13 ILE 14 14.286% * 0.0723% (0.65 1.0 1.00 0.02 0.57) = 0.072% HB THR 4 - HG13 ILE 14 14.286% * 0.0596% (0.54 1.0 1.00 0.02 0.02) = 0.060% HA1 GLY 47 - HG13 ILE 14 14.286% * 0.0433% (0.39 1.0 1.00 0.02 0.02) = 0.043% HA ASP- 73 - HG13 ILE 14 14.286% * 0.0359% (0.32 1.0 1.00 0.02 0.02) = 0.036% Peak 173 (1.74, 1.11, 26.98 ppm): 8 chemical-shift based assignments, quality = 0.842, support = 5.13, residual support = 148.9: * O T HB ILE 14 - HG13 ILE 14 12.500% * 93.1023% (0.89 10.0 10.00 5.49 159.95) = 93.102% kept T HB ILE 95 - HG13 ILE 14 12.500% * 4.7219% (0.19 1.0 10.00 0.48 0.16) = 4.722% kept T HG12 ILE 38 - HG13 ILE 14 12.500% * 0.7881% (0.76 1.0 10.00 0.02 0.15) = 0.788% HB2 ARG+ 48 - HG13 ILE 14 12.500% * 0.7358% (0.85 1.0 1.00 0.17 6.85) = 0.736% HB3 PRO 25 - HG13 ILE 14 12.500% * 0.4478% (0.91 1.0 1.00 0.09 0.81) = 0.448% HB VAL 61 - HG13 ILE 14 12.500% * 0.1363% (0.32 1.0 1.00 0.08 0.83) = 0.136% HB2 LYS+ 55 - HG13 ILE 14 12.500% * 0.0405% (0.39 1.0 1.00 0.02 0.98) = 0.040% HB2 GLU- 23 - HG13 ILE 14 12.500% * 0.0274% (0.26 1.0 1.00 0.02 1.47) = 0.027% Peak 174 (0.96, 1.11, 26.98 ppm): 6 chemical-shift based assignments, quality = 0.87, support = 3.22, residual support = 78.3: T HB3 ARG+ 48 - HG13 ILE 14 16.667% * 49.3959% (0.89 1.0 10.00 2.06 6.85) = 49.396% kept * O T QG2 ILE 14 - HG13 ILE 14 16.667% * 46.8305% (0.85 10.0 10.00 4.65 159.95) = 46.830% kept QG2 VAL 52 - HG13 ILE 14 16.667% * 1.7522% (0.93 1.0 1.00 0.68 2.01) = 1.752% kept QD2 LEU 82 - HG13 ILE 14 16.667% * 1.5297% (0.94 1.0 1.00 0.59 0.54) = 1.530% kept HG3 LYS+ 56 - HG13 ILE 14 16.667% * 0.3465% (0.87 1.0 1.00 0.14 2.54) = 0.347% T QG2 ILE 85 - HG13 ILE 14 16.667% * 0.1452% (0.26 1.0 10.00 0.02 0.16) = 0.145% Peak 175 (1.33, 1.11, 26.98 ppm): 5 chemical-shift based assignments, quality = 0.878, support = 4.5, residual support = 143.5: * O T HG12 ILE 14 - HG13 ILE 14 20.000% * 89.4824% (0.89 10.0 10.00 5.00 159.95) = 89.482% kept T HG LEU 63 - HG13 ILE 14 20.000% * 8.9723% (0.76 1.0 10.00 0.24 3.04) = 8.972% kept QG LYS+ 60 - HG13 ILE 14 20.000% * 1.4752% (0.61 1.0 1.00 0.48 9.23) = 1.475% kept QB ALA 34 - HG13 ILE 14 20.000% * 0.0536% (0.54 1.0 1.00 0.02 0.02) = 0.054% QG2 THR 51 - HG13 ILE 14 20.000% * 0.0166% (0.17 1.0 1.00 0.02 0.29) = 0.017% Peak 176 (1.10, 1.11, 26.98 ppm): 1 diagonal assignment: * HG13 ILE 14 - HG13 ILE 14 (0.91) kept Peak 177 (0.83, 1.11, 26.98 ppm): 6 chemical-shift based assignments, quality = 0.836, support = 4.84, residual support = 148.5: * O T QD1 ILE 14 - HG13 ILE 14 16.667% * 92.8152% (0.87 10.0 10.00 5.18 159.95) = 92.815% kept T QG2 VAL 61 - HG13 ILE 14 16.667% * 5.2725% (0.21 1.0 10.00 0.47 0.83) = 5.272% kept HG13 ILE 24 - HG13 ILE 14 16.667% * 1.8394% (0.76 1.0 1.00 0.46 0.62) = 1.839% kept HG LEU 22 - HG13 ILE 14 16.667% * 0.0280% (0.26 1.0 1.00 0.02 0.02) = 0.028% HB2 LEU 76 - HG13 ILE 14 16.667% * 0.0251% (0.24 1.0 1.00 0.02 0.14) = 0.025% QG2 VAL 40 - HG13 ILE 14 16.667% * 0.0199% (0.19 1.0 1.00 0.02 0.82) = 0.020% Peak 178 (4.36, 0.84, 53.52 ppm): 7 chemical-shift based assignments, quality = 0.916, support = 5.61, residual support = 158.1: * T HA ILE 14 - QD1 ILE 14 14.286% * 98.8379% (0.93 10.00 5.68 159.95) = 98.838% kept HA1 GLY 47 - QD1 ILE 14 14.286% * 0.4797% (0.40 1.00 0.22 0.02) = 0.480% HB THR 4 - QD1 ILE 14 14.286% * 0.3987% (0.55 1.00 0.13 0.02) = 0.399% HA ILE 38 - QD1 ILE 14 14.286% * 0.0965% (0.90 1.00 0.02 0.15) = 0.096% HA THR 4 - QD1 ILE 14 14.286% * 0.0798% (0.75 1.00 0.02 0.02) = 0.080% HA PRO 33 - QD1 ILE 14 14.286% * 0.0718% (0.67 1.00 0.02 0.57) = 0.072% HA ASP- 73 - QD1 ILE 14 14.286% * 0.0356% (0.33 1.00 0.02 0.02) = 0.036% Peak 179 (1.74, 0.84, 53.52 ppm): 8 chemical-shift based assignments, quality = 0.914, support = 5.67, residual support = 151.8: * O T HB ILE 14 - QD1 ILE 14 12.500% * 94.7100% (0.93 10.0 10.00 5.95 159.95) = 94.710% kept HB2 ARG+ 48 - QD1 ILE 14 12.500% * 4.0862% (0.88 1.0 1.00 0.91 6.85) = 4.086% kept HB2 LYS+ 55 - QD1 ILE 14 12.500% * 0.9452% (0.40 1.0 1.00 0.46 0.98) = 0.945% HB3 PRO 25 - QD1 ILE 14 12.500% * 0.0966% (0.95 1.0 1.00 0.02 0.81) = 0.097% HG12 ILE 38 - QD1 ILE 14 12.500% * 0.0802% (0.78 1.0 1.00 0.02 0.15) = 0.080% HB VAL 61 - QD1 ILE 14 12.500% * 0.0342% (0.33 1.0 1.00 0.02 0.83) = 0.034% HB2 GLU- 23 - QD1 ILE 14 12.500% * 0.0278% (0.27 1.0 1.00 0.02 1.47) = 0.028% HB ILE 95 - QD1 ILE 14 12.500% * 0.0198% (0.19 1.0 1.00 0.02 0.16) = 0.020% Peak 180 (0.96, 0.84, 53.52 ppm): 6 chemical-shift based assignments, quality = 0.888, support = 4.38, residual support = 131.6: * T QG2 ILE 14 - QD1 ILE 14 16.667% * 81.8860% (0.88 10.00 5.09 159.95) = 81.886% kept HB3 ARG+ 48 - QD1 ILE 14 16.667% * 6.5930% (0.93 1.00 1.53 6.85) = 6.593% kept QD2 LEU 82 - QD1 ILE 14 16.667% * 5.3514% (0.97 1.00 1.18 0.54) = 5.351% kept QG2 VAL 52 - QD1 ILE 14 16.667% * 3.4108% (0.96 1.00 0.76 2.01) = 3.411% kept HG3 LYS+ 56 - QD1 ILE 14 16.667% * 2.5050% (0.90 1.00 0.59 2.54) = 2.505% kept T QG2 ILE 85 - QD1 ILE 14 16.667% * 0.2539% (0.27 10.00 0.02 0.16) = 0.254% Peak 181 (1.33, 0.84, 53.52 ppm): 5 chemical-shift based assignments, quality = 0.874, support = 3.84, residual support = 104.9: * O T HG12 ILE 14 - QD1 ILE 14 20.000% * 64.8242% (0.93 10.0 10.00 5.28 159.95) = 64.824% kept T HG LEU 63 - QD1 ILE 14 20.000% * 33.4916% (0.78 1.0 10.00 1.22 3.04) = 33.492% kept QG LYS+ 60 - QD1 ILE 14 20.000% * 1.6334% (0.63 1.0 1.00 0.74 9.23) = 1.633% kept QB ALA 34 - QD1 ILE 14 20.000% * 0.0388% (0.55 1.0 1.00 0.02 0.02) = 0.039% QG2 THR 51 - QD1 ILE 14 20.000% * 0.0120% (0.17 1.0 1.00 0.02 0.29) = 0.012% Peak 182 (1.10, 0.84, 53.52 ppm): 5 chemical-shift based assignments, quality = 0.929, support = 5.06, residual support = 155.8: * O T HG13 ILE 14 - QD1 ILE 14 20.000% * 97.3801% (0.95 10.0 10.00 5.18 159.95) = 97.380% kept QG2 ILE 38 - QD1 ILE 14 20.000% * 1.4087% (0.37 1.0 1.00 0.74 0.15) = 1.409% kept QG1 VAL 52 - QD1 ILE 14 20.000% * 1.0412% (0.27 1.0 1.00 0.74 2.01) = 1.041% kept HG12 ILE 24 - QD1 ILE 14 20.000% * 0.1007% (0.98 1.0 1.00 0.02 0.62) = 0.101% HG13 ILE 95 - QD1 ILE 14 20.000% * 0.0693% (0.67 1.0 1.00 0.02 0.16) = 0.069% Peak 183 (0.83, 0.84, 53.52 ppm): 1 diagonal assignment: * QD1 ILE 14 - QD1 ILE 14 (0.90) kept Peak 184 (3.85, 3.86, 59.35 ppm): 2 diagonal assignments: * HA SER 15 - HA SER 15 (0.91) kept HA GLU- 68 - HA GLU- 68 (0.57) kept Peak 185 (4.00, 3.86, 59.35 ppm): 8 chemical-shift based assignments, quality = 0.876, support = 2.11, residual support = 15.6: * O T HB2 SER 15 - HA SER 15 12.500% * 75.5586% (0.94 10.0 10.00 2.25 18.71) = 75.559% kept T HB2 SER 15 - HA GLU- 68 12.500% * 10.7838% (0.60 1.0 10.00 0.45 0.02) = 10.784% kept HA LYS+ 72 - HA GLU- 68 12.500% * 8.2623% (0.59 1.0 1.00 3.48 17.79) = 8.262% kept HA LYS+ 72 - HA SER 15 12.500% * 5.2541% (0.94 1.0 1.00 1.40 0.49) = 5.254% kept HA1 GLY 5 - HA SER 15 12.500% * 0.0606% (0.76 1.0 1.00 0.02 0.02) = 0.061% HA1 GLY 5 - HA GLU- 68 12.500% * 0.0384% (0.48 1.0 1.00 0.02 0.02) = 0.038% HA1 GLY 58 - HA SER 15 12.500% * 0.0258% (0.32 1.0 1.00 0.02 0.02) = 0.026% HA1 GLY 58 - HA GLU- 68 12.500% * 0.0163% (0.20 1.0 1.00 0.02 0.02) = 0.016% Peak 186 (3.85, 4.00, 62.90 ppm): 4 chemical-shift based assignments, quality = 0.958, support = 1.92, residual support = 15.3: * O T HA SER 15 - HB2 SER 15 25.000% * 81.7845% (0.96 10.0 10.00 2.25 18.71) = 81.785% kept T HA GLU- 68 - HB2 SER 15 25.000% * 18.0878% (0.94 1.0 10.00 0.45 0.02) = 18.088% kept HA2 GLY 27 - HB2 SER 15 25.000% * 0.0831% (0.98 1.0 1.00 0.02 0.02) = 0.083% HA MET 101 - HB2 SER 15 25.000% * 0.0446% (0.52 1.0 1.00 0.02 0.02) = 0.045% Peak 187 (4.00, 4.00, 62.90 ppm): 1 diagonal assignment: * HB2 SER 15 - HB2 SER 15 (1.00) kept Peak 188 (4.13, 4.14, 59.15 ppm): 1 diagonal assignment: * HA GLU- 16 - HA GLU- 16 (0.90) kept Peak 189 (2.10, 4.14, 59.15 ppm): 7 chemical-shift based assignments, quality = 0.926, support = 3.9, residual support = 63.0: * O T HB2 GLU- 16 - HA GLU- 16 14.286% * 97.3327% (0.93 10.0 10.00 4.00 64.66) = 97.333% kept HG2 MET 54 - HA GLU- 16 14.286% * 2.3638% (0.98 1.0 1.00 0.46 1.53) = 2.364% kept HB3 PRO 37 - HA GLU- 16 14.286% * 0.0923% (0.88 1.0 1.00 0.02 0.02) = 0.092% QB ARG+ 88 - HA GLU- 16 14.286% * 0.0824% (0.78 1.0 1.00 0.02 0.02) = 0.082% HB2 LYS+ 11 - HA GLU- 16 14.286% * 0.0624% (0.59 1.0 1.00 0.02 0.02) = 0.062% HB2 MET 1 - HA GLU- 16 14.286% * 0.0461% (0.44 1.0 1.00 0.02 0.02) = 0.046% HG3 GLN 83 - HA GLU- 16 14.286% * 0.0204% (0.19 1.0 1.00 0.02 0.23) = 0.020% Peak 190 (1.92, 4.14, 59.15 ppm): 8 chemical-shift based assignments, quality = 0.85, support = 4.35, residual support = 64.7: * O T HB3 GLU- 16 - HA GLU- 16 12.500% * 91.5509% (0.90 10.0 10.00 4.24 64.66) = 91.551% kept HB2 LYS+ 17 - HA GLU- 16 12.500% * 8.0149% (0.27 1.0 1.00 5.81 68.39) = 8.015% kept HB2 LYS+ 60 - HA GLU- 16 12.500% * 0.0916% (0.90 1.0 1.00 0.02 0.14) = 0.092% HB VAL 71 - HA GLU- 16 12.500% * 0.0916% (0.90 1.0 1.00 0.02 0.02) = 0.092% QB GLU- 6 - HA GLU- 16 12.500% * 0.0889% (0.88 1.0 1.00 0.02 0.02) = 0.089% HB3 TYR 31 - HA GLU- 16 12.500% * 0.0642% (0.63 1.0 1.00 0.02 0.02) = 0.064% QG PRO 37 - HA GLU- 16 12.500% * 0.0642% (0.63 1.0 1.00 0.02 0.02) = 0.064% HB3 ARG+ 53 - HA GLU- 16 12.500% * 0.0338% (0.33 1.0 1.00 0.02 0.15) = 0.034% Peak 191 (2.28, 4.14, 59.15 ppm): 4 chemical-shift based assignments, quality = 0.934, support = 2.73, residual support = 36.6: * O T QG GLU- 16 - HA GLU- 16 25.000% * 54.8254% (0.90 10.0 10.00 3.79 64.66) = 54.825% kept T HB VAL 40 - HA GLU- 16 25.000% * 43.2420% (0.98 1.0 10.00 1.46 2.72) = 43.242% kept HG2 GLN 83 - HA GLU- 16 25.000% * 1.9222% (0.71 1.0 1.00 0.89 0.23) = 1.922% kept HB3 GLN 8 - HA GLU- 16 25.000% * 0.0104% (0.17 1.0 1.00 0.02 0.37) = 0.010% Peak 192 (4.13, 2.10, 30.10 ppm): 6 chemical-shift based assignments, quality = 0.897, support = 3.88, residual support = 62.8: * O T HA GLU- 16 - HB2 GLU- 16 16.667% * 96.3415% (0.90 10.0 10.00 4.00 64.66) = 96.342% kept HA LEU 26 - HB2 GLU- 16 16.667% * 3.3089% (0.75 1.0 1.00 0.83 14.14) = 3.309% kept HB THR 39 - HB2 GLU- 16 16.667% * 0.1034% (0.97 1.0 1.00 0.02 0.02) = 0.103% HA ILE 95 - HB2 GLU- 16 16.667% * 0.0905% (0.85 1.0 1.00 0.02 0.02) = 0.091% QB SER 19 - HB2 GLU- 16 16.667% * 0.0798% (0.75 1.0 1.00 0.02 1.81) = 0.080% HA GLU- 30 - HB2 GLU- 16 16.667% * 0.0758% (0.71 1.0 1.00 0.02 0.02) = 0.076% Peak 193 (2.10, 2.10, 30.10 ppm): 1 diagonal assignment: * HB2 GLU- 16 - HB2 GLU- 16 (0.93) kept Peak 194 (1.92, 2.10, 30.10 ppm): 8 chemical-shift based assignments, quality = 0.844, support = 4.34, residual support = 64.3: * O T HB3 GLU- 16 - HB2 GLU- 16 12.500% * 90.7350% (0.90 10.0 10.00 4.24 64.66) = 90.735% kept HB2 LYS+ 17 - HB2 GLU- 16 12.500% * 8.2624% (0.27 1.0 1.00 6.05 68.39) = 8.262% kept T QG PRO 37 - HB2 GLU- 16 12.500% * 0.6359% (0.63 1.0 10.00 0.02 0.02) = 0.636% HB2 LYS+ 60 - HB2 GLU- 16 12.500% * 0.0907% (0.90 1.0 1.00 0.02 0.14) = 0.091% HB VAL 71 - HB2 GLU- 16 12.500% * 0.0907% (0.90 1.0 1.00 0.02 0.02) = 0.091% QB GLU- 6 - HB2 GLU- 16 12.500% * 0.0882% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB3 TYR 31 - HB2 GLU- 16 12.500% * 0.0636% (0.63 1.0 1.00 0.02 0.02) = 0.064% HB3 ARG+ 53 - HB2 GLU- 16 12.500% * 0.0335% (0.33 1.0 1.00 0.02 0.15) = 0.034% Peak 195 (2.28, 2.10, 30.10 ppm): 4 chemical-shift based assignments, quality = 0.921, support = 2.87, residual support = 46.4: * O T QG GLU- 16 - HB2 GLU- 16 25.000% * 70.5382% (0.90 10.0 10.00 3.76 64.66) = 70.538% kept T HB VAL 40 - HB2 GLU- 16 25.000% * 27.1558% (0.98 1.0 10.00 0.71 2.72) = 27.156% kept HG2 GLN 83 - HB2 GLU- 16 25.000% * 2.2926% (0.71 1.0 1.00 0.83 0.23) = 2.293% kept HB3 GLN 8 - HB2 GLU- 16 25.000% * 0.0134% (0.17 1.0 1.00 0.02 0.37) = 0.013% Peak 196 (4.13, 1.93, 30.10 ppm): 6 chemical-shift based assignments, quality = 0.897, support = 4.13, residual support = 63.0: * O T HA GLU- 16 - HB3 GLU- 16 16.667% * 96.8868% (0.90 10.0 10.00 4.24 64.66) = 96.887% kept HA LEU 26 - HB3 GLU- 16 16.667% * 2.7617% (0.75 1.0 1.00 0.69 14.14) = 2.762% kept HB THR 39 - HB3 GLU- 16 16.667% * 0.1040% (0.97 1.0 1.00 0.02 0.02) = 0.104% HA ILE 95 - HB3 GLU- 16 16.667% * 0.0910% (0.85 1.0 1.00 0.02 0.02) = 0.091% QB SER 19 - HB3 GLU- 16 16.667% * 0.0802% (0.75 1.0 1.00 0.02 1.81) = 0.080% HA GLU- 30 - HB3 GLU- 16 16.667% * 0.0762% (0.71 1.0 1.00 0.02 0.02) = 0.076% Peak 197 (2.10, 1.93, 30.10 ppm): 7 chemical-shift based assignments, quality = 0.918, support = 4.12, residual support = 62.8: * O T HB2 GLU- 16 - HB3 GLU- 16 14.286% * 97.1181% (0.93 10.0 10.00 4.24 64.66) = 97.118% kept HG2 MET 54 - HB3 GLU- 16 14.286% * 1.7504% (0.98 1.0 1.00 0.34 1.53) = 1.750% kept T HB3 PRO 37 - HB3 GLU- 16 14.286% * 0.9207% (0.88 1.0 10.00 0.02 0.02) = 0.921% QB ARG+ 88 - HB3 GLU- 16 14.286% * 0.0822% (0.78 1.0 1.00 0.02 0.02) = 0.082% HB2 LYS+ 11 - HB3 GLU- 16 14.286% * 0.0623% (0.59 1.0 1.00 0.02 0.02) = 0.062% HB2 MET 1 - HB3 GLU- 16 14.286% * 0.0460% (0.44 1.0 1.00 0.02 0.02) = 0.046% HG3 GLN 83 - HB3 GLU- 16 14.286% * 0.0203% (0.19 1.0 1.00 0.02 0.23) = 0.020% Peak 198 (1.92, 1.93, 30.10 ppm): 1 diagonal assignment: * HB3 GLU- 16 - HB3 GLU- 16 (0.90) kept Peak 199 (2.28, 1.93, 30.10 ppm): 4 chemical-shift based assignments, quality = 0.918, support = 3.02, residual support = 49.1: * O T QG GLU- 16 - HB3 GLU- 16 25.000% * 74.8856% (0.90 10.0 10.00 3.84 64.66) = 74.886% kept T HB VAL 40 - HB3 GLU- 16 25.000% * 23.1384% (0.98 1.0 10.00 0.57 2.72) = 23.138% kept HG2 GLN 83 - HB3 GLU- 16 25.000% * 1.9618% (0.71 1.0 1.00 0.67 0.23) = 1.962% kept HB3 GLN 8 - HB3 GLU- 16 25.000% * 0.0142% (0.17 1.0 1.00 0.02 0.37) = 0.014% Peak 200 (4.13, 2.29, 36.04 ppm): 18 chemical-shift based assignments, quality = 0.829, support = 2.88, residual support = 39.3: * O T HA GLU- 16 - QG GLU- 16 5.556% * 57.0340% (0.90 10.0 10.00 3.79 64.66) = 57.034% kept T HA GLU- 16 - HB VAL 40 5.556% * 33.3983% (0.73 1.0 10.00 1.46 2.72) = 33.398% kept HB THR 39 - HB VAL 40 5.556% * 7.2653% (0.78 1.0 1.00 2.95 17.36) = 7.265% kept HA LEU 26 - QG GLU- 16 5.556% * 1.7706% (0.75 1.0 1.00 0.75 14.14) = 1.771% kept QB SER 19 - HB VAL 40 5.556% * 0.1839% (0.60 1.0 1.00 0.10 0.02) = 0.184% HB THR 39 - QG GLU- 16 5.556% * 0.0612% (0.97 1.0 1.00 0.02 0.02) = 0.061% HA ILE 95 - QG GLU- 16 5.556% * 0.0536% (0.85 1.0 1.00 0.02 0.02) = 0.054% QB SER 19 - QG GLU- 16 5.556% * 0.0472% (0.75 1.0 1.00 0.02 1.81) = 0.047% HA GLU- 30 - QG GLU- 16 5.556% * 0.0449% (0.71 1.0 1.00 0.02 0.02) = 0.045% HA ILE 95 - HB VAL 40 5.556% * 0.0431% (0.68 1.0 1.00 0.02 0.02) = 0.043% HA LEU 26 - HB VAL 40 5.556% * 0.0380% (0.60 1.0 1.00 0.02 0.02) = 0.038% HA GLU- 30 - HB VAL 40 5.556% * 0.0361% (0.57 1.0 1.00 0.02 0.02) = 0.036% HB THR 39 - QG GLU- 59 5.556% * 0.0047% (0.07 1.0 1.00 0.02 3.61) = 0.005% HA GLU- 16 - QG GLU- 59 5.556% * 0.0044% (0.07 1.0 1.00 0.02 0.02) = 0.004% HA ILE 95 - QG GLU- 59 5.556% * 0.0041% (0.06 1.0 1.00 0.02 0.02) = 0.004% QB SER 19 - QG GLU- 59 5.556% * 0.0036% (0.06 1.0 1.00 0.02 0.02) = 0.004% HA LEU 26 - QG GLU- 59 5.556% * 0.0036% (0.06 1.0 1.00 0.02 3.93) = 0.004% HA GLU- 30 - QG GLU- 59 5.556% * 0.0034% (0.05 1.0 1.00 0.02 0.02) = 0.003% Peak 201 (2.10, 2.29, 36.04 ppm): 21 chemical-shift based assignments, quality = 0.861, support = 2.88, residual support = 46.3: * O T HB2 GLU- 16 - QG GLU- 16 4.762% * 70.6209% (0.93 10.0 10.00 3.76 64.66) = 70.621% kept T HB2 GLU- 16 - HB VAL 40 4.762% * 20.1855% (0.75 1.0 10.00 0.71 2.72) = 20.185% kept HG2 MET 54 - QG GLU- 16 4.762% * 5.1456% (0.98 1.0 1.00 1.38 1.53) = 5.146% kept T HG3 GLN 83 - QG GLU- 16 4.762% * 2.6014% (0.19 1.0 10.00 0.35 0.23) = 2.601% kept HG2 MET 54 - HB VAL 40 4.762% * 0.9291% (0.79 1.0 1.00 0.31 6.95) = 0.929% T HG3 GLN 83 - HB VAL 40 4.762% * 0.1188% (0.16 1.0 10.00 0.02 0.20) = 0.119% HB3 PRO 37 - QG GLU- 16 4.762% * 0.0670% (0.88 1.0 1.00 0.02 0.02) = 0.067% QB ARG+ 88 - QG GLU- 16 4.762% * 0.0598% (0.78 1.0 1.00 0.02 0.02) = 0.060% HB3 PRO 37 - HB VAL 40 4.762% * 0.0538% (0.71 1.0 1.00 0.02 0.02) = 0.054% QB ARG+ 88 - HB VAL 40 4.762% * 0.0481% (0.63 1.0 1.00 0.02 0.02) = 0.048% HB2 LYS+ 11 - QG GLU- 16 4.762% * 0.0453% (0.59 1.0 1.00 0.02 0.02) = 0.045% HB2 LYS+ 11 - HB VAL 40 4.762% * 0.0364% (0.48 1.0 1.00 0.02 0.12) = 0.036% HB2 MET 1 - QG GLU- 16 4.762% * 0.0335% (0.44 1.0 1.00 0.02 0.02) = 0.033% HB2 MET 1 - HB VAL 40 4.762% * 0.0269% (0.35 1.0 1.00 0.02 0.02) = 0.027% HG2 MET 54 - QG GLU- 59 4.762% * 0.0057% (0.07 1.0 1.00 0.02 0.14) = 0.006% HB2 GLU- 16 - QG GLU- 59 4.762% * 0.0054% (0.07 1.0 1.00 0.02 0.02) = 0.005% HB3 PRO 37 - QG GLU- 59 4.762% * 0.0051% (0.07 1.0 1.00 0.02 0.02) = 0.005% QB ARG+ 88 - QG GLU- 59 4.762% * 0.0046% (0.06 1.0 1.00 0.02 0.02) = 0.005% HB2 LYS+ 11 - QG GLU- 59 4.762% * 0.0035% (0.05 1.0 1.00 0.02 0.02) = 0.003% HB2 MET 1 - QG GLU- 59 4.762% * 0.0026% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG3 GLN 83 - QG GLU- 59 4.762% * 0.0011% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 202 (1.92, 2.29, 36.04 ppm): 24 chemical-shift based assignments, quality = 0.83, support = 3.33, residual support = 53.6: * O T HB3 GLU- 16 - QG GLU- 16 4.167% * 75.8744% (0.90 10.0 10.00 3.84 64.66) = 75.874% kept T HB3 GLU- 16 - HB VAL 40 4.167% * 17.4059% (0.73 1.0 10.00 0.57 2.72) = 17.406% kept HB2 LYS+ 17 - QG GLU- 16 4.167% * 6.0171% (0.27 1.0 1.00 5.27 68.39) = 6.017% kept HB2 LYS+ 60 - QG GLU- 16 4.167% * 0.0759% (0.90 1.0 1.00 0.02 0.14) = 0.076% HB VAL 71 - QG GLU- 16 4.167% * 0.0759% (0.90 1.0 1.00 0.02 0.02) = 0.076% QB GLU- 6 - QG GLU- 16 4.167% * 0.0737% (0.88 1.0 1.00 0.02 0.02) = 0.074% HB VAL 71 - HB VAL 40 4.167% * 0.0610% (0.73 1.0 1.00 0.02 0.02) = 0.061% HB2 LYS+ 60 - HB VAL 40 4.167% * 0.0610% (0.73 1.0 1.00 0.02 0.02) = 0.061% QB GLU- 6 - HB VAL 40 4.167% * 0.0593% (0.71 1.0 1.00 0.02 0.02) = 0.059% QG PRO 37 - QG GLU- 16 4.167% * 0.0532% (0.63 1.0 1.00 0.02 0.02) = 0.053% HB3 TYR 31 - QG GLU- 16 4.167% * 0.0532% (0.63 1.0 1.00 0.02 0.02) = 0.053% QG PRO 37 - HB VAL 40 4.167% * 0.0428% (0.51 1.0 1.00 0.02 0.02) = 0.043% HB3 TYR 31 - HB VAL 40 4.167% * 0.0428% (0.51 1.0 1.00 0.02 0.02) = 0.043% HB3 ARG+ 53 - QG GLU- 16 4.167% * 0.0280% (0.33 1.0 1.00 0.02 0.15) = 0.028% HB3 ARG+ 53 - HB VAL 40 4.167% * 0.0225% (0.27 1.0 1.00 0.02 2.79) = 0.023% HB2 LYS+ 17 - HB VAL 40 4.167% * 0.0184% (0.22 1.0 1.00 0.02 0.10) = 0.018% HB3 GLU- 16 - QG GLU- 59 4.167% * 0.0058% (0.07 1.0 1.00 0.02 0.02) = 0.006% HB2 LYS+ 60 - QG GLU- 59 4.167% * 0.0058% (0.07 1.0 1.00 0.02 25.37) = 0.006% HB VAL 71 - QG GLU- 59 4.167% * 0.0058% (0.07 1.0 1.00 0.02 0.02) = 0.006% QB GLU- 6 - QG GLU- 59 4.167% * 0.0056% (0.07 1.0 1.00 0.02 0.02) = 0.006% HB3 TYR 31 - QG GLU- 59 4.167% * 0.0041% (0.05 1.0 1.00 0.02 0.02) = 0.004% QG PRO 37 - QG GLU- 59 4.167% * 0.0041% (0.05 1.0 1.00 0.02 0.02) = 0.004% HB3 ARG+ 53 - QG GLU- 59 4.167% * 0.0021% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB2 LYS+ 17 - QG GLU- 59 4.167% * 0.0017% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 203 (2.28, 2.29, 36.04 ppm): 2 diagonal assignments: * QG GLU- 16 - QG GLU- 16 (0.90) kept HB VAL 40 - HB VAL 40 (0.79) kept Peak 204 (4.56, 4.57, 56.61 ppm): 1 diagonal assignment: * HA LYS+ 17 - HA LYS+ 17 (0.91) kept Peak 205 (1.89, 4.57, 56.61 ppm): 7 chemical-shift based assignments, quality = 0.883, support = 6.91, residual support = 212.5: * O T HB2 LYS+ 17 - HA LYS+ 17 14.286% * 96.2695% (0.89 10.0 10.00 7.16 220.78) = 96.270% kept QB PHE 70 - HA LYS+ 17 14.286% * 3.0875% (0.84 1.0 1.00 0.68 0.02) = 3.087% kept HB3 GLU- 59 - HA LYS+ 17 14.286% * 0.3923% (0.96 1.0 1.00 0.08 0.02) = 0.392% QB LYS+ 80 - HA LYS+ 17 14.286% * 0.1034% (0.96 1.0 1.00 0.02 0.02) = 0.103% HB VAL 7 - HA LYS+ 17 14.286% * 0.1022% (0.95 1.0 1.00 0.02 0.02) = 0.102% HB VAL 71 - HA LYS+ 17 14.286% * 0.0290% (0.27 1.0 1.00 0.02 1.00) = 0.029% QB LYS+ 72 - HA LYS+ 17 14.286% * 0.0161% (0.15 1.0 1.00 0.02 1.66) = 0.016% Peak 206 (1.79, 4.57, 56.61 ppm): 8 chemical-shift based assignments, quality = 0.852, support = 5.44, residual support = 188.0: * O T HB3 LYS+ 17 - HA LYS+ 17 12.500% * 85.1152% (0.89 10.0 10.00 6.32 220.78) = 85.115% kept T HB3 LYS+ 20 - HA LYS+ 17 12.500% * 13.2510% (0.62 1.0 10.00 0.44 0.10) = 13.251% kept HD2 LYS+ 55 - HA LYS+ 17 12.500% * 1.3692% (0.81 1.0 1.00 0.36 3.66) = 1.369% kept HG LEU 82 - HA LYS+ 17 12.500% * 0.0800% (0.84 1.0 1.00 0.02 0.41) = 0.080% HG3 ARG+ 53 - HA LYS+ 17 12.500% * 0.0633% (0.66 1.0 1.00 0.02 0.02) = 0.063% HG LEU 42 - HA LYS+ 17 12.500% * 0.0522% (0.55 1.0 1.00 0.02 0.02) = 0.052% HG2 ARG+ 53 - HA LYS+ 17 12.500% * 0.0485% (0.51 1.0 1.00 0.02 0.02) = 0.049% HB ILE 95 - HA LYS+ 17 12.500% * 0.0205% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 207 (1.36, 4.57, 56.61 ppm): 6 chemical-shift based assignments, quality = 0.891, support = 4.26, residual support = 121.5: * O T HG2 LYS+ 17 - HA LYS+ 17 16.667% * 54.2987% (0.89 10.0 10.00 6.51 220.78) = 54.299% kept T QG LYS+ 55 - HA LYS+ 17 16.667% * 44.0353% (0.91 1.0 10.00 1.58 3.66) = 44.035% kept QG LYS+ 60 - HA LYS+ 17 16.667% * 1.5795% (0.33 1.0 1.00 1.57 0.38) = 1.580% kept HG2 ARG+ 88 - HA LYS+ 17 16.667% * 0.0491% (0.81 1.0 1.00 0.02 0.02) = 0.049% QB ALA 34 - HA LYS+ 17 16.667% * 0.0242% (0.40 1.0 1.00 0.02 0.02) = 0.024% HG LEU 63 - HA LYS+ 17 16.667% * 0.0131% (0.21 1.0 1.00 0.02 0.55) = 0.013% Peak 208 (1.49, 4.57, 56.61 ppm): 7 chemical-shift based assignments, quality = 0.884, support = 6.53, residual support = 211.3: * O T HG3 LYS+ 17 - HA LYS+ 17 14.286% * 95.7172% (0.89 10.0 10.00 6.80 220.78) = 95.717% kept HG2 ARG+ 48 - HA LYS+ 17 14.286% * 3.4069% (0.93 1.0 1.00 0.68 0.73) = 3.407% kept HB3 GLU- 23 - HA LYS+ 17 14.286% * 0.6562% (0.40 1.0 1.00 0.31 0.13) = 0.656% HG12 ILE 95 - HA LYS+ 17 14.286% * 0.1001% (0.93 1.0 1.00 0.02 0.02) = 0.100% HB3 PHE 84 - HA LYS+ 17 14.286% * 0.0671% (0.62 1.0 1.00 0.02 0.02) = 0.067% HG3 PRO 25 - HA LYS+ 17 14.286% * 0.0320% (0.30 1.0 1.00 0.02 5.56) = 0.032% HG3 LYS+ 72 - HA LYS+ 17 14.286% * 0.0205% (0.19 1.0 1.00 0.02 1.66) = 0.021% Peak 209 (1.67, 4.57, 56.61 ppm): 8 chemical-shift based assignments, quality = 0.892, support = 4.59, residual support = 182.1: * QD LYS+ 17 - HA LYS+ 17 12.500% * 82.1442% (0.97 5.44 220.78) = 82.144% kept HB3 LYS+ 55 - HA LYS+ 17 12.500% * 6.2668% (0.89 0.45 3.66) = 6.267% kept HG2 PRO 25 - HA LYS+ 17 12.500% * 5.8235% (0.59 0.64 5.56) = 5.824% kept HD3 LYS+ 55 - HA LYS+ 17 12.500% * 4.3189% (0.21 1.29 3.66) = 4.319% kept HB2 LYS+ 56 - HA LYS+ 17 12.500% * 0.6251% (0.47 0.09 0.02) = 0.625% HB2 LEU 43 - HA LYS+ 17 12.500% * 0.3012% (0.96 0.02 0.02) = 0.301% QD LYS+ 11 - HA LYS+ 17 12.500% * 0.2786% (0.89 0.02 0.02) = 0.279% QB PRO 12 - HA LYS+ 17 12.500% * 0.2417% (0.77 0.02 0.02) = 0.242% Peak 210 (2.96, 4.57, 56.61 ppm): 8 chemical-shift based assignments, quality = 0.935, support = 4.24, residual support = 156.1: * QE LYS+ 17 - HA LYS+ 17 12.500% * 70.6481% (0.97 5.78 220.78) = 70.648% kept HB2 ASP- 89 - HA LYS+ 17 12.500% * 8.2023% (0.93 0.70 0.02) = 8.202% kept HB3 PHE 9 - HA LYS+ 17 12.500% * 7.9087% (0.95 0.66 0.02) = 7.909% kept HD3 ARG+ 88 - HA LYS+ 17 12.500% * 3.4960% (0.62 0.44 0.02) = 3.496% kept HE3 LYS+ 60 - HA LYS+ 17 12.500% * 3.4136% (0.89 0.30 0.38) = 3.414% kept QE LYS+ 55 - HA LYS+ 17 12.500% * 3.2681% (0.87 0.30 3.66) = 3.268% kept HD3 ARG+ 48 - HA LYS+ 17 12.500% * 3.0303% (0.70 0.34 0.73) = 3.030% kept QB ASN 29 - HA LYS+ 17 12.500% * 0.0331% (0.13 0.02 0.02) = 0.033% Peak 211 (4.56, 1.90, 34.94 ppm): 1 chemical-shift based assignment, quality = 0.927, support = 7.16, residual support = 220.8: * O T HA LYS+ 17 - HB2 LYS+ 17 100.000% *100.0000% (0.93 10.0 10.00 7.16 220.78) = 100.000% kept Peak 212 (1.89, 1.90, 34.94 ppm): 1 diagonal assignment: * HB2 LYS+ 17 - HB2 LYS+ 17 (0.90) kept Peak 213 (1.79, 1.90, 34.94 ppm): 8 chemical-shift based assignments, quality = 0.895, support = 6.45, residual support = 218.4: * O T HB3 LYS+ 17 - HB2 LYS+ 17 12.500% * 98.9099% (0.90 10.0 10.00 6.53 220.78) = 98.910% kept T HB3 LYS+ 20 - HB2 LYS+ 17 12.500% * 0.6931% (0.63 1.0 10.00 0.02 0.10) = 0.693% HG LEU 82 - HB2 LYS+ 17 12.500% * 0.0929% (0.85 1.0 1.00 0.02 0.41) = 0.093% HD2 LYS+ 55 - HB2 LYS+ 17 12.500% * 0.0895% (0.82 1.0 1.00 0.02 3.66) = 0.089% HG3 ARG+ 53 - HB2 LYS+ 17 12.500% * 0.0736% (0.67 1.0 1.00 0.02 0.02) = 0.074% HG LEU 42 - HB2 LYS+ 17 12.500% * 0.0607% (0.55 1.0 1.00 0.02 0.02) = 0.061% HG2 ARG+ 53 - HB2 LYS+ 17 12.500% * 0.0564% (0.52 1.0 1.00 0.02 0.02) = 0.056% HB ILE 95 - HB2 LYS+ 17 12.500% * 0.0239% (0.22 1.0 1.00 0.02 0.02) = 0.024% Peak 214 (1.36, 1.90, 34.94 ppm): 6 chemical-shift based assignments, quality = 0.905, support = 4.65, residual support = 140.4: * O T HG2 LYS+ 17 - HB2 LYS+ 17 16.667% * 63.0196% (0.90 10.0 10.00 6.74 220.78) = 63.020% kept T QG LYS+ 55 - HB2 LYS+ 17 16.667% * 35.6046% (0.93 1.0 10.00 1.10 3.66) = 35.605% kept QG LYS+ 60 - HB2 LYS+ 17 16.667% * 1.2755% (0.33 1.0 1.00 1.10 0.38) = 1.276% kept HG2 ARG+ 88 - HB2 LYS+ 17 16.667% * 0.0570% (0.82 1.0 1.00 0.02 0.02) = 0.057% QB ALA 34 - HB2 LYS+ 17 16.667% * 0.0281% (0.40 1.0 1.00 0.02 0.02) = 0.028% HG LEU 63 - HB2 LYS+ 17 16.667% * 0.0152% (0.22 1.0 1.00 0.02 0.55) = 0.015% Peak 215 (1.49, 1.90, 34.94 ppm): 7 chemical-shift based assignments, quality = 0.904, support = 6.74, residual support = 211.7: * O T HG3 LYS+ 17 - HB2 LYS+ 17 14.286% * 95.8919% (0.90 10.0 10.00 7.00 220.78) = 95.892% kept HG2 ARG+ 48 - HB2 LYS+ 17 14.286% * 3.8453% (0.95 1.0 1.00 0.77 0.73) = 3.845% kept HG12 ILE 95 - HB2 LYS+ 17 14.286% * 0.1002% (0.95 1.0 1.00 0.02 0.02) = 0.100% HB3 PHE 84 - HB2 LYS+ 17 14.286% * 0.0672% (0.63 1.0 1.00 0.02 0.02) = 0.067% HB3 GLU- 23 - HB2 LYS+ 17 14.286% * 0.0427% (0.40 1.0 1.00 0.02 0.13) = 0.043% HG3 PRO 25 - HB2 LYS+ 17 14.286% * 0.0321% (0.30 1.0 1.00 0.02 5.56) = 0.032% HG3 LYS+ 72 - HB2 LYS+ 17 14.286% * 0.0206% (0.19 1.0 1.00 0.02 1.66) = 0.021% Peak 216 (1.67, 1.90, 34.94 ppm): 8 chemical-shift based assignments, quality = 0.955, support = 5.63, residual support = 208.8: * O QD LYS+ 17 - HB2 LYS+ 17 12.500% * 94.4653% (0.98 10.0 5.92 220.78) = 94.465% kept HG2 PRO 25 - HB2 LYS+ 17 12.500% * 2.8472% (0.59 1.0 0.99 5.56) = 2.847% kept HB3 LYS+ 55 - HB2 LYS+ 17 12.500% * 1.3603% (0.90 1.0 0.31 3.66) = 1.360% kept HD3 LYS+ 55 - HB2 LYS+ 17 12.500% * 0.7288% (0.22 1.0 0.69 3.66) = 0.729% HB2 LEU 43 - HB2 LYS+ 17 12.500% * 0.3895% (0.98 1.0 0.08 0.02) = 0.390% QD LYS+ 11 - HB2 LYS+ 17 12.500% * 0.0872% (0.90 1.0 0.02 0.02) = 0.087% QB PRO 12 - HB2 LYS+ 17 12.500% * 0.0756% (0.78 1.0 0.02 0.02) = 0.076% HB2 LYS+ 56 - HB2 LYS+ 17 12.500% * 0.0460% (0.48 1.0 0.02 0.02) = 0.046% Peak 217 (2.96, 1.90, 34.94 ppm): 8 chemical-shift based assignments, quality = 0.944, support = 4.18, residual support = 149.4: * QE LYS+ 17 - HB2 LYS+ 17 12.500% * 67.5336% (0.98 5.90 220.78) = 67.534% kept HB2 ASP- 89 - HB2 LYS+ 17 12.500% * 8.1029% (0.95 0.73 0.02) = 8.103% kept QE LYS+ 55 - HB2 LYS+ 17 12.500% * 7.1054% (0.88 0.69 3.66) = 7.105% kept HE3 LYS+ 60 - HB2 LYS+ 17 12.500% * 6.9430% (0.90 0.66 0.38) = 6.943% kept HB3 PHE 9 - HB2 LYS+ 17 12.500% * 3.8172% (0.96 0.34 0.02) = 3.817% kept HD3 ARG+ 88 - HB2 LYS+ 17 12.500% * 3.3912% (0.63 0.46 0.02) = 3.391% kept HD3 ARG+ 48 - HB2 LYS+ 17 12.500% * 3.0757% (0.71 0.37 0.73) = 3.076% kept QB ASN 29 - HB2 LYS+ 17 12.500% * 0.0310% (0.13 0.02 0.02) = 0.031% Peak 218 (4.56, 1.80, 34.94 ppm): 2 chemical-shift based assignments, quality = 0.925, support = 6.3, residual support = 220.3: * O T HA LYS+ 17 - HB3 LYS+ 17 50.000% * 99.7942% (0.93 10.0 10.00 6.32 220.78) = 99.794% kept T HA LYS+ 17 - HB3 LYS+ 20 50.000% * 0.2058% (0.19 1.0 10.00 0.02 0.10) = 0.206% Peak 219 (1.89, 1.80, 34.94 ppm): 14 chemical-shift based assignments, quality = 0.898, support = 6.36, residual support = 214.9: * O T HB2 LYS+ 17 - HB3 LYS+ 17 7.143% * 97.3233% (0.90 10.0 10.00 6.53 220.78) = 97.323% kept QB PHE 70 - HB3 LYS+ 17 7.143% * 2.0254% (0.85 1.0 1.00 0.44 0.02) = 2.025% kept T HB2 LYS+ 17 - HB3 LYS+ 20 7.143% * 0.2007% (0.19 1.0 10.00 0.02 0.10) = 0.201% HB3 GLU- 59 - HB3 LYS+ 17 7.143% * 0.1045% (0.97 1.0 1.00 0.02 0.02) = 0.104% QB LYS+ 80 - HB3 LYS+ 17 7.143% * 0.1045% (0.97 1.0 1.00 0.02 0.02) = 0.104% HB VAL 7 - HB3 LYS+ 17 7.143% * 0.1033% (0.96 1.0 1.00 0.02 0.02) = 0.103% HB VAL 71 - HB3 LYS+ 17 7.143% * 0.0293% (0.27 1.0 1.00 0.02 1.00) = 0.029% QB LYS+ 80 - HB3 LYS+ 20 7.143% * 0.0216% (0.20 1.0 1.00 0.02 0.02) = 0.022% HB3 GLU- 59 - HB3 LYS+ 20 7.143% * 0.0216% (0.20 1.0 1.00 0.02 0.02) = 0.022% HB VAL 7 - HB3 LYS+ 20 7.143% * 0.0213% (0.20 1.0 1.00 0.02 0.02) = 0.021% QB PHE 70 - HB3 LYS+ 20 7.143% * 0.0189% (0.18 1.0 1.00 0.02 0.02) = 0.019% QB LYS+ 72 - HB3 LYS+ 17 7.143% * 0.0163% (0.15 1.0 1.00 0.02 1.66) = 0.016% HB VAL 71 - HB3 LYS+ 20 7.143% * 0.0060% (0.06 1.0 1.00 0.02 0.02) = 0.006% QB LYS+ 72 - HB3 LYS+ 20 7.143% * 0.0034% (0.03 1.0 1.00 0.02 1.04) = 0.003% Peak 220 (1.79, 1.80, 34.94 ppm): 2 diagonal assignments: * HB3 LYS+ 17 - HB3 LYS+ 17 (0.90) kept HB3 LYS+ 20 - HB3 LYS+ 20 (0.13) kept Peak 221 (1.36, 1.80, 34.94 ppm): 12 chemical-shift based assignments, quality = 0.898, support = 4.46, residual support = 152.1: * O T HG2 LYS+ 17 - HB3 LYS+ 17 8.333% * 68.3782% (0.90 10.0 10.00 6.14 220.78) = 68.378% kept T QG LYS+ 55 - HB3 LYS+ 17 8.333% * 30.1247% (0.93 1.0 10.00 0.86 3.66) = 30.125% kept QG LYS+ 60 - HB3 LYS+ 17 8.333% * 0.8851% (0.33 1.0 1.00 0.70 0.38) = 0.885% HG2 ARG+ 88 - HB3 LYS+ 17 8.333% * 0.2519% (0.82 1.0 1.00 0.08 0.02) = 0.252% T QG LYS+ 55 - HB3 LYS+ 20 8.333% * 0.1445% (0.19 1.0 10.00 0.02 0.02) = 0.145% T HG2 LYS+ 17 - HB3 LYS+ 20 8.333% * 0.1410% (0.19 1.0 10.00 0.02 0.10) = 0.141% QB ALA 34 - HB3 LYS+ 17 8.333% * 0.0305% (0.40 1.0 1.00 0.02 0.02) = 0.030% HG LEU 63 - HB3 LYS+ 17 8.333% * 0.0165% (0.22 1.0 1.00 0.02 0.55) = 0.016% HG2 ARG+ 88 - HB3 LYS+ 20 8.333% * 0.0128% (0.17 1.0 1.00 0.02 0.02) = 0.013% QB ALA 34 - HB3 LYS+ 20 8.333% * 0.0063% (0.08 1.0 1.00 0.02 0.02) = 0.006% QG LYS+ 60 - HB3 LYS+ 20 8.333% * 0.0052% (0.07 1.0 1.00 0.02 0.02) = 0.005% HG LEU 63 - HB3 LYS+ 20 8.333% * 0.0034% (0.05 1.0 1.00 0.02 1.02) = 0.003% Peak 222 (1.49, 1.80, 34.94 ppm): 14 chemical-shift based assignments, quality = 0.901, support = 6.15, residual support = 213.2: * O T HG3 LYS+ 17 - HB3 LYS+ 17 7.143% * 96.5551% (0.90 10.0 10.00 6.35 220.78) = 96.555% kept HG2 ARG+ 48 - HB3 LYS+ 17 7.143% * 2.9058% (0.95 1.0 1.00 0.58 0.73) = 2.906% kept T HG3 LYS+ 17 - HB3 LYS+ 20 7.143% * 0.1991% (0.19 1.0 10.00 0.02 0.10) = 0.199% HG12 ILE 95 - HB3 LYS+ 17 7.143% * 0.1009% (0.95 1.0 1.00 0.02 0.02) = 0.101% HB3 PHE 84 - HB3 LYS+ 17 7.143% * 0.0677% (0.63 1.0 1.00 0.02 0.02) = 0.068% HB3 GLU- 23 - HB3 LYS+ 17 7.143% * 0.0430% (0.40 1.0 1.00 0.02 0.13) = 0.043% HG3 PRO 25 - HB3 LYS+ 17 7.143% * 0.0323% (0.30 1.0 1.00 0.02 5.56) = 0.032% HG12 ILE 95 - HB3 LYS+ 20 7.143% * 0.0208% (0.20 1.0 1.00 0.02 0.02) = 0.021% HG2 ARG+ 48 - HB3 LYS+ 20 7.143% * 0.0208% (0.20 1.0 1.00 0.02 0.02) = 0.021% HG3 LYS+ 72 - HB3 LYS+ 17 7.143% * 0.0207% (0.19 1.0 1.00 0.02 1.66) = 0.021% HB3 PHE 84 - HB3 LYS+ 20 7.143% * 0.0140% (0.13 1.0 1.00 0.02 0.02) = 0.014% HB3 GLU- 23 - HB3 LYS+ 20 7.143% * 0.0089% (0.08 1.0 1.00 0.02 1.05) = 0.009% HG3 PRO 25 - HB3 LYS+ 20 7.143% * 0.0067% (0.06 1.0 1.00 0.02 0.73) = 0.007% HG3 LYS+ 72 - HB3 LYS+ 20 7.143% * 0.0043% (0.04 1.0 1.00 0.02 1.04) = 0.004% Peak 223 (1.67, 1.80, 34.94 ppm): 16 chemical-shift based assignments, quality = 0.962, support = 5.18, residual support = 211.3: * O QD LYS+ 17 - HB3 LYS+ 17 6.250% * 95.6099% (0.98 10.0 5.39 220.78) = 95.610% kept HG2 PRO 25 - HB3 LYS+ 17 6.250% * 2.4781% (0.59 1.0 0.85 5.56) = 2.478% kept HB3 LYS+ 55 - HB3 LYS+ 17 6.250% * 1.1681% (0.90 1.0 0.26 3.66) = 1.168% kept HB2 LEU 43 - HB3 LYS+ 17 6.250% * 0.3937% (0.98 1.0 0.08 0.02) = 0.394% QD LYS+ 11 - HB3 LYS+ 17 6.250% * 0.0883% (0.90 1.0 0.02 0.02) = 0.088% QB PRO 12 - HB3 LYS+ 17 6.250% * 0.0766% (0.78 1.0 0.02 0.02) = 0.077% HB2 LYS+ 56 - HB3 LYS+ 17 6.250% * 0.0465% (0.48 1.0 0.02 0.02) = 0.047% HD3 LYS+ 55 - HB3 LYS+ 17 6.250% * 0.0213% (0.22 1.0 0.02 3.66) = 0.021% QD LYS+ 17 - HB3 LYS+ 20 6.250% * 0.0197% (0.20 1.0 0.02 0.10) = 0.020% HB2 LEU 43 - HB3 LYS+ 20 6.250% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% QD LYS+ 11 - HB3 LYS+ 20 6.250% * 0.0182% (0.19 1.0 0.02 0.02) = 0.018% HB3 LYS+ 55 - HB3 LYS+ 20 6.250% * 0.0182% (0.19 1.0 0.02 0.02) = 0.018% QB PRO 12 - HB3 LYS+ 20 6.250% * 0.0158% (0.16 1.0 0.02 0.02) = 0.016% HG2 PRO 25 - HB3 LYS+ 20 6.250% * 0.0120% (0.12 1.0 0.02 0.73) = 0.012% HB2 LYS+ 56 - HB3 LYS+ 20 6.250% * 0.0096% (0.10 1.0 0.02 0.02) = 0.010% HD3 LYS+ 55 - HB3 LYS+ 20 6.250% * 0.0044% (0.05 1.0 0.02 0.02) = 0.004% Peak 224 (2.96, 1.80, 34.94 ppm): 16 chemical-shift based assignments, quality = 0.937, support = 3.89, residual support = 151.1: * QE LYS+ 17 - HB3 LYS+ 17 6.250% * 68.3060% (0.98 5.46 220.78) = 68.306% kept HB2 ASP- 89 - HB3 LYS+ 17 6.250% * 8.7177% (0.95 0.72 0.02) = 8.718% kept QE LYS+ 55 - HB3 LYS+ 17 6.250% * 6.4267% (0.88 0.57 3.66) = 6.427% kept HE3 LYS+ 60 - HB3 LYS+ 17 6.250% * 6.2031% (0.90 0.54 0.38) = 6.203% kept HB3 PHE 9 - HB3 LYS+ 17 6.250% * 4.0804% (0.96 0.33 0.02) = 4.080% kept HD3 ARG+ 88 - HB3 LYS+ 17 6.250% * 2.7957% (0.63 0.35 0.02) = 2.796% kept HD3 ARG+ 48 - HB3 LYS+ 17 6.250% * 2.2188% (0.71 0.24 0.73) = 2.219% kept QB ASN 29 - HB3 LYS+ 17 6.250% * 0.9281% (0.13 0.55 0.02) = 0.928% QE LYS+ 17 - HB3 LYS+ 20 6.250% * 0.0516% (0.20 0.02 0.10) = 0.052% HB3 PHE 9 - HB3 LYS+ 20 6.250% * 0.0505% (0.20 0.02 0.02) = 0.051% HB2 ASP- 89 - HB3 LYS+ 20 6.250% * 0.0498% (0.20 0.02 0.02) = 0.050% HE3 LYS+ 60 - HB3 LYS+ 20 6.250% * 0.0476% (0.19 0.02 0.02) = 0.048% QE LYS+ 55 - HB3 LYS+ 20 6.250% * 0.0462% (0.18 0.02 0.02) = 0.046% HD3 ARG+ 48 - HB3 LYS+ 20 6.250% * 0.0374% (0.15 0.02 0.02) = 0.037% HD3 ARG+ 88 - HB3 LYS+ 20 6.250% * 0.0334% (0.13 0.02 0.02) = 0.033% QB ASN 29 - HB3 LYS+ 20 6.250% * 0.0070% (0.03 0.02 0.02) = 0.007% Peak 225 (4.56, 1.37, 25.04 ppm): 2 chemical-shift based assignments, quality = 0.833, support = 5.9, residual support = 194.0: * O T HA LYS+ 17 - HG2 LYS+ 17 50.000% * 87.6718% (0.93 10.0 10.00 6.51 220.78) = 87.672% kept T HA LYS+ 17 - QG LYS+ 55 50.000% * 12.3282% (0.16 1.0 10.00 1.58 3.66) = 12.328% kept Peak 226 (1.89, 1.37, 25.04 ppm): 14 chemical-shift based assignments, quality = 0.839, support = 6.0, residual support = 193.4: * O T HB2 LYS+ 17 - HG2 LYS+ 17 7.143% * 87.4767% (0.90 10.0 10.00 6.74 220.78) = 87.477% kept T HB2 LYS+ 17 - QG LYS+ 55 7.143% * 8.5694% (0.16 1.0 10.00 1.10 3.66) = 8.569% kept HB VAL 7 - HG2 LYS+ 17 7.143% * 2.2400% (0.96 1.0 1.00 0.48 0.02) = 2.240% kept QB PHE 70 - HG2 LYS+ 17 7.143% * 1.4133% (0.85 1.0 1.00 0.34 0.02) = 1.413% kept QB LYS+ 80 - HG2 LYS+ 17 7.143% * 0.0939% (0.97 1.0 1.00 0.02 0.02) = 0.094% HB3 GLU- 59 - HG2 LYS+ 17 7.143% * 0.0939% (0.97 1.0 1.00 0.02 0.02) = 0.094% HB VAL 71 - HG2 LYS+ 17 7.143% * 0.0263% (0.27 1.0 1.00 0.02 1.00) = 0.026% HB3 GLU- 59 - QG LYS+ 55 7.143% * 0.0167% (0.17 1.0 1.00 0.02 0.13) = 0.017% QB LYS+ 80 - QG LYS+ 55 7.143% * 0.0167% (0.17 1.0 1.00 0.02 0.02) = 0.017% HB VAL 7 - QG LYS+ 55 7.143% * 0.0165% (0.17 1.0 1.00 0.02 0.02) = 0.017% QB LYS+ 72 - HG2 LYS+ 17 7.143% * 0.0146% (0.15 1.0 1.00 0.02 1.66) = 0.015% QB PHE 70 - QG LYS+ 55 7.143% * 0.0146% (0.15 1.0 1.00 0.02 0.50) = 0.015% HB VAL 71 - QG LYS+ 55 7.143% * 0.0047% (0.05 1.0 1.00 0.02 2.80) = 0.005% QB LYS+ 72 - QG LYS+ 55 7.143% * 0.0026% (0.03 1.0 1.00 0.02 0.10) = 0.003% Peak 227 (1.79, 1.37, 25.04 ppm): 16 chemical-shift based assignments, quality = 0.75, support = 5.62, residual support = 188.0: * O T HB3 LYS+ 17 - HG2 LYS+ 17 6.250% * 79.7584% (0.90 10.0 10.00 6.14 220.78) = 79.758% kept O HD2 LYS+ 55 - QG LYS+ 55 6.250% * 12.8231% (0.15 10.0 1.00 5.17 91.44) = 12.823% kept T HB3 LYS+ 17 - QG LYS+ 55 6.250% * 6.0927% (0.16 1.0 10.00 0.86 3.66) = 6.093% kept T HB3 LYS+ 20 - HG2 LYS+ 17 6.250% * 0.5589% (0.63 1.0 10.00 0.02 0.10) = 0.559% HG LEU 82 - QG LYS+ 55 6.250% * 0.3168% (0.15 1.0 1.00 0.48 4.95) = 0.317% T HB3 LYS+ 20 - QG LYS+ 55 6.250% * 0.0993% (0.11 1.0 10.00 0.02 0.02) = 0.099% HG LEU 82 - HG2 LYS+ 17 6.250% * 0.0749% (0.85 1.0 1.00 0.02 0.41) = 0.075% HD2 LYS+ 55 - HG2 LYS+ 17 6.250% * 0.0722% (0.82 1.0 1.00 0.02 3.66) = 0.072% HG3 ARG+ 53 - HG2 LYS+ 17 6.250% * 0.0593% (0.67 1.0 1.00 0.02 0.02) = 0.059% HG LEU 42 - HG2 LYS+ 17 6.250% * 0.0489% (0.55 1.0 1.00 0.02 0.02) = 0.049% HG2 ARG+ 53 - HG2 LYS+ 17 6.250% * 0.0455% (0.52 1.0 1.00 0.02 0.02) = 0.045% HB ILE 95 - HG2 LYS+ 17 6.250% * 0.0192% (0.22 1.0 1.00 0.02 0.02) = 0.019% HG3 ARG+ 53 - QG LYS+ 55 6.250% * 0.0105% (0.12 1.0 1.00 0.02 1.11) = 0.011% HG LEU 42 - QG LYS+ 55 6.250% * 0.0087% (0.10 1.0 1.00 0.02 0.21) = 0.009% HG2 ARG+ 53 - QG LYS+ 55 6.250% * 0.0081% (0.09 1.0 1.00 0.02 1.11) = 0.008% HB ILE 95 - QG LYS+ 55 6.250% * 0.0034% (0.04 1.0 1.00 0.02 0.27) = 0.003% Peak 228 (1.36, 1.37, 25.04 ppm): 2 diagonal assignments: * HG2 LYS+ 17 - HG2 LYS+ 17 (0.90) kept QG LYS+ 55 - QG LYS+ 55 (0.16) kept Peak 229 (1.49, 1.37, 25.04 ppm): 14 chemical-shift based assignments, quality = 0.839, support = 5.98, residual support = 194.4: * O T HG3 LYS+ 17 - HG2 LYS+ 17 7.143% * 87.9189% (0.90 10.0 10.00 6.67 220.78) = 87.919% kept T HG3 LYS+ 17 - QG LYS+ 55 7.143% * 8.6517% (0.16 1.0 10.00 1.11 3.66) = 8.652% kept HG2 ARG+ 48 - HG2 LYS+ 17 7.143% * 3.1293% (0.95 1.0 1.00 0.68 0.73) = 3.129% kept HG12 ILE 95 - HG2 LYS+ 17 7.143% * 0.0919% (0.95 1.0 1.00 0.02 0.02) = 0.092% HB3 PHE 84 - HG2 LYS+ 17 7.143% * 0.0616% (0.63 1.0 1.00 0.02 0.02) = 0.062% HB3 GLU- 23 - HG2 LYS+ 17 7.143% * 0.0392% (0.40 1.0 1.00 0.02 0.13) = 0.039% HG3 PRO 25 - HG2 LYS+ 17 7.143% * 0.0294% (0.30 1.0 1.00 0.02 5.56) = 0.029% HG3 LYS+ 72 - HG2 LYS+ 17 7.143% * 0.0188% (0.19 1.0 1.00 0.02 1.66) = 0.019% HG12 ILE 95 - QG LYS+ 55 7.143% * 0.0163% (0.17 1.0 1.00 0.02 0.27) = 0.016% HG2 ARG+ 48 - QG LYS+ 55 7.143% * 0.0163% (0.17 1.0 1.00 0.02 0.02) = 0.016% HB3 PHE 84 - QG LYS+ 55 7.143% * 0.0109% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB3 GLU- 23 - QG LYS+ 55 7.143% * 0.0070% (0.07 1.0 1.00 0.02 0.42) = 0.007% HG3 PRO 25 - QG LYS+ 55 7.143% * 0.0052% (0.05 1.0 1.00 0.02 0.02) = 0.005% HG3 LYS+ 72 - QG LYS+ 55 7.143% * 0.0033% (0.03 1.0 1.00 0.02 0.10) = 0.003% Peak 230 (1.67, 1.37, 25.04 ppm): 16 chemical-shift based assignments, quality = 0.814, support = 5.58, residual support = 188.0: * O QD LYS+ 17 - HG2 LYS+ 17 6.250% * 78.1686% (0.98 10.0 5.91 220.78) = 78.169% kept O HB3 LYS+ 55 - QG LYS+ 55 6.250% * 12.8214% (0.16 10.0 5.36 91.44) = 12.821% kept O HD3 LYS+ 55 - QG LYS+ 55 6.250% * 3.0922% (0.04 10.0 5.04 91.44) = 3.092% kept HG2 PRO 25 - HG2 LYS+ 17 6.250% * 2.1765% (0.59 1.0 0.92 5.56) = 2.176% kept HB2 LYS+ 56 - QG LYS+ 55 6.250% * 1.7858% (0.08 1.0 5.28 40.06) = 1.786% kept HB3 LYS+ 55 - HG2 LYS+ 17 6.250% * 1.3131% (0.90 1.0 0.36 3.66) = 1.313% kept HB2 LEU 43 - HG2 LYS+ 17 6.250% * 0.3921% (0.98 1.0 0.10 0.02) = 0.392% QD LYS+ 11 - HG2 LYS+ 17 6.250% * 0.0722% (0.90 1.0 0.02 0.02) = 0.072% QB PRO 12 - HG2 LYS+ 17 6.250% * 0.0626% (0.78 1.0 0.02 0.02) = 0.063% HB2 LYS+ 56 - HG2 LYS+ 17 6.250% * 0.0380% (0.48 1.0 0.02 0.02) = 0.038% HD3 LYS+ 55 - HG2 LYS+ 17 6.250% * 0.0174% (0.22 1.0 0.02 3.66) = 0.017% QD LYS+ 17 - QG LYS+ 55 6.250% * 0.0139% (0.17 1.0 0.02 3.66) = 0.014% HB2 LEU 43 - QG LYS+ 55 6.250% * 0.0139% (0.17 1.0 0.02 2.24) = 0.014% QD LYS+ 11 - QG LYS+ 55 6.250% * 0.0128% (0.16 1.0 0.02 0.02) = 0.013% QB PRO 12 - QG LYS+ 55 6.250% * 0.0111% (0.14 1.0 0.02 0.02) = 0.011% HG2 PRO 25 - QG LYS+ 55 6.250% * 0.0084% (0.11 1.0 0.02 0.02) = 0.008% Peak 231 (2.96, 1.37, 25.04 ppm): 16 chemical-shift based assignments, quality = 0.846, support = 4.55, residual support = 176.9: * O QE LYS+ 17 - HG2 LYS+ 17 6.250% * 75.1447% (0.98 10.0 5.29 220.78) = 75.145% kept O QE LYS+ 55 - QG LYS+ 55 6.250% * 11.9744% (0.16 10.0 4.13 91.44) = 11.974% kept HB2 ASP- 89 - HG2 LYS+ 17 6.250% * 3.6917% (0.95 1.0 1.02 0.02) = 3.692% kept HB3 PHE 9 - HG2 LYS+ 17 6.250% * 2.1515% (0.96 1.0 0.58 0.02) = 2.152% kept QE LYS+ 55 - HG2 LYS+ 17 6.250% * 2.0118% (0.88 1.0 0.60 3.66) = 2.012% kept HE3 LYS+ 60 - HG2 LYS+ 17 6.250% * 1.9340% (0.90 1.0 0.56 0.38) = 1.934% kept QB ASN 29 - HG2 LYS+ 17 6.250% * 0.7626% (0.13 1.0 1.50 0.02) = 0.763% HD3 ARG+ 48 - HG2 LYS+ 17 6.250% * 0.6376% (0.71 1.0 0.23 0.73) = 0.638% HB2 ASP- 89 - QG LYS+ 55 6.250% * 0.6288% (0.17 1.0 0.98 3.73) = 0.629% HD3 ARG+ 88 - HG2 LYS+ 17 6.250% * 0.4250% (0.63 1.0 0.17 0.02) = 0.425% HB3 PHE 9 - QG LYS+ 55 6.250% * 0.2839% (0.17 1.0 0.43 0.02) = 0.284% QE LYS+ 17 - QG LYS+ 55 6.250% * 0.2399% (0.17 1.0 0.36 3.66) = 0.240% QB ASN 29 - QG LYS+ 55 6.250% * 0.0834% (0.02 1.0 0.92 0.26) = 0.083% HE3 LYS+ 60 - QG LYS+ 55 6.250% * 0.0123% (0.16 1.0 0.02 0.02) = 0.012% HD3 ARG+ 48 - QG LYS+ 55 6.250% * 0.0097% (0.13 1.0 0.02 0.02) = 0.010% HD3 ARG+ 88 - QG LYS+ 55 6.250% * 0.0086% (0.11 1.0 0.02 0.02) = 0.009% Peak 232 (4.56, 1.50, 25.04 ppm): 1 chemical-shift based assignment, quality = 0.927, support = 6.8, residual support = 220.8: * O T HA LYS+ 17 - HG3 LYS+ 17 100.000% *100.0000% (0.93 10.0 10.00 6.80 220.78) = 100.000% kept Peak 233 (1.89, 1.50, 25.04 ppm): 7 chemical-shift based assignments, quality = 0.9, support = 6.84, residual support = 215.5: * O T HB2 LYS+ 17 - HG3 LYS+ 17 14.286% * 97.5861% (0.90 10.0 10.00 7.00 220.78) = 97.586% kept QB PHE 70 - HG3 LYS+ 17 14.286% * 2.0550% (0.85 1.0 1.00 0.45 0.02) = 2.055% kept QB LYS+ 80 - HG3 LYS+ 17 14.286% * 0.1048% (0.97 1.0 1.00 0.02 0.02) = 0.105% HB3 GLU- 59 - HG3 LYS+ 17 14.286% * 0.1048% (0.97 1.0 1.00 0.02 0.02) = 0.105% HB VAL 7 - HG3 LYS+ 17 14.286% * 0.1036% (0.96 1.0 1.00 0.02 0.02) = 0.104% HB VAL 71 - HG3 LYS+ 17 14.286% * 0.0294% (0.27 1.0 1.00 0.02 1.00) = 0.029% QB LYS+ 72 - HG3 LYS+ 17 14.286% * 0.0163% (0.15 1.0 1.00 0.02 1.66) = 0.016% Peak 234 (1.79, 1.50, 25.04 ppm): 8 chemical-shift based assignments, quality = 0.893, support = 6.27, residual support = 217.9: * O T HB3 LYS+ 17 - HG3 LYS+ 17 12.500% * 98.6980% (0.90 10.0 10.00 6.35 220.78) = 98.698% kept T HB3 LYS+ 20 - HG3 LYS+ 17 12.500% * 0.6917% (0.63 1.0 10.00 0.02 0.10) = 0.692% T HB ILE 95 - HG3 LYS+ 17 12.500% * 0.2380% (0.22 1.0 10.00 0.02 0.02) = 0.238% HG LEU 82 - HG3 LYS+ 17 12.500% * 0.0927% (0.85 1.0 1.00 0.02 0.41) = 0.093% HD2 LYS+ 55 - HG3 LYS+ 17 12.500% * 0.0893% (0.82 1.0 1.00 0.02 3.66) = 0.089% HG3 ARG+ 53 - HG3 LYS+ 17 12.500% * 0.0734% (0.67 1.0 1.00 0.02 0.02) = 0.073% HG LEU 42 - HG3 LYS+ 17 12.500% * 0.0605% (0.55 1.0 1.00 0.02 0.02) = 0.061% HG2 ARG+ 53 - HG3 LYS+ 17 12.500% * 0.0563% (0.52 1.0 1.00 0.02 0.02) = 0.056% Peak 235 (1.36, 1.50, 25.04 ppm): 6 chemical-shift based assignments, quality = 0.904, support = 4.6, residual support = 140.2: * O T HG2 LYS+ 17 - HG3 LYS+ 17 16.667% * 62.9249% (0.90 10.0 10.00 6.67 220.78) = 62.925% kept T QG LYS+ 55 - HG3 LYS+ 17 16.667% * 35.7120% (0.93 1.0 10.00 1.11 3.66) = 35.712% kept QG LYS+ 60 - HG3 LYS+ 17 16.667% * 1.0338% (0.33 1.0 1.00 0.89 0.38) = 1.034% kept QB ALA 34 - HG3 LYS+ 17 16.667% * 0.2573% (0.40 1.0 1.00 0.18 0.02) = 0.257% HG2 ARG+ 88 - HG3 LYS+ 17 16.667% * 0.0569% (0.82 1.0 1.00 0.02 0.02) = 0.057% HG LEU 63 - HG3 LYS+ 17 16.667% * 0.0152% (0.22 1.0 1.00 0.02 0.55) = 0.015% Peak 236 (1.49, 1.50, 25.04 ppm): 1 diagonal assignment: * HG3 LYS+ 17 - HG3 LYS+ 17 (0.90) kept Peak 237 (1.67, 1.50, 25.04 ppm): 8 chemical-shift based assignments, quality = 0.962, support = 5.67, residual support = 210.1: * O QD LYS+ 17 - HG3 LYS+ 17 12.500% * 95.0788% (0.98 10.0 5.93 220.78) = 95.079% kept HG2 PRO 25 - HG3 LYS+ 17 12.500% * 2.8391% (0.59 1.0 0.98 5.56) = 2.839% kept HB3 LYS+ 55 - HG3 LYS+ 17 12.500% * 1.4574% (0.90 1.0 0.33 3.66) = 1.457% kept HB2 LEU 43 - HG3 LYS+ 17 12.500% * 0.3933% (0.98 1.0 0.08 0.02) = 0.393% QD LYS+ 11 - HG3 LYS+ 17 12.500% * 0.0878% (0.90 1.0 0.02 0.02) = 0.088% QB PRO 12 - HG3 LYS+ 17 12.500% * 0.0761% (0.78 1.0 0.02 0.02) = 0.076% HB2 LYS+ 56 - HG3 LYS+ 17 12.500% * 0.0463% (0.48 1.0 0.02 0.02) = 0.046% HD3 LYS+ 55 - HG3 LYS+ 17 12.500% * 0.0212% (0.22 1.0 0.02 3.66) = 0.021% Peak 238 (2.96, 1.50, 25.04 ppm): 8 chemical-shift based assignments, quality = 0.962, support = 4.85, residual support = 188.1: * O QE LYS+ 17 - HG3 LYS+ 17 12.500% * 85.1598% (0.98 10.0 5.56 220.78) = 85.160% kept HB2 ASP- 89 - HG3 LYS+ 17 12.500% * 4.4306% (0.95 1.0 1.08 0.02) = 4.431% kept HB3 PHE 9 - HG3 LYS+ 17 12.500% * 2.7809% (0.96 1.0 0.67 0.02) = 2.781% kept QE LYS+ 55 - HG3 LYS+ 17 12.500% * 2.5135% (0.88 1.0 0.66 3.66) = 2.513% kept HE3 LYS+ 60 - HG3 LYS+ 17 12.500% * 2.4481% (0.90 1.0 0.62 0.38) = 2.448% kept HD3 ARG+ 48 - HG3 LYS+ 17 12.500% * 1.9688% (0.71 1.0 0.64 0.73) = 1.969% kept HD3 ARG+ 88 - HG3 LYS+ 17 12.500% * 0.6867% (0.63 1.0 0.25 0.02) = 0.687% QB ASN 29 - HG3 LYS+ 17 12.500% * 0.0115% (0.13 1.0 0.02 0.02) = 0.012% Peak 239 (5.99, 6.00, 57.88 ppm): 1 diagonal assignment: * HA SER 18 - HA SER 18 (0.90) kept Peak 240 (4.51, 6.00, 57.88 ppm): 8 chemical-shift based assignments, quality = 0.91, support = 3.9, residual support = 42.0: * O T HB2 SER 18 - HA SER 18 12.500% * 94.7639% (0.93 10.0 10.00 4.03 44.36) = 94.764% kept HA LEU 22 - HA SER 18 12.500% * 5.0101% (0.63 1.0 1.00 1.55 0.24) = 5.010% kept HA MET 1 - HA SER 18 12.500% * 0.0727% (0.71 1.0 1.00 0.02 0.02) = 0.073% HA VAL 7 - HA SER 18 12.500% * 0.0608% (0.59 1.0 1.00 0.02 0.02) = 0.061% HA LYS+ 60 - HA SER 18 12.500% * 0.0376% (0.37 1.0 1.00 0.02 0.83) = 0.038% HA ASN 74 - HA SER 18 12.500% * 0.0198% (0.19 1.0 1.00 0.02 0.02) = 0.020% HA ASN 100 - HA SER 18 12.500% * 0.0175% (0.17 1.0 1.00 0.02 0.02) = 0.018% HA ASN 69 - HA SER 18 12.500% * 0.0175% (0.17 1.0 1.00 0.02 0.02) = 0.018% Peak 241 (3.18, 6.00, 57.88 ppm): 4 chemical-shift based assignments, quality = 0.878, support = 3.31, residual support = 44.3: * O T HB3 SER 18 - HA SER 18 25.000% * 99.8312% (0.88 10.0 10.00 3.31 44.36) = 99.831% kept HD3 ARG+ 90 - HA SER 18 25.000% * 0.1113% (0.98 1.0 1.00 0.02 0.02) = 0.111% HB2 ASN 69 - HA SER 18 25.000% * 0.0380% (0.33 1.0 1.00 0.02 0.02) = 0.038% QB HIS 99 - HA SER 18 25.000% * 0.0195% (0.17 1.0 1.00 0.02 0.02) = 0.019% Peak 242 (5.99, 4.52, 64.60 ppm): 1 chemical-shift based assignment, quality = 0.891, support = 4.03, residual support = 44.4: * O T HA SER 18 - HB2 SER 18 100.000% *100.0000% (0.89 10.0 10.00 4.03 44.36) = 100.000% kept Peak 243 (4.51, 4.52, 64.60 ppm): 1 diagonal assignment: * HB2 SER 18 - HB2 SER 18 (0.91) kept Peak 244 (3.18, 4.52, 64.60 ppm): 4 chemical-shift based assignments, quality = 0.864, support = 3.4, residual support = 44.3: * O T HB3 SER 18 - HB2 SER 18 25.000% * 99.8312% (0.87 10.0 10.00 3.41 44.36) = 99.831% kept HD3 ARG+ 90 - HB2 SER 18 25.000% * 0.1113% (0.97 1.0 1.00 0.02 0.02) = 0.111% HB2 ASN 69 - HB2 SER 18 25.000% * 0.0380% (0.33 1.0 1.00 0.02 0.02) = 0.038% QB HIS 99 - HB2 SER 18 25.000% * 0.0195% (0.17 1.0 1.00 0.02 0.02) = 0.019% Peak 245 (5.99, 3.19, 64.60 ppm): 1 chemical-shift based assignment, quality = 0.915, support = 3.31, residual support = 44.4: * O T HA SER 18 - HB3 SER 18 100.000% *100.0000% (0.91 10.0 10.00 3.31 44.36) = 100.000% kept Peak 246 (4.51, 3.19, 64.60 ppm): 8 chemical-shift based assignments, quality = 0.924, support = 3.36, residual support = 43.7: * O T HB2 SER 18 - HB3 SER 18 12.500% * 98.5013% (0.94 10.0 10.00 3.41 44.36) = 98.501% kept T HA MET 1 - HB3 SER 18 12.500% * 0.7561% (0.72 1.0 10.00 0.02 0.02) = 0.756% T HA LYS+ 60 - HB3 SER 18 12.500% * 0.3908% (0.37 1.0 10.00 0.02 0.83) = 0.391% T HA ASN 69 - HB3 SER 18 12.500% * 0.1824% (0.17 1.0 10.00 0.02 0.02) = 0.182% HA LEU 22 - HB3 SER 18 12.500% * 0.0674% (0.64 1.0 1.00 0.02 0.24) = 0.067% HA VAL 7 - HB3 SER 18 12.500% * 0.0632% (0.60 1.0 1.00 0.02 0.02) = 0.063% HA ASN 74 - HB3 SER 18 12.500% * 0.0206% (0.20 1.0 1.00 0.02 0.02) = 0.021% HA ASN 100 - HB3 SER 18 12.500% * 0.0182% (0.17 1.0 1.00 0.02 0.02) = 0.018% Peak 247 (3.18, 3.19, 64.60 ppm): 1 diagonal assignment: * HB3 SER 18 - HB3 SER 18 (0.89) kept Peak 248 (4.16, 4.17, 63.23 ppm): 2 diagonal assignments: * HA SER 19 - HA SER 19 (0.91) kept HA PRO 25 - HA PRO 25 (0.13) kept Peak 249 (4.14, 4.17, 63.23 ppm): 12 chemical-shift based assignments, quality = 0.865, support = 1.7, residual support = 5.93: * O T QB SER 19 - HA SER 19 8.333% * 94.0706% (0.91 10.0 10.00 1.69 5.70) = 94.071% kept HA LEU 26 - HA PRO 25 8.333% * 2.5993% (0.13 1.0 1.00 3.85 21.19) = 2.599% kept T QB SER 19 - HA PRO 25 8.333% * 2.2132% (0.13 1.0 10.00 0.33 0.76) = 2.213% kept HA GLU- 16 - HA SER 19 8.333% * 0.7423% (0.94 1.0 1.00 0.15 1.81) = 0.742% HA ILE 95 - HA SER 19 8.333% * 0.0973% (0.94 1.0 1.00 0.02 0.02) = 0.097% HA LEU 26 - HA SER 19 8.333% * 0.0941% (0.91 1.0 1.00 0.02 0.02) = 0.094% HB THR 39 - HA SER 19 8.333% * 0.0922% (0.89 1.0 1.00 0.02 0.02) = 0.092% HA GLU- 30 - HA SER 19 8.333% * 0.0437% (0.42 1.0 1.00 0.02 0.02) = 0.044% HA GLU- 16 - HA PRO 25 8.333% * 0.0140% (0.14 1.0 1.00 0.02 0.92) = 0.014% HA ILE 95 - HA PRO 25 8.333% * 0.0140% (0.14 1.0 1.00 0.02 0.02) = 0.014% HB THR 39 - HA PRO 25 8.333% * 0.0132% (0.13 1.0 1.00 0.02 0.02) = 0.013% HA GLU- 30 - HA PRO 25 8.333% * 0.0063% (0.06 1.0 1.00 0.02 0.02) = 0.006% Peak 250 (4.16, 4.15, 61.83 ppm): 1 diagonal assignment: QB SER 19 - QB SER 19 (0.32) kept Reference assignment not found: HA SER 19 - QB SER 19 Peak 251 (4.14, 4.15, 61.83 ppm): 1 diagonal assignment: * QB SER 19 - QB SER 19 (0.91) kept Peak 252 (4.73, 4.74, 56.69 ppm): 2 diagonal assignments: * HA LYS+ 20 - HA LYS+ 20 (0.91) kept HA ARG+ 53 - HA ARG+ 53 (0.52) kept Peak 253 (2.00, 4.74, 56.69 ppm): 12 chemical-shift based assignments, quality = 0.78, support = 2.92, residual support = 24.1: * O HB2 LYS+ 20 - HA LYS+ 20 8.333% * 82.9500% (0.89 10.0 2.78 22.75) = 82.950% kept O HB2 ARG+ 53 - HA ARG+ 53 8.333% * 6.8973% (0.07 10.0 5.54 65.93) = 6.897% kept HB VAL 65 - HA LYS+ 20 8.333% * 3.9801% (0.55 1.0 1.56 0.15) = 3.980% kept HG3 MET 54 - HA ARG+ 53 8.333% * 3.4899% (0.17 1.0 4.44 19.87) = 3.490% kept HB2 LYS+ 20 - HA ARG+ 53 8.333% * 1.2878% (0.51 1.0 0.55 0.02) = 1.288% kept HB3 GLN 83 - HA LYS+ 20 8.333% * 1.0522% (0.21 1.0 1.05 0.36) = 1.052% kept HG3 MET 54 - HA LYS+ 20 8.333% * 0.2163% (0.30 1.0 0.16 0.02) = 0.216% HB3 MET 1 - HA LYS+ 20 8.333% * 0.0473% (0.51 1.0 0.02 0.02) = 0.047% HB VAL 65 - HA ARG+ 53 8.333% * 0.0289% (0.31 1.0 0.02 1.28) = 0.029% HB3 MET 1 - HA ARG+ 53 8.333% * 0.0268% (0.29 1.0 0.02 0.02) = 0.027% HB2 ARG+ 53 - HA LYS+ 20 8.333% * 0.0122% (0.13 1.0 0.02 0.02) = 0.012% HB3 GLN 83 - HA ARG+ 53 8.333% * 0.0113% (0.12 1.0 0.02 0.17) = 0.011% Peak 254 (1.77, 4.74, 56.69 ppm): 20 chemical-shift based assignments, quality = 0.681, support = 2.83, residual support = 31.9: * O T HB3 LYS+ 20 - HA LYS+ 20 5.000% * 53.7756% (0.89 10.0 10.00 2.48 22.75) = 53.776% kept O T HG3 ARG+ 53 - HA ARG+ 53 5.000% * 29.6309% (0.49 10.0 10.00 4.85 65.93) = 29.631% kept T HD2 LYS+ 55 - HA ARG+ 53 5.000% * 8.1345% (0.42 1.0 10.00 0.64 1.11) = 8.135% kept T HG LEU 82 - HA ARG+ 53 5.000% * 2.7047% (0.40 1.0 10.00 0.23 0.02) = 2.705% kept T HB3 LYS+ 20 - HA ARG+ 53 5.000% * 1.3971% (0.51 1.0 10.00 0.09 0.02) = 1.397% kept T HB2 LYS+ 55 - HA ARG+ 53 5.000% * 1.2357% (0.38 1.0 10.00 0.11 1.11) = 1.236% kept HB VAL 61 - HA LYS+ 20 5.000% * 0.9879% (0.74 1.0 1.00 0.44 0.02) = 0.988% T HG3 ARG+ 53 - HA LYS+ 20 5.000% * 0.5224% (0.87 1.0 10.00 0.02 0.02) = 0.522% T HD2 LYS+ 55 - HA LYS+ 20 5.000% * 0.4452% (0.74 1.0 10.00 0.02 0.02) = 0.445% T HG LEU 82 - HA LYS+ 20 5.000% * 0.4230% (0.70 1.0 10.00 0.02 0.02) = 0.423% T HB2 LYS+ 55 - HA LYS+ 20 5.000% * 0.4002% (0.66 1.0 10.00 0.02 0.02) = 0.400% T HB3 LYS+ 17 - HA LYS+ 20 5.000% * 0.1297% (0.21 1.0 10.00 0.02 0.10) = 0.130% T HB3 LYS+ 17 - HA ARG+ 53 5.000% * 0.0736% (0.12 1.0 10.00 0.02 0.02) = 0.074% HB ILE 95 - HA LYS+ 20 5.000% * 0.0538% (0.89 1.0 1.00 0.02 0.02) = 0.054% HB ILE 95 - HA ARG+ 53 5.000% * 0.0305% (0.51 1.0 1.00 0.02 0.02) = 0.030% HB VAL 61 - HA ARG+ 53 5.000% * 0.0252% (0.42 1.0 1.00 0.02 0.69) = 0.025% HB ILE 14 - HA LYS+ 20 5.000% * 0.0102% (0.17 1.0 1.00 0.02 0.02) = 0.010% HB3 PRO 25 - HA LYS+ 20 5.000% * 0.0090% (0.15 1.0 1.00 0.02 0.73) = 0.009% HB ILE 14 - HA ARG+ 53 5.000% * 0.0058% (0.10 1.0 1.00 0.02 0.02) = 0.006% HB3 PRO 25 - HA ARG+ 53 5.000% * 0.0051% (0.08 1.0 1.00 0.02 0.02) = 0.005% Peak 255 (3.01, 4.74, 56.69 ppm): 14 chemical-shift based assignments, quality = 0.826, support = 1.35, residual support = 9.03: * QE LYS+ 20 - HA LYS+ 20 7.143% * 37.8520% (0.97 1.79 22.75) = 37.852% kept HB3 ASN 69 - HA LYS+ 20 7.143% * 26.9321% (0.74 1.67 0.94) = 26.932% kept HB2 TYR 97 - HA LYS+ 20 7.143% * 17.7619% (0.95 0.86 0.50) = 17.762% kept QE LYS+ 72 - HA LYS+ 20 7.143% * 7.3575% (0.62 0.54 1.04) = 7.358% kept QE LYS+ 11 - HA LYS+ 20 7.143% * 4.9495% (0.59 0.39 0.02) = 4.950% kept HB3 ASN 69 - HA ARG+ 53 7.143% * 3.1100% (0.42 0.34 0.02) = 3.110% kept QE LYS+ 20 - HA ARG+ 53 7.143% * 1.0981% (0.55 0.09 0.02) = 1.098% kept HB2 TYR 97 - HA ARG+ 53 7.143% * 0.2350% (0.54 0.02 0.02) = 0.235% HA ARG+ 88 - HA LYS+ 20 7.143% * 0.1738% (0.40 0.02 0.02) = 0.174% QE LYS+ 72 - HA ARG+ 53 7.143% * 0.1551% (0.35 0.02 0.02) = 0.155% QE LYS+ 11 - HA ARG+ 53 7.143% * 0.1454% (0.33 0.02 0.02) = 0.145% HA ARG+ 88 - HA ARG+ 53 7.143% * 0.0986% (0.23 0.02 1.26) = 0.099% HE2 LYS+ 60 - HA LYS+ 20 7.143% * 0.0836% (0.19 0.02 0.02) = 0.084% HE2 LYS+ 60 - HA ARG+ 53 7.143% * 0.0474% (0.11 0.02 0.02) = 0.047% Peak 256 (4.73, 2.00, 35.12 ppm): 6 chemical-shift based assignments, quality = 0.923, support = 2.67, residual support = 21.6: * O HA LYS+ 20 - HB2 LYS+ 20 16.667% * 94.8638% (0.93 10.0 2.78 22.75) = 94.864% kept HA ARG+ 53 - HB2 LYS+ 20 16.667% * 2.5966% (0.93 1.0 0.55 0.02) = 2.597% kept HA ALA 34 - HB2 LYS+ 20 16.667% * 2.4094% (0.82 1.0 0.58 0.02) = 2.409% kept HA HIS 99 - HB2 LYS+ 20 16.667% * 0.0949% (0.93 1.0 0.02 0.02) = 0.095% HA ILE 85 - HB2 LYS+ 20 16.667% * 0.0198% (0.19 1.0 0.02 0.02) = 0.020% HA LYS+ 55 - HB2 LYS+ 20 16.667% * 0.0155% (0.15 1.0 0.02 0.02) = 0.015% Peak 257 (2.00, 2.00, 35.12 ppm): 1 diagonal assignment: * HB2 LYS+ 20 - HB2 LYS+ 20 (0.90) kept Peak 258 (1.77, 2.00, 35.12 ppm): 10 chemical-shift based assignments, quality = 0.888, support = 2.65, residual support = 22.0: * O T HB3 LYS+ 20 - HB2 LYS+ 20 10.000% * 96.7192% (0.90 10.0 10.00 2.73 22.75) = 96.719% kept HB VAL 61 - HB2 LYS+ 20 10.000% * 1.7768% (0.75 1.0 1.00 0.44 0.02) = 1.777% kept HD2 LYS+ 55 - HB2 LYS+ 20 10.000% * 0.6307% (0.75 1.0 1.00 0.16 0.02) = 0.631% HB2 LYS+ 55 - HB2 LYS+ 20 10.000% * 0.3388% (0.67 1.0 1.00 0.09 0.02) = 0.339% T HB3 LYS+ 17 - HB2 LYS+ 20 10.000% * 0.2333% (0.22 1.0 10.00 0.02 0.10) = 0.233% HB ILE 95 - HB2 LYS+ 20 10.000% * 0.0967% (0.90 1.0 1.00 0.02 0.02) = 0.097% HG3 ARG+ 53 - HB2 LYS+ 20 10.000% * 0.0940% (0.88 1.0 1.00 0.02 0.02) = 0.094% HG LEU 82 - HB2 LYS+ 20 10.000% * 0.0761% (0.71 1.0 1.00 0.02 0.02) = 0.076% HB ILE 14 - HB2 LYS+ 20 10.000% * 0.0183% (0.17 1.0 1.00 0.02 0.02) = 0.018% HB3 PRO 25 - HB2 LYS+ 20 10.000% * 0.0162% (0.15 1.0 1.00 0.02 0.73) = 0.016% Peak 259 (3.01, 2.00, 35.12 ppm): 7 chemical-shift based assignments, quality = 0.853, support = 1.52, residual support = 10.2: * QE LYS+ 20 - HB2 LYS+ 20 14.286% * 43.1522% (0.98 2.17 22.75) = 43.152% kept QE LYS+ 72 - HB2 LYS+ 20 14.286% * 17.4064% (0.63 1.35 1.04) = 17.406% kept HB2 TYR 97 - HB2 LYS+ 20 14.286% * 17.1177% (0.96 0.88 0.50) = 17.118% kept HB3 ASN 69 - HB2 LYS+ 20 14.286% * 15.6370% (0.75 1.03 0.94) = 15.637% kept QE LYS+ 11 - HB2 LYS+ 20 14.286% * 6.4442% (0.59 0.53 0.02) = 6.444% kept HA ARG+ 88 - HB2 LYS+ 20 14.286% * 0.1638% (0.40 0.02 0.02) = 0.164% HE2 LYS+ 60 - HB2 LYS+ 20 14.286% * 0.0788% (0.19 0.02 0.02) = 0.079% Peak 260 (4.73, 1.78, 35.12 ppm): 12 chemical-shift based assignments, quality = 0.92, support = 2.46, residual support = 22.6: * O HA LYS+ 20 - HB3 LYS+ 20 8.333% * 99.1737% (0.93 10.0 2.48 22.75) = 99.174% kept HA ARG+ 53 - HB3 LYS+ 20 8.333% * 0.4543% (0.93 1.0 0.09 0.02) = 0.454% HA HIS 99 - HB3 LYS+ 20 8.333% * 0.0992% (0.93 1.0 0.02 0.02) = 0.099% HA ALA 34 - HB3 LYS+ 20 8.333% * 0.0876% (0.82 1.0 0.02 0.02) = 0.088% HA HIS 99 - HB3 LYS+ 17 8.333% * 0.0349% (0.33 1.0 0.02 0.02) = 0.035% HA LYS+ 20 - HB3 LYS+ 17 8.333% * 0.0349% (0.33 1.0 0.02 0.10) = 0.035% HA ARG+ 53 - HB3 LYS+ 17 8.333% * 0.0349% (0.33 1.0 0.02 0.02) = 0.035% HA ALA 34 - HB3 LYS+ 17 8.333% * 0.0308% (0.29 1.0 0.02 0.02) = 0.031% HA ILE 85 - HB3 LYS+ 20 8.333% * 0.0207% (0.19 1.0 0.02 0.02) = 0.021% HA LYS+ 55 - HB3 LYS+ 20 8.333% * 0.0162% (0.15 1.0 0.02 0.02) = 0.016% HA ILE 85 - HB3 LYS+ 17 8.333% * 0.0073% (0.07 1.0 0.02 0.02) = 0.007% HA LYS+ 55 - HB3 LYS+ 17 8.333% * 0.0057% (0.05 1.0 0.02 3.66) = 0.006% Peak 261 (2.00, 1.78, 35.12 ppm): 12 chemical-shift based assignments, quality = 0.893, support = 2.67, residual support = 22.1: * O HB2 LYS+ 20 - HB3 LYS+ 20 8.333% * 96.9162% (0.90 10.0 2.73 22.75) = 96.916% kept HB VAL 65 - HB3 LYS+ 20 8.333% * 2.8596% (0.55 1.0 0.96 0.15) = 2.860% kept HB3 MET 1 - HB3 LYS+ 20 8.333% * 0.0552% (0.52 1.0 0.02 0.02) = 0.055% HB2 LYS+ 20 - HB3 LYS+ 17 8.333% * 0.0341% (0.32 1.0 0.02 0.10) = 0.034% HG3 MET 54 - HB3 LYS+ 20 8.333% * 0.0324% (0.30 1.0 0.02 0.02) = 0.032% HB3 GLN 83 - HB3 LYS+ 20 8.333% * 0.0234% (0.22 1.0 0.02 0.36) = 0.023% HB VAL 65 - HB3 LYS+ 17 8.333% * 0.0209% (0.20 1.0 0.02 0.15) = 0.021% HB3 MET 1 - HB3 LYS+ 17 8.333% * 0.0194% (0.18 1.0 0.02 0.02) = 0.019% HB2 ARG+ 53 - HB3 LYS+ 20 8.333% * 0.0142% (0.13 1.0 0.02 0.02) = 0.014% HG3 MET 54 - HB3 LYS+ 17 8.333% * 0.0114% (0.11 1.0 0.02 3.05) = 0.011% HB3 GLN 83 - HB3 LYS+ 17 8.333% * 0.0082% (0.08 1.0 0.02 0.95) = 0.008% HB2 ARG+ 53 - HB3 LYS+ 17 8.333% * 0.0050% (0.05 1.0 0.02 0.02) = 0.005% Peak 262 (1.77, 1.78, 35.12 ppm): 2 diagonal assignments: * HB3 LYS+ 20 - HB3 LYS+ 20 (0.90) kept HB3 LYS+ 17 - HB3 LYS+ 17 (0.08) kept Peak 263 (3.01, 1.78, 35.12 ppm): 14 chemical-shift based assignments, quality = 0.847, support = 1.38, residual support = 9.68: * QE LYS+ 20 - HB3 LYS+ 20 7.143% * 40.4831% (0.98 1.86 22.75) = 40.483% kept HB3 ASN 69 - HB3 LYS+ 20 7.143% * 24.4274% (0.75 1.47 0.94) = 24.427% kept HB2 TYR 97 - HB3 LYS+ 20 7.143% * 18.4886% (0.96 0.87 0.50) = 18.489% kept QE LYS+ 72 - HB3 LYS+ 20 7.143% * 12.0091% (0.63 0.85 1.04) = 12.009% kept HB3 ASN 69 - HB3 LYS+ 17 7.143% * 2.5331% (0.26 0.43 0.80) = 2.533% kept QE LYS+ 11 - HB3 LYS+ 20 7.143% * 1.2040% (0.59 0.09 0.02) = 1.204% kept HA ARG+ 88 - HB3 LYS+ 20 7.143% * 0.1793% (0.40 0.02 0.02) = 0.179% QE LYS+ 20 - HB3 LYS+ 17 7.143% * 0.1533% (0.34 0.02 0.10) = 0.153% HB2 TYR 97 - HB3 LYS+ 17 7.143% * 0.1503% (0.34 0.02 0.02) = 0.150% QE LYS+ 72 - HB3 LYS+ 17 7.143% * 0.0992% (0.22 0.02 1.66) = 0.099% QE LYS+ 11 - HB3 LYS+ 17 7.143% * 0.0930% (0.21 0.02 0.02) = 0.093% HE2 LYS+ 60 - HB3 LYS+ 20 7.143% * 0.0863% (0.19 0.02 0.02) = 0.086% HA ARG+ 88 - HB3 LYS+ 17 7.143% * 0.0630% (0.14 0.02 0.02) = 0.063% HE2 LYS+ 60 - HB3 LYS+ 17 7.143% * 0.0303% (0.07 0.02 0.38) = 0.030% Peak 264 (4.96, 4.97, 57.00 ppm): 2 diagonal assignments: * HA SER 21 - HA SER 21 (0.91) kept HA PHE 84 - HA PHE 84 (0.30) kept Peak 266 (4.96, 3.90, 66.29 ppm): 2 chemical-shift based assignments, quality = 0.959, support = 1.76, residual support = 10.5: * O T HA SER 21 - HB2 SER 21 50.000% * 76.8920% (0.96 10.0 10.00 2.11 13.50) = 76.892% kept T HA PHE 84 - HB2 SER 21 50.000% * 23.1080% (0.94 1.0 10.00 0.61 0.43) = 23.108% kept Peak 268 (4.52, 4.53, 52.45 ppm): 1 diagonal assignment: * HA LEU 22 - HA LEU 22 (0.91) kept Peak 269 (0.64, 4.53, 52.45 ppm): 5 chemical-shift based assignments, quality = 0.854, support = 5.48, residual support = 167.8: * O T HB2 LEU 22 - HA LEU 22 20.000% * 97.3202% (0.87 10.0 10.00 5.60 172.34) = 97.320% kept QG2 ILE 24 - HA LEU 22 20.000% * 2.4926% (0.47 1.0 1.00 0.94 3.21) = 2.493% kept QD1 ILE 96 - HA LEU 22 20.000% * 0.0869% (0.77 1.0 1.00 0.02 1.73) = 0.087% QD1 LEU 42 - HA LEU 22 20.000% * 0.0788% (0.70 1.0 1.00 0.02 4.50) = 0.079% QD2 LEU 42 - HA LEU 22 20.000% * 0.0215% (0.19 1.0 1.00 0.02 4.50) = 0.021% Peak 270 (-0.48, 4.53, 52.45 ppm): 1 chemical-shift based assignment, quality = 0.891, support = 6.4, residual support = 172.3: * O T HB3 LEU 22 - HA LEU 22 100.000% *100.0000% (0.89 10.0 10.00 6.40 172.34) = 100.000% kept Peak 271 (4.52, 0.65, 43.84 ppm): 4 chemical-shift based assignments, quality = 0.937, support = 5.48, residual support = 168.3: * O T HA LEU 22 - HB2 LEU 22 25.000% * 97.6745% (0.94 10.0 10.00 5.60 172.34) = 97.675% kept HB2 SER 18 - HB2 LEU 22 25.000% * 2.2580% (0.96 1.0 1.00 0.45 0.24) = 2.258% kept HA MET 1 - HB2 LEU 22 25.000% * 0.0388% (0.37 1.0 1.00 0.02 0.02) = 0.039% HA VAL 7 - HB2 LEU 22 25.000% * 0.0287% (0.28 1.0 1.00 0.02 0.02) = 0.029% Peak 272 (0.64, 0.65, 43.84 ppm): 1 diagonal assignment: * HB2 LEU 22 - HB2 LEU 22 (0.89) kept Peak 273 (-0.48, 0.65, 43.84 ppm): 1 chemical-shift based assignment, quality = 0.915, support = 5.48, residual support = 172.3: * O T HB3 LEU 22 - HB2 LEU 22 100.000% *100.0000% (0.91 10.0 10.00 5.48 172.34) = 100.000% kept Peak 274 (4.52, -0.47, 43.84 ppm): 4 chemical-shift based assignments, quality = 0.927, support = 6.24, residual support = 167.9: * O T HA LEU 22 - HB3 LEU 22 25.000% * 97.4115% (0.93 10.0 10.00 6.40 172.34) = 97.411% kept HB2 SER 18 - HB3 LEU 22 25.000% * 2.5213% (0.95 1.0 1.00 0.51 0.24) = 2.521% kept HA MET 1 - HB3 LEU 22 25.000% * 0.0386% (0.37 1.0 1.00 0.02 0.02) = 0.039% HA VAL 7 - HB3 LEU 22 25.000% * 0.0286% (0.27 1.0 1.00 0.02 0.02) = 0.029% Peak 275 (0.64, -0.47, 43.84 ppm): 5 chemical-shift based assignments, quality = 0.867, support = 5.35, residual support = 167.6: * O T HB2 LEU 22 - HB3 LEU 22 20.000% * 97.2225% (0.88 10.0 10.00 5.48 172.34) = 97.223% kept QG2 ILE 24 - HB3 LEU 22 20.000% * 2.5905% (0.48 1.0 1.00 0.98 3.21) = 2.590% kept QD1 ILE 96 - HB3 LEU 22 20.000% * 0.0868% (0.78 1.0 1.00 0.02 1.73) = 0.087% QD1 LEU 42 - HB3 LEU 22 20.000% * 0.0787% (0.71 1.0 1.00 0.02 4.50) = 0.079% QD2 LEU 42 - HB3 LEU 22 20.000% * 0.0215% (0.19 1.0 1.00 0.02 4.50) = 0.021% Peak 276 (-0.48, -0.47, 43.84 ppm): 1 diagonal assignment: * HB3 LEU 22 - HB3 LEU 22 (0.90) kept Peak 278 (1.71, 3.52, 55.45 ppm): 8 chemical-shift based assignments, quality = 0.919, support = 4.97, residual support = 58.5: * O HB2 GLU- 23 - HA GLU- 23 12.500% * 94.7503% (0.94 10.0 5.22 61.70) = 94.750% kept QD LYS+ 60 - HA GLU- 23 12.500% * 2.4856% (0.83 1.0 0.59 0.02) = 2.486% kept HD3 LYS+ 55 - HA GLU- 23 12.500% * 1.7220% (0.56 1.0 0.61 0.42) = 1.722% kept HG2 PRO 25 - HA GLU- 23 12.500% * 0.7740% (0.20 1.0 0.78 0.02) = 0.774% QB GLU- 30 - HA GLU- 23 12.500% * 0.0993% (0.98 1.0 0.02 0.02) = 0.099% HG LEU 26 - HA GLU- 23 12.500% * 0.0898% (0.89 1.0 0.02 0.02) = 0.090% HG12 ILE 38 - HA GLU- 23 12.500% * 0.0449% (0.44 1.0 0.02 0.02) = 0.045% HB2 ARG+ 48 - HA GLU- 23 12.500% * 0.0342% (0.34 1.0 0.02 0.02) = 0.034% Peak 279 (1.46, 3.52, 55.45 ppm): 6 chemical-shift based assignments, quality = 0.887, support = 4.81, residual support = 58.1: * O T HB3 GLU- 23 - HA GLU- 23 16.667% * 93.8289% (0.91 10.0 10.00 5.03 61.70) = 93.829% kept HB2 LEU 63 - HA GLU- 23 16.667% * 5.1515% (0.56 1.0 1.00 1.79 4.86) = 5.151% kept HG3 LYS+ 72 - HA GLU- 23 16.667% * 0.8617% (0.99 1.0 1.00 0.17 1.03) = 0.862% HB3 PHE 84 - HA GLU- 23 16.667% * 0.0738% (0.72 1.0 1.00 0.02 0.02) = 0.074% HB3 ASN 74 - HA GLU- 23 16.667% * 0.0495% (0.48 1.0 1.00 0.02 0.02) = 0.049% HG2 ARG+ 48 - HA GLU- 23 16.667% * 0.0347% (0.34 1.0 1.00 0.02 0.02) = 0.035% Peak 281 (1.71, 1.72, 30.87 ppm): 1 diagonal assignment: * HB2 GLU- 23 - HB2 GLU- 23 (0.91) kept Peak 282 (1.46, 1.72, 30.87 ppm): 6 chemical-shift based assignments, quality = 0.823, support = 3.05, residual support = 53.8: * O T HB3 GLU- 23 - HB2 GLU- 23 16.667% * 87.0627% (0.89 10.0 10.00 3.40 61.70) = 87.063% kept T HG2 ARG+ 48 - HB2 GLU- 23 16.667% * 10.3255% (0.33 1.0 10.00 0.64 0.02) = 10.325% kept HB2 LEU 63 - HB2 GLU- 23 16.667% * 2.4033% (0.55 1.0 1.00 0.90 4.86) = 2.403% kept HG3 LYS+ 72 - HB2 GLU- 23 16.667% * 0.0941% (0.96 1.0 1.00 0.02 1.03) = 0.094% HB3 PHE 84 - HB2 GLU- 23 16.667% * 0.0685% (0.70 1.0 1.00 0.02 0.02) = 0.068% HB3 ASN 74 - HB2 GLU- 23 16.667% * 0.0459% (0.47 1.0 1.00 0.02 0.02) = 0.046% Peak 283 (3.51, 1.47, 30.87 ppm): 5 chemical-shift based assignments, quality = 0.876, support = 4.96, residual support = 60.8: * O T HA GLU- 23 - HB3 GLU- 23 20.000% * 98.5314% (0.88 10.0 10.00 5.03 61.70) = 98.531% kept HA LEU 76 - HB3 GLU- 23 20.000% * 1.2984% (0.75 1.0 1.00 0.31 0.96) = 1.298% kept HB3 SER 15 - HB3 GLU- 23 20.000% * 0.0798% (0.71 1.0 1.00 0.02 0.02) = 0.080% QB SER 49 - HB3 GLU- 23 20.000% * 0.0493% (0.44 1.0 1.00 0.02 1.90) = 0.049% HD3 PRO 37 - HB3 GLU- 23 20.000% * 0.0412% (0.37 1.0 1.00 0.02 0.43) = 0.041% Peak 284 (1.71, 1.47, 30.87 ppm): 8 chemical-shift based assignments, quality = 0.916, support = 3.29, residual support = 59.4: * O T HB2 GLU- 23 - HB3 GLU- 23 12.500% * 96.3054% (0.93 10.0 10.00 3.40 61.70) = 96.305% kept HD3 LYS+ 55 - HB3 GLU- 23 12.500% * 1.7399% (0.55 1.0 1.00 0.60 0.42) = 1.740% kept QD LYS+ 60 - HB3 GLU- 23 12.500% * 1.6621% (0.82 1.0 1.00 0.39 0.02) = 1.662% kept QB GLU- 30 - HB3 GLU- 23 12.500% * 0.1009% (0.97 1.0 1.00 0.02 0.02) = 0.101% HG LEU 26 - HB3 GLU- 23 12.500% * 0.0913% (0.88 1.0 1.00 0.02 0.02) = 0.091% HG12 ILE 38 - HB3 GLU- 23 12.500% * 0.0456% (0.44 1.0 1.00 0.02 0.02) = 0.046% HB2 ARG+ 48 - HB3 GLU- 23 12.500% * 0.0347% (0.33 1.0 1.00 0.02 0.02) = 0.035% HG2 PRO 25 - HB3 GLU- 23 12.500% * 0.0201% (0.19 1.0 1.00 0.02 0.02) = 0.020% Peak 285 (1.46, 1.47, 30.87 ppm): 1 diagonal assignment: * HB3 GLU- 23 - HB3 GLU- 23 (0.90) kept Peak 286 (4.16, 4.17, 63.62 ppm): 2 diagonal assignments: * HA PRO 25 - HA PRO 25 (0.90) kept HA SER 19 - HA SER 19 (0.13) kept Peak 287 (2.24, 4.17, 63.62 ppm): 8 chemical-shift based assignments, quality = 0.911, support = 4.01, residual support = 96.2: * O T HB2 PRO 25 - HA PRO 25 12.500% * 97.4534% (0.93 10.0 10.00 4.10 98.73) = 97.453% kept T HB2 PRO 25 - HA SER 19 12.500% * 1.4446% (0.13 1.0 10.00 0.21 0.76) = 1.445% kept HB3 GLN 8 - HA PRO 25 12.500% * 1.0527% (0.48 1.0 1.00 0.42 0.58) = 1.053% kept QG GLU- 77 - HA PRO 25 12.500% * 0.0229% (0.22 1.0 1.00 0.02 0.02) = 0.023% HB2 MET 101 - HA PRO 25 12.500% * 0.0139% (0.13 1.0 1.00 0.02 0.02) = 0.014% HB3 GLN 8 - HA SER 19 12.500% * 0.0072% (0.07 1.0 1.00 0.02 0.02) = 0.007% QG GLU- 77 - HA SER 19 12.500% * 0.0033% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB2 MET 101 - HA SER 19 12.500% * 0.0020% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 288 (1.74, 4.17, 63.62 ppm): 18 chemical-shift based assignments, quality = 0.825, support = 4.46, residual support = 88.8: * O T HB3 PRO 25 - HA PRO 25 5.556% * 89.8597% (0.90 10.0 10.00 4.90 98.73) = 89.860% kept T HB3 PRO 25 - HA SER 19 5.556% * 4.6923% (0.13 1.0 10.00 0.73 0.76) = 4.692% kept T HB2 ARG+ 48 - HA SER 19 5.556% * 4.1894% (0.13 1.0 10.00 0.63 0.55) = 4.189% kept T HB2 ARG+ 48 - HA PRO 25 5.556% * 0.9208% (0.93 1.0 10.00 0.02 0.02) = 0.921% HB ILE 14 - HA PRO 25 5.556% * 0.0873% (0.88 1.0 1.00 0.02 0.81) = 0.087% HG12 ILE 38 - HA PRO 25 5.556% * 0.0844% (0.85 1.0 1.00 0.02 0.02) = 0.084% HB2 LYS+ 55 - HA PRO 25 5.556% * 0.0332% (0.33 1.0 1.00 0.02 0.02) = 0.033% HB2 GLU- 23 - HA PRO 25 5.556% * 0.0332% (0.33 1.0 1.00 0.02 0.02) = 0.033% HB VAL 61 - HA PRO 25 5.556% * 0.0271% (0.27 1.0 1.00 0.02 0.02) = 0.027% HB ILE 95 - HA PRO 25 5.556% * 0.0150% (0.15 1.0 1.00 0.02 0.02) = 0.015% QB GLU- 30 - HA PRO 25 5.556% * 0.0150% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB ILE 14 - HA SER 19 5.556% * 0.0125% (0.13 1.0 1.00 0.02 2.15) = 0.013% HG12 ILE 38 - HA SER 19 5.556% * 0.0121% (0.12 1.0 1.00 0.02 2.02) = 0.012% HB2 LYS+ 55 - HA SER 19 5.556% * 0.0048% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB2 GLU- 23 - HA SER 19 5.556% * 0.0048% (0.05 1.0 1.00 0.02 1.26) = 0.005% HB VAL 61 - HA SER 19 5.556% * 0.0039% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB ILE 95 - HA SER 19 5.556% * 0.0022% (0.02 1.0 1.00 0.02 0.02) = 0.002% QB GLU- 30 - HA SER 19 5.556% * 0.0022% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 289 (4.16, 2.25, 32.25 ppm): 7 chemical-shift based assignments, quality = 0.821, support = 4.05, residual support = 88.2: * O T HA PRO 25 - HB2 PRO 25 14.286% * 87.4760% (0.89 10.0 10.00 4.10 98.73) = 87.476% kept HA LEU 26 - HB2 PRO 25 14.286% * 8.7810% (0.40 1.0 1.00 4.51 21.19) = 8.781% kept HA GLU- 16 - HB2 PRO 25 14.286% * 2.6901% (0.24 1.0 1.00 2.28 0.92) = 2.690% kept T HA SER 19 - HB2 PRO 25 14.286% * 0.8748% (0.89 1.0 10.00 0.02 0.76) = 0.875% HA ILE 95 - HB2 PRO 25 14.286% * 0.1245% (0.30 1.0 1.00 0.09 0.02) = 0.125% QB SER 19 - HB2 PRO 25 14.286% * 0.0390% (0.40 1.0 1.00 0.02 0.76) = 0.039% HB THR 39 - HB2 PRO 25 14.286% * 0.0146% (0.15 1.0 1.00 0.02 0.02) = 0.015% Peak 290 (2.24, 2.25, 32.25 ppm): 1 diagonal assignment: * HB2 PRO 25 - HB2 PRO 25 (0.91) kept Peak 291 (1.74, 2.25, 32.25 ppm): 9 chemical-shift based assignments, quality = 0.878, support = 3.91, residual support = 93.5: * O T HB3 PRO 25 - HB2 PRO 25 11.111% * 94.6519% (0.89 10.0 10.00 4.09 98.73) = 94.652% kept HB ILE 14 - HB2 PRO 25 11.111% * 4.0168% (0.87 1.0 1.00 0.87 0.81) = 4.017% kept T HB2 ARG+ 48 - HB2 PRO 25 11.111% * 0.9699% (0.91 1.0 10.00 0.02 0.02) = 0.970% T HB ILE 95 - HB2 PRO 25 11.111% * 0.1582% (0.15 1.0 10.00 0.02 0.02) = 0.158% HG12 ILE 38 - HB2 PRO 25 11.111% * 0.0889% (0.84 1.0 1.00 0.02 0.02) = 0.089% HB2 LYS+ 55 - HB2 PRO 25 11.111% * 0.0350% (0.33 1.0 1.00 0.02 0.02) = 0.035% HB2 GLU- 23 - HB2 PRO 25 11.111% * 0.0350% (0.33 1.0 1.00 0.02 0.02) = 0.035% HB VAL 61 - HB2 PRO 25 11.111% * 0.0285% (0.27 1.0 1.00 0.02 0.02) = 0.029% QB GLU- 30 - HB2 PRO 25 11.111% * 0.0158% (0.15 1.0 1.00 0.02 0.02) = 0.016% Peak 292 (4.16, 1.75, 32.25 ppm): 14 chemical-shift based assignments, quality = 0.826, support = 3.31, residual support = 60.0: * O T HA PRO 25 - HB3 PRO 25 7.143% * 59.5835% (0.90 10.0 10.00 4.90 98.73) = 59.584% kept T HA SER 19 - HB3 PRO 25 7.143% * 21.6609% (0.90 1.0 10.00 0.73 0.76) = 21.661% kept T HA SER 19 - HB2 ARG+ 48 7.143% * 12.2766% (0.59 1.0 10.00 0.63 0.55) = 12.277% kept HA LEU 26 - HB3 PRO 25 7.143% * 4.5079% (0.40 1.0 1.00 3.40 21.19) = 4.508% kept T HA ILE 95 - HB3 PRO 25 7.143% * 0.8482% (0.30 1.0 10.00 0.09 0.02) = 0.848% QB SER 19 - HB3 PRO 25 7.143% * 0.5281% (0.40 1.0 1.00 0.40 0.76) = 0.528% T HA PRO 25 - HB2 ARG+ 48 7.143% * 0.3876% (0.59 1.0 10.00 0.02 0.02) = 0.388% T HA ILE 95 - HB2 ARG+ 48 7.143% * 0.1296% (0.20 1.0 10.00 0.02 0.02) = 0.130% HA LEU 26 - HB2 ARG+ 48 7.143% * 0.0173% (0.26 1.0 1.00 0.02 0.77) = 0.017% QB SER 19 - HB2 ARG+ 48 7.143% * 0.0173% (0.26 1.0 1.00 0.02 0.55) = 0.017% HA GLU- 16 - HB3 PRO 25 7.143% * 0.0161% (0.24 1.0 1.00 0.02 0.92) = 0.016% HA GLU- 16 - HB2 ARG+ 48 7.143% * 0.0105% (0.16 1.0 1.00 0.02 0.02) = 0.010% HB THR 39 - HB3 PRO 25 7.143% * 0.0100% (0.15 1.0 1.00 0.02 0.02) = 0.010% HB THR 39 - HB2 ARG+ 48 7.143% * 0.0065% (0.10 1.0 1.00 0.02 0.50) = 0.006% Peak 293 (2.24, 1.75, 32.25 ppm): 8 chemical-shift based assignments, quality = 0.92, support = 4.06, residual support = 97.9: * O T HB2 PRO 25 - HB3 PRO 25 12.500% * 99.2084% (0.93 10.0 10.00 4.09 98.73) = 99.208% kept T HB2 PRO 25 - HB2 ARG+ 48 12.500% * 0.6454% (0.60 1.0 10.00 0.02 0.02) = 0.645% HB3 GLN 8 - HB3 PRO 25 12.500% * 0.0510% (0.48 1.0 1.00 0.02 0.58) = 0.051% HB3 GLN 8 - HB2 ARG+ 48 12.500% * 0.0332% (0.31 1.0 1.00 0.02 0.02) = 0.033% QG GLU- 77 - HB3 PRO 25 12.500% * 0.0233% (0.22 1.0 1.00 0.02 0.02) = 0.023% QG GLU- 77 - HB2 ARG+ 48 12.500% * 0.0152% (0.14 1.0 1.00 0.02 0.02) = 0.015% HB2 MET 101 - HB3 PRO 25 12.500% * 0.0142% (0.13 1.0 1.00 0.02 0.02) = 0.014% HB2 MET 101 - HB2 ARG+ 48 12.500% * 0.0092% (0.09 1.0 1.00 0.02 0.02) = 0.009% Peak 294 (1.74, 1.75, 32.25 ppm): 2 diagonal assignments: * HB3 PRO 25 - HB3 PRO 25 (0.90) kept HB2 ARG+ 48 - HB2 ARG+ 48 (0.60) kept Peak 295 (4.13, 4.14, 57.85 ppm): 2 diagonal assignments: * HA LEU 26 - HA LEU 26 (0.91) kept HA GLU- 30 - HA GLU- 30 (0.12) kept Peak 297 (4.13, 1.60, 42.76 ppm): 6 chemical-shift based assignments, quality = 0.843, support = 3.52, residual support = 32.4: * O T HA LEU 26 - QB LEU 26 16.667% * 76.9354% (0.92 10.0 10.00 4.32 41.47) = 76.935% kept T HA GLU- 30 - QB LEU 26 16.667% * 19.7058% (0.52 1.0 10.00 0.90 0.16) = 19.706% kept HA GLU- 16 - QB LEU 26 16.667% * 3.1184% (1.00 1.0 1.00 0.75 14.14) = 3.118% kept HB THR 39 - QB LEU 26 16.667% * 0.0817% (0.98 1.0 1.00 0.02 0.02) = 0.082% HA ILE 95 - QB LEU 26 16.667% * 0.0817% (0.98 1.0 1.00 0.02 0.02) = 0.082% QB SER 19 - QB LEU 26 16.667% * 0.0769% (0.92 1.0 1.00 0.02 0.02) = 0.077% Peak 298 (1.59, 1.60, 42.76 ppm): 1 diagonal assignment: * QB LEU 26 - QB LEU 26 (0.87) kept Peak 299 (3.92, 3.93, 46.35 ppm): 1 diagonal assignment: * HA1 GLY 27 - HA1 GLY 27 (0.89) kept Peak 300 (4.30, 4.31, 58.62 ppm): 1 diagonal assignment: * HA PHE 28 - HA PHE 28 (0.90) kept Peak 301 (2.82, 4.31, 58.62 ppm): 5 chemical-shift based assignments, quality = 0.884, support = 1.88, residual support = 21.5: * O T HB2 PHE 28 - HA PHE 28 20.000% * 97.2848% (0.90 10.0 10.00 1.93 22.10) = 97.285% kept T HB2 ASP- 73 - HA PHE 28 20.000% * 1.9953% (0.19 1.0 10.00 0.19 0.02) = 1.995% kept T HB2 TYR 81 - HA PHE 28 20.000% * 0.5545% (0.52 1.0 10.00 0.02 0.20) = 0.554% HB3 PHE 92 - HA PHE 28 20.000% * 0.0973% (0.90 1.0 1.00 0.02 0.02) = 0.097% HB2 TYR 31 - HA PHE 28 20.000% * 0.0682% (0.63 1.0 1.00 0.02 0.02) = 0.068% Peak 302 (4.30, 2.83, 41.29 ppm): 6 chemical-shift based assignments, quality = 0.913, support = 1.93, residual support = 22.0: * O T HA PHE 28 - HB2 PHE 28 16.667% * 99.7677% (0.91 10.0 10.00 1.93 22.10) = 99.768% kept HA PRO 12 - HB2 PHE 28 16.667% * 0.0937% (0.86 1.0 1.00 0.02 0.12) = 0.094% T HA PHE 28 - HB2 TYR 81 16.667% * 0.0749% (0.07 1.0 10.00 0.02 0.20) = 0.075% HA ALA 2 - HB2 PHE 28 16.667% * 0.0526% (0.48 1.0 1.00 0.02 0.02) = 0.053% HA PRO 12 - HB2 TYR 81 16.667% * 0.0070% (0.06 1.0 1.00 0.02 0.02) = 0.007% HA ALA 2 - HB2 TYR 81 16.667% * 0.0040% (0.04 1.0 1.00 0.02 1.25) = 0.004% Peak 304 (4.39, 4.40, 55.84 ppm): 1 diagonal assignment: * HA ASN 29 - HA ASN 29 (0.90) kept Peak 305 (2.92, 4.40, 55.84 ppm): 2 chemical-shift based assignments, quality = 0.897, support = 1.53, residual support = 11.0: * O T QB ASN 29 - HA ASN 29 50.000% * 97.6208% (0.90 10.0 10.00 1.55 11.20) = 97.621% kept HB2 TYR 93 - HA ASN 29 50.000% * 2.3792% (0.59 1.0 1.00 0.74 0.70) = 2.379% kept Peak 306 (4.39, 2.93, 37.48 ppm): 4 chemical-shift based assignments, quality = 0.904, support = 1.55, residual support = 11.2: * O T HA ASN 29 - QB ASN 29 25.000% * 99.8828% (0.90 10.0 10.00 1.55 11.20) = 99.883% kept HA1 GLY 47 - QB ASN 29 25.000% * 0.0656% (0.59 1.0 1.00 0.02 0.02) = 0.066% HA PRO 33 - QB ASN 29 25.000% * 0.0369% (0.33 1.0 1.00 0.02 0.02) = 0.037% HA ILE 14 - QB ASN 29 25.000% * 0.0146% (0.13 1.0 1.00 0.02 0.02) = 0.015% Peak 307 (2.92, 2.93, 37.48 ppm): 1 diagonal assignment: * QB ASN 29 - QB ASN 29 (0.90) kept Peak 308 (4.11, 4.12, 57.92 ppm): 2 diagonal assignments: * HA GLU- 30 - HA GLU- 30 (0.91) kept HA LEU 26 - HA LEU 26 (0.05) kept Peak 309 (1.70, 4.12, 57.92 ppm): 16 chemical-shift based assignments, quality = 0.745, support = 1.97, residual support = 12.9: * O T QB GLU- 30 - HA GLU- 30 6.250% * 43.2751% (0.91 10.0 10.00 2.14 10.21) = 43.275% kept O T HG LEU 26 - HA LEU 26 6.250% * 16.6304% (0.35 10.0 10.00 3.41 41.47) = 16.630% kept T HD3 LYS+ 55 - HA GLU- 30 6.250% * 15.2492% (0.86 1.0 10.00 0.75 0.12) = 15.249% kept T HG LEU 26 - HA GLU- 30 6.250% * 13.9756% (0.99 1.0 10.00 0.60 0.16) = 13.976% kept T HG2 PRO 25 - HA LEU 26 6.250% * 7.4725% (0.16 1.0 10.00 3.54 21.19) = 7.473% kept T HD3 LYS+ 55 - HA LEU 26 6.250% * 2.9418% (0.31 1.0 10.00 0.41 0.02) = 2.942% kept T QD LYS+ 60 - HA LEU 26 6.250% * 0.1663% (0.35 1.0 10.00 0.02 1.92) = 0.166% T QB GLU- 30 - HA LEU 26 6.250% * 0.1539% (0.33 1.0 10.00 0.02 0.16) = 0.154% QD LYS+ 60 - HA GLU- 30 6.250% * 0.0468% (0.99 1.0 1.00 0.02 0.65) = 0.047% HB2 GLU- 23 - HA GLU- 30 6.250% * 0.0322% (0.68 1.0 1.00 0.02 0.02) = 0.032% HG2 PRO 25 - HA GLU- 30 6.250% * 0.0210% (0.44 1.0 1.00 0.02 0.02) = 0.021% HB2 GLU- 23 - HA LEU 26 6.250% * 0.0114% (0.24 1.0 1.00 0.02 0.02) = 0.011% HG12 ILE 38 - HA GLU- 30 6.250% * 0.0093% (0.20 1.0 1.00 0.02 0.02) = 0.009% HB3 LYS+ 55 - HA GLU- 30 6.250% * 0.0082% (0.17 1.0 1.00 0.02 0.12) = 0.008% HG12 ILE 38 - HA LEU 26 6.250% * 0.0033% (0.07 1.0 1.00 0.02 0.02) = 0.003% HB3 LYS+ 55 - HA LEU 26 6.250% * 0.0029% (0.06 1.0 1.00 0.02 0.02) = 0.003% Peak 310 (4.11, 1.71, 29.47 ppm): 12 chemical-shift based assignments, quality = 0.837, support = 1.97, residual support = 9.06: * O T HA GLU- 30 - QB GLU- 30 8.333% * 88.6019% (0.91 10.0 10.00 2.14 10.21) = 88.602% kept T HA GLU- 30 - HD3 LYS+ 55 8.333% * 9.7407% (0.27 1.0 10.00 0.75 0.12) = 9.741% kept T HA LEU 26 - HD3 LYS+ 55 8.333% * 0.8834% (0.04 1.0 10.00 0.41 0.02) = 0.883% HB THR 39 - QB GLU- 30 8.333% * 0.5330% (0.41 1.0 1.00 0.27 0.02) = 0.533% T HA LEU 26 - QB GLU- 30 8.333% * 0.1481% (0.15 1.0 10.00 0.02 0.16) = 0.148% HA GLU- 16 - QB GLU- 30 8.333% * 0.0267% (0.28 1.0 1.00 0.02 0.02) = 0.027% HA ILE 95 - QB GLU- 30 8.333% * 0.0214% (0.22 1.0 1.00 0.02 0.02) = 0.021% QB SER 19 - QB GLU- 30 8.333% * 0.0148% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB THR 39 - HD3 LYS+ 55 8.333% * 0.0116% (0.12 1.0 1.00 0.02 0.54) = 0.012% HA GLU- 16 - HD3 LYS+ 55 8.333% * 0.0078% (0.08 1.0 1.00 0.02 0.02) = 0.008% HA ILE 95 - HD3 LYS+ 55 8.333% * 0.0063% (0.06 1.0 1.00 0.02 0.27) = 0.006% QB SER 19 - HD3 LYS+ 55 8.333% * 0.0043% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 312 (4.46, 4.47, 57.88 ppm): 1 diagonal assignment: * HA TYR 31 - HA TYR 31 (0.93) kept Peak 313 (2.83, 4.47, 57.88 ppm): 4 chemical-shift based assignments, quality = 0.88, support = 2.47, residual support = 21.9: * O T HB2 TYR 31 - HA TYR 31 25.000% * 96.3289% (0.89 10.0 10.00 2.52 22.73) = 96.329% kept HB3 PHE 92 - HA TYR 31 25.000% * 3.5416% (0.62 1.0 1.00 1.05 0.11) = 3.542% kept HB2 PHE 28 - HA TYR 31 25.000% * 0.1034% (0.96 1.0 1.00 0.02 0.02) = 0.103% HB2 TYR 81 - HA TYR 31 25.000% * 0.0260% (0.24 1.0 1.00 0.02 0.26) = 0.026% Peak 314 (1.93, 4.47, 57.88 ppm): 8 chemical-shift based assignments, quality = 0.88, support = 2.71, residual support = 20.6: * O T HB3 TYR 31 - HA TYR 31 12.500% * 90.6664% (0.89 10.0 10.00 2.97 22.73) = 90.666% kept T HB2 LYS+ 60 - HA TYR 31 12.500% * 5.5774% (0.96 1.0 10.00 0.11 0.02) = 5.577% kept HB VAL 71 - HA TYR 31 12.500% * 1.4698% (0.62 1.0 1.00 0.46 0.02) = 1.470% kept QG PRO 37 - HA TYR 31 12.500% * 1.1182% (0.89 1.0 1.00 0.25 0.02) = 1.118% kept T QB GLU- 6 - HA TYR 31 12.500% * 0.9800% (0.96 1.0 10.00 0.02 0.02) = 0.980% HB3 GLU- 16 - HA TYR 31 12.500% * 0.0973% (0.96 1.0 1.00 0.02 0.02) = 0.097% HB3 ARG+ 53 - HA TYR 31 12.500% * 0.0635% (0.62 1.0 1.00 0.02 0.02) = 0.064% HB3 GLU- 77 - HA TYR 31 12.500% * 0.0273% (0.27 1.0 1.00 0.02 0.02) = 0.027% Peak 315 (4.46, 2.83, 38.51 ppm): 9 chemical-shift based assignments, quality = 0.939, support = 2.48, residual support = 22.3: * O T HA TYR 31 - HB2 TYR 31 11.111% * 98.0496% (0.95 10.0 10.00 2.52 22.73) = 98.050% kept HA GLU- 6 - HB2 TYR 31 11.111% * 1.6552% (0.67 1.0 1.00 0.47 0.02) = 1.655% kept HB THR 64 - HB2 TYR 31 11.111% * 0.0738% (0.71 1.0 1.00 0.02 0.02) = 0.074% HA VAL 61 - HB2 TYR 31 11.111% * 0.0738% (0.71 1.0 1.00 0.02 0.02) = 0.074% HA TRP 67 - HB2 TYR 31 11.111% * 0.0314% (0.30 1.0 1.00 0.02 0.02) = 0.031% HA ASN 100 - HB2 TYR 31 11.111% * 0.0314% (0.30 1.0 1.00 0.02 0.02) = 0.031% HA ASN 69 - HB2 TYR 31 11.111% * 0.0314% (0.30 1.0 1.00 0.02 0.19) = 0.031% HA ASN 74 - HB2 TYR 31 11.111% * 0.0282% (0.27 1.0 1.00 0.02 0.24) = 0.028% HA1 GLY 98 - HB2 TYR 31 11.111% * 0.0253% (0.24 1.0 1.00 0.02 0.02) = 0.025% Peak 316 (2.83, 2.83, 38.51 ppm): 1 diagonal assignment: * HB2 TYR 31 - HB2 TYR 31 (0.90) kept Peak 317 (1.93, 2.83, 38.51 ppm): 8 chemical-shift based assignments, quality = 0.902, support = 2.18, residual support = 22.1: * O T HB3 TYR 31 - HB2 TYR 31 12.500% * 97.0416% (0.90 10.0 10.00 2.23 22.73) = 97.042% kept QB GLU- 6 - HB2 TYR 31 12.500% * 2.4877% (0.98 1.0 1.00 0.47 0.02) = 2.488% kept HB2 LYS+ 60 - HB2 TYR 31 12.500% * 0.1042% (0.97 1.0 1.00 0.02 0.02) = 0.104% HB3 GLU- 16 - HB2 TYR 31 12.500% * 0.1042% (0.97 1.0 1.00 0.02 0.02) = 0.104% QG PRO 37 - HB2 TYR 31 12.500% * 0.0970% (0.90 1.0 1.00 0.02 0.02) = 0.097% HB VAL 71 - HB2 TYR 31 12.500% * 0.0680% (0.63 1.0 1.00 0.02 0.02) = 0.068% HB3 ARG+ 53 - HB2 TYR 31 12.500% * 0.0680% (0.63 1.0 1.00 0.02 0.02) = 0.068% HB3 GLU- 77 - HB2 TYR 31 12.500% * 0.0292% (0.27 1.0 1.00 0.02 0.02) = 0.029% Peak 318 (4.46, 1.94, 38.51 ppm): 9 chemical-shift based assignments, quality = 0.934, support = 2.93, residual support = 22.4: * O T HA TYR 31 - HB3 TYR 31 11.111% * 98.7160% (0.95 10.0 10.00 2.97 22.73) = 98.716% kept T HA GLU- 6 - HB3 TYR 31 11.111% * 0.7026% (0.67 1.0 10.00 0.02 0.02) = 0.703% T HA ASN 69 - HB3 TYR 31 11.111% * 0.3157% (0.30 1.0 10.00 0.02 0.19) = 0.316% HB THR 64 - HB3 TYR 31 11.111% * 0.0743% (0.71 1.0 1.00 0.02 0.02) = 0.074% HA VAL 61 - HB3 TYR 31 11.111% * 0.0743% (0.71 1.0 1.00 0.02 0.02) = 0.074% HA TRP 67 - HB3 TYR 31 11.111% * 0.0316% (0.30 1.0 1.00 0.02 0.02) = 0.032% HA ASN 100 - HB3 TYR 31 11.111% * 0.0316% (0.30 1.0 1.00 0.02 0.02) = 0.032% HA ASN 74 - HB3 TYR 31 11.111% * 0.0284% (0.27 1.0 1.00 0.02 0.24) = 0.028% HA1 GLY 98 - HB3 TYR 31 11.111% * 0.0255% (0.24 1.0 1.00 0.02 0.02) = 0.026% Peak 319 (2.83, 1.94, 38.51 ppm): 4 chemical-shift based assignments, quality = 0.896, support = 2.19, residual support = 22.0: * O T HB2 TYR 31 - HB3 TYR 31 25.000% * 96.9383% (0.90 10.0 10.00 2.23 22.73) = 96.938% kept HB3 PHE 92 - HB3 TYR 31 25.000% * 2.9315% (0.63 1.0 1.00 0.86 0.11) = 2.931% kept HB2 PHE 28 - HB3 TYR 31 25.000% * 0.1041% (0.97 1.0 1.00 0.02 0.02) = 0.104% HB2 TYR 81 - HB3 TYR 31 25.000% * 0.0262% (0.24 1.0 1.00 0.02 0.26) = 0.026% Peak 320 (1.93, 1.94, 38.51 ppm): 1 diagonal assignment: * HB3 TYR 31 - HB3 TYR 31 (0.90) kept Peak 321 (4.36, 4.37, 63.64 ppm): 1 diagonal assignment: * HA PRO 33 - HA PRO 33 (0.90) kept Peak 322 (2.33, 4.37, 63.64 ppm): 2 chemical-shift based assignments, quality = 0.878, support = 5.14, residual support = 64.6: * O T HB2 PRO 33 - HA PRO 33 50.000% * 99.9149% (0.88 10.0 10.00 5.14 64.62) = 99.915% kept QG GLU- 59 - HA PRO 33 50.000% * 0.0851% (0.75 1.0 1.00 0.02 0.11) = 0.085% Peak 323 (1.85, 4.37, 63.64 ppm): 9 chemical-shift based assignments, quality = 0.925, support = 2.91, residual support = 64.5: O T HG3 PRO 33 - HA PRO 33 11.111% * 52.3739% (0.97 10.0 10.00 2.81 64.62) = 52.374% kept * O T HB3 PRO 33 - HA PRO 33 11.111% * 47.3899% (0.88 10.0 10.00 3.03 64.62) = 47.390% kept HB3 ARG+ 90 - HA PRO 33 11.111% * 0.0458% (0.85 1.0 1.00 0.02 0.02) = 0.046% HB3 LYS+ 11 - HA PRO 33 11.111% * 0.0441% (0.82 1.0 1.00 0.02 0.02) = 0.044% QE MET 10 - HA PRO 33 11.111% * 0.0404% (0.75 1.0 1.00 0.02 0.02) = 0.040% QB MET 54 - HA PRO 33 11.111% * 0.0363% (0.67 1.0 1.00 0.02 11.25) = 0.036% QB LYS+ 72 - HA PRO 33 11.111% * 0.0321% (0.59 1.0 1.00 0.02 0.75) = 0.032% HD3 PRO 25 - HA PRO 33 11.111% * 0.0257% (0.48 1.0 1.00 0.02 0.02) = 0.026% HB ILE 24 - HA PRO 33 11.111% * 0.0118% (0.22 1.0 1.00 0.02 0.02) = 0.012% Peak 324 (4.36, 2.34, 32.25 ppm): 7 chemical-shift based assignments, quality = 0.814, support = 4.09, residual support = 43.0: * O T HA PRO 33 - HB2 PRO 33 14.286% * 57.2421% (0.91 10.0 10.00 5.14 64.62) = 57.242% kept T HA ILE 38 - HB2 PRO 33 14.286% * 42.5949% (0.68 1.0 10.00 2.69 14.12) = 42.595% kept HA ILE 14 - HB2 PRO 33 14.286% * 0.0615% (0.98 1.0 1.00 0.02 0.57) = 0.061% HA1 GLY 47 - HB2 PRO 33 14.286% * 0.0426% (0.68 1.0 1.00 0.02 0.02) = 0.043% HA THR 4 - HB2 PRO 33 14.286% * 0.0302% (0.48 1.0 1.00 0.02 0.02) = 0.030% HB THR 4 - HB2 PRO 33 14.286% * 0.0191% (0.31 1.0 1.00 0.02 0.02) = 0.019% HA ASP- 73 - HB2 PRO 33 14.286% * 0.0096% (0.15 1.0 1.00 0.02 1.61) = 0.010% Peak 325 (2.33, 2.34, 32.25 ppm): 1 diagonal assignment: * HB2 PRO 33 - HB2 PRO 33 (0.89) kept Peak 326 (1.85, 2.34, 32.25 ppm): 9 chemical-shift based assignments, quality = 0.93, support = 3.83, residual support = 63.3: O T HG3 PRO 33 - HB2 PRO 33 11.111% * 51.1817% (0.98 10.0 10.00 3.81 64.62) = 51.182% kept * O T HB3 PRO 33 - HB2 PRO 33 11.111% * 46.3111% (0.89 10.0 10.00 4.00 64.62) = 46.311% kept QB MET 54 - HB2 PRO 33 11.111% * 2.3119% (0.68 1.0 1.00 1.30 11.25) = 2.312% kept HB3 ARG+ 90 - HB2 PRO 33 11.111% * 0.0448% (0.86 1.0 1.00 0.02 0.02) = 0.045% HB3 LYS+ 11 - HB2 PRO 33 11.111% * 0.0431% (0.83 1.0 1.00 0.02 0.02) = 0.043% QE MET 10 - HB2 PRO 33 11.111% * 0.0395% (0.76 1.0 1.00 0.02 0.02) = 0.039% QB LYS+ 72 - HB2 PRO 33 11.111% * 0.0313% (0.60 1.0 1.00 0.02 0.75) = 0.031% HD3 PRO 25 - HB2 PRO 33 11.111% * 0.0251% (0.48 1.0 1.00 0.02 0.02) = 0.025% HB ILE 24 - HB2 PRO 33 11.111% * 0.0115% (0.22 1.0 1.00 0.02 0.02) = 0.011% Peak 327 (4.36, 1.86, 32.25 ppm): 7 chemical-shift based assignments, quality = 0.904, support = 2.87, residual support = 60.1: * O T HA PRO 33 - HB3 PRO 33 14.286% * 91.9812% (0.91 10.0 10.00 3.03 64.62) = 91.981% kept HA ILE 38 - HB3 PRO 33 14.286% * 4.7773% (0.68 1.0 1.00 1.40 14.12) = 4.777% kept HA ILE 14 - HB3 PRO 33 14.286% * 3.0785% (0.98 1.0 1.00 0.62 0.57) = 3.079% kept HA1 GLY 47 - HB3 PRO 33 14.286% * 0.0684% (0.68 1.0 1.00 0.02 0.02) = 0.068% HA THR 4 - HB3 PRO 33 14.286% * 0.0485% (0.48 1.0 1.00 0.02 0.02) = 0.049% HB THR 4 - HB3 PRO 33 14.286% * 0.0308% (0.31 1.0 1.00 0.02 0.02) = 0.031% HA ASP- 73 - HB3 PRO 33 14.286% * 0.0154% (0.15 1.0 1.00 0.02 1.61) = 0.015% Peak 328 (2.33, 1.86, 32.25 ppm): 2 chemical-shift based assignments, quality = 0.888, support = 3.99, residual support = 64.6: * O T HB2 PRO 33 - HB3 PRO 33 50.000% * 99.9149% (0.89 10.0 10.00 4.00 64.62) = 99.915% kept QG GLU- 59 - HB3 PRO 33 50.000% * 0.0851% (0.76 1.0 1.00 0.02 0.11) = 0.085% Peak 329 (1.85, 1.86, 32.25 ppm): 1 diagonal assignment: * HB3 PRO 33 - HB3 PRO 33 (0.89) kept Peak 330 (2.03, 2.04, 38.55 ppm): 1 diagonal assignment: * HB ILE 38 - HB ILE 38 (0.87) kept Peak 331 (5.26, 5.26, 59.14 ppm): 1 diagonal assignment: * HA THR 39 - HA THR 39 (0.89) kept Peak 332 (4.13, 5.26, 59.14 ppm): 6 chemical-shift based assignments, quality = 0.909, support = 3.4, residual support = 30.2: * O T HB THR 39 - HA THR 39 16.667% * 97.4375% (0.92 10.0 10.00 3.49 30.99) = 97.438% kept HA GLU- 16 - HA THR 39 16.667% * 1.4779% (0.80 1.0 1.00 0.35 0.02) = 1.478% kept HA ILE 95 - HA THR 39 16.667% * 0.8650% (0.72 1.0 1.00 0.23 0.02) = 0.865% HA GLU- 30 - HA THR 39 16.667% * 0.0916% (0.87 1.0 1.00 0.02 0.02) = 0.092% QB SER 19 - HA THR 39 16.667% * 0.0640% (0.61 1.0 1.00 0.02 0.02) = 0.064% HA LEU 26 - HA THR 39 16.667% * 0.0640% (0.61 1.0 1.00 0.02 0.02) = 0.064% Peak 333 (5.26, 4.13, 72.80 ppm): 5 chemical-shift based assignments, quality = 0.875, support = 3.4, residual support = 30.1: * O T HA THR 39 - HB THR 39 20.000% * 97.2369% (0.88 10.0 10.00 3.49 30.99) = 97.237% kept HA ARG+ 90 - HB THR 39 20.000% * 1.5989% (0.95 1.0 1.00 0.31 0.85) = 1.599% kept HA PHE 62 - HB THR 39 20.000% * 1.1305% (0.44 1.0 1.00 0.47 0.02) = 1.130% kept HA VAL 52 - HB THR 39 20.000% * 0.0190% (0.17 1.0 1.00 0.02 1.14) = 0.019% HA TYR 93 - HB THR 39 20.000% * 0.0147% (0.13 1.0 1.00 0.02 0.02) = 0.015% Peak 334 (4.13, 4.13, 72.80 ppm): 1 diagonal assignment: * HB THR 39 - HB THR 39 (0.90) kept Peak 335 (5.10, 5.11, 59.19 ppm): 1 diagonal assignment: * HA VAL 40 - HA VAL 40 (0.90) kept Peak 336 (2.28, 5.11, 59.19 ppm): 4 chemical-shift based assignments, quality = 0.908, support = 2.85, residual support = 35.8: * O T HB VAL 40 - HA VAL 40 25.000% * 76.4925% (0.93 10.0 10.00 3.54 46.74) = 76.493% kept T HG2 GLN 83 - HA VAL 40 25.000% * 22.6399% (0.88 1.0 10.00 0.62 0.20) = 22.640% kept T QG GLU- 16 - HA VAL 40 25.000% * 0.6180% (0.75 1.0 10.00 0.02 2.72) = 0.618% T HB3 GLN 8 - HA VAL 40 25.000% * 0.2496% (0.30 1.0 10.00 0.02 0.02) = 0.250% Peak 337 (5.10, 2.29, 35.97 ppm): 12 chemical-shift based assignments, quality = 0.87, support = 3.45, residual support = 45.7: * O T HA VAL 40 - HB VAL 40 8.333% * 97.6849% (0.89 10.0 10.00 3.54 46.74) = 97.685% kept T HA VAL 40 - QG GLU- 16 8.333% * 0.9469% (0.86 1.0 10.00 0.02 2.72) = 0.947% T HA GLN 83 - HB VAL 40 8.333% * 0.6418% (0.59 1.0 10.00 0.02 0.20) = 0.642% T HA GLN 83 - QG GLU- 16 8.333% * 0.6222% (0.57 1.0 10.00 0.02 0.23) = 0.622% HA LYS+ 56 - HB VAL 40 8.333% * 0.0294% (0.27 1.0 1.00 0.02 0.02) = 0.029% HA LYS+ 56 - QG GLU- 16 8.333% * 0.0285% (0.26 1.0 1.00 0.02 0.36) = 0.029% HA1 GLY 66 - HB VAL 40 8.333% * 0.0209% (0.19 1.0 1.00 0.02 0.02) = 0.021% HA1 GLY 66 - QG GLU- 16 8.333% * 0.0203% (0.19 1.0 1.00 0.02 0.02) = 0.020% HA VAL 40 - QG GLU- 59 8.333% * 0.0023% (0.02 1.0 1.00 0.02 0.11) = 0.002% HA GLN 83 - QG GLU- 59 8.333% * 0.0015% (0.01 1.0 1.00 0.02 0.02) = 0.002% HA LYS+ 56 - QG GLU- 59 8.333% * 0.0007% (0.01 1.0 1.00 0.02 0.02) = 0.001% HA1 GLY 66 - QG GLU- 59 8.333% * 0.0005% (0.00 1.0 1.00 0.02 0.02) = 0.000% Peak 338 (2.28, 2.29, 35.97 ppm): 2 diagonal assignments: * HB VAL 40 - HB VAL 40 (0.91) kept QG GLU- 16 - QG GLU- 16 (0.71) kept Peak 339 (5.75, 5.76, 53.30 ppm): 1 diagonal assignment: * HA ASP- 41 - HA ASP- 41 (0.90) kept Peak 340 (2.62, 5.76, 53.30 ppm): 7 chemical-shift based assignments, quality = 0.848, support = 3.32, residual support = 30.0: * O T HB2 ASP- 41 - HA ASP- 41 14.286% * 99.6862% (0.85 10.0 10.00 3.33 30.09) = 99.686% kept HA VAL 71 - HA ASP- 41 14.286% * 0.1147% (0.98 1.0 1.00 0.02 0.53) = 0.115% HG2 MET 1 - HA ASP- 41 14.286% * 0.0789% (0.67 1.0 1.00 0.02 0.02) = 0.079% HG3 MET 10 - HA ASP- 41 14.286% * 0.0431% (0.37 1.0 1.00 0.02 0.02) = 0.043% HB3 ASN 100 - HA ASP- 41 14.286% * 0.0392% (0.33 1.0 1.00 0.02 0.02) = 0.039% HG2 MET 10 - HA ASP- 41 14.286% * 0.0201% (0.17 1.0 1.00 0.02 0.02) = 0.020% QG MET 101 - HA ASP- 41 14.286% * 0.0177% (0.15 1.0 1.00 0.02 0.02) = 0.018% Peak 341 (5.75, 2.63, 43.11 ppm): 1 chemical-shift based assignment, quality = 0.921, support = 3.33, residual support = 30.1: * O T HA ASP- 41 - HB2 ASP- 41 100.000% *100.0000% (0.92 10.0 10.00 3.33 30.09) = 100.000% kept Peak 342 (2.62, 2.63, 43.11 ppm): 1 diagonal assignment: * HB2 ASP- 41 - HB2 ASP- 41 (0.87) kept Peak 343 (5.37, 5.38, 53.50 ppm): 1 diagonal assignment: * HA LEU 42 - HA LEU 42 (0.89) kept Peak 344 (2.19, 5.38, 53.50 ppm): 9 chemical-shift based assignments, quality = 0.885, support = 6.91, residual support = 170.2: * O T HB2 LEU 42 - HA LEU 42 11.111% * 99.5218% (0.89 10.0 10.00 6.95 171.06) = 99.522% kept QB GLU- 68 - HA LEU 42 11.111% * 0.0927% (0.83 1.0 1.00 0.02 0.02) = 0.093% QG GLU- 6 - HA LEU 42 11.111% * 0.0762% (0.68 1.0 1.00 0.02 0.02) = 0.076% HB2 GLU- 77 - HA LEU 42 11.111% * 0.0718% (0.64 1.0 1.00 0.02 0.02) = 0.072% HB2 PHE 84 - HA LEU 42 11.111% * 0.0718% (0.64 1.0 1.00 0.02 0.02) = 0.072% HB2 MET 101 - HA LEU 42 11.111% * 0.0628% (0.56 1.0 1.00 0.02 0.02) = 0.063% QG GLU- 77 - HA LEU 42 11.111% * 0.0456% (0.41 1.0 1.00 0.02 0.02) = 0.046% HB2 LEU 82 - HA LEU 42 11.111% * 0.0379% (0.34 1.0 1.00 0.02 0.21) = 0.038% HB2 GLU- 59 - HA LEU 42 11.111% * 0.0194% (0.17 1.0 1.00 0.02 0.02) = 0.019% Peak 345 (5.37, 1.22, 42.50 ppm): 2 chemical-shift based assignments, quality = 0.89, support = 6.25, residual support = 157.5: * O T HA LEU 42 - HB3 LEU 42 50.000% * 91.7986% (0.89 10.0 10.00 6.64 171.06) = 91.799% kept HA THR 91 - HB3 LEU 42 50.000% * 8.2014% (0.83 1.0 1.00 1.92 5.99) = 8.201% kept Peak 346 (1.21, 1.22, 42.50 ppm): 1 diagonal assignment: * HB3 LEU 42 - HB3 LEU 42 (0.87) kept Peak 347 (5.62, 5.63, 54.04 ppm): 1 diagonal assignment: * HA LEU 43 - HA LEU 43 (0.90) kept Peak 348 (1.66, 5.63, 54.04 ppm): 7 chemical-shift based assignments, quality = 0.9, support = 5.16, residual support = 123.3: * O HB2 LEU 43 - HA LEU 43 14.286% * 99.4970% (0.90 10.0 5.18 123.88) = 99.497% kept QD LYS+ 11 - HA LEU 43 14.286% * 0.1075% (0.98 1.0 0.02 0.52) = 0.108% QB PRO 12 - HA LEU 43 14.286% * 0.1056% (0.96 1.0 0.02 0.02) = 0.106% QD LYS+ 17 - HA LEU 43 14.286% * 0.0967% (0.88 1.0 0.02 0.02) = 0.097% HB2 LYS+ 56 - HA LEU 43 14.286% * 0.0824% (0.75 1.0 0.02 3.51) = 0.082% HB3 LYS+ 55 - HA LEU 43 14.286% * 0.0740% (0.67 1.0 0.02 2.24) = 0.074% HG2 PRO 25 - HA LEU 43 14.286% * 0.0368% (0.33 1.0 0.02 0.02) = 0.037% Peak 349 (1.16, 5.63, 54.04 ppm): 5 chemical-shift based assignments, quality = 0.876, support = 5.78, residual support = 121.8: * O T HB3 LEU 43 - HA LEU 43 20.000% * 98.2082% (0.88 10.0 10.00 5.88 123.88) = 98.208% kept HG3 ARG+ 48 - HA LEU 43 20.000% * 1.3374% (0.97 1.0 1.00 0.25 7.06) = 1.337% kept HG3 ARG+ 88 - HA LEU 43 20.000% * 0.3575% (0.44 1.0 1.00 0.15 0.02) = 0.358% QG2 VAL 65 - HA LEU 43 20.000% * 0.0752% (0.67 1.0 1.00 0.02 0.02) = 0.075% HD3 LYS+ 56 - HA LEU 43 20.000% * 0.0217% (0.19 1.0 1.00 0.02 3.51) = 0.022% Peak 350 (5.62, 1.67, 45.82 ppm): 1 chemical-shift based assignment, quality = 0.905, support = 5.18, residual support = 123.9: * O T HA LEU 43 - HB2 LEU 43 100.000% *100.0000% (0.90 10.0 10.00 5.18 123.88) = 100.000% kept Peak 351 (1.66, 1.67, 45.82 ppm): 1 diagonal assignment: * HB2 LEU 43 - HB2 LEU 43 (0.90) kept Peak 352 (1.16, 1.67, 45.82 ppm): 5 chemical-shift based assignments, quality = 0.879, support = 5.08, residual support = 122.1: * O T HB3 LEU 43 - HB2 LEU 43 20.000% * 98.5175% (0.88 10.0 10.00 5.15 123.88) = 98.517% kept HG3 ARG+ 48 - HB2 LEU 43 20.000% * 1.3361% (0.97 1.0 1.00 0.25 7.06) = 1.336% kept QG2 VAL 65 - HB2 LEU 43 20.000% * 0.0755% (0.67 1.0 1.00 0.02 0.02) = 0.075% HG3 ARG+ 88 - HB2 LEU 43 20.000% * 0.0492% (0.44 1.0 1.00 0.02 0.02) = 0.049% HD3 LYS+ 56 - HB2 LEU 43 20.000% * 0.0217% (0.19 1.0 1.00 0.02 3.51) = 0.022% Peak 353 (5.62, 1.16, 45.82 ppm): 1 chemical-shift based assignment, quality = 0.915, support = 5.88, residual support = 123.9: * O T HA LEU 43 - HB3 LEU 43 100.000% *100.0000% (0.91 10.0 10.00 5.88 123.88) = 100.000% kept Peak 354 (1.66, 1.16, 45.82 ppm): 7 chemical-shift based assignments, quality = 0.91, support = 5.12, residual support = 123.3: * O HB2 LEU 43 - HB3 LEU 43 14.286% * 99.4970% (0.91 10.0 5.15 123.88) = 99.497% kept QD LYS+ 11 - HB3 LEU 43 14.286% * 0.1075% (0.99 1.0 0.02 0.52) = 0.108% QB PRO 12 - HB3 LEU 43 14.286% * 0.1056% (0.97 1.0 0.02 0.02) = 0.106% QD LYS+ 17 - HB3 LEU 43 14.286% * 0.0967% (0.89 1.0 0.02 0.02) = 0.097% HB2 LYS+ 56 - HB3 LEU 43 14.286% * 0.0824% (0.76 1.0 0.02 3.51) = 0.082% HB3 LYS+ 55 - HB3 LEU 43 14.286% * 0.0740% (0.68 1.0 0.02 2.24) = 0.074% HG2 PRO 25 - HB3 LEU 43 14.286% * 0.0368% (0.34 1.0 0.02 0.02) = 0.037% Peak 355 (1.16, 1.16, 45.82 ppm): 1 diagonal assignment: * HB3 LEU 43 - HB3 LEU 43 (0.89) kept Peak 356 (4.01, 4.02, 47.17 ppm): 1 diagonal assignment: * HA1 GLY 58 - HA1 GLY 58 (0.93) kept Peak 357 (3.63, 4.02, 47.17 ppm): 2 chemical-shift based assignments, quality = 0.904, support = 0.999, residual support = 1.99: * O T HA2 GLY 58 - HA1 GLY 58 50.000% * 99.8939% (0.90 10.0 10.00 1.00 1.99) = 99.894% kept HD2 PRO 37 - HA1 GLY 58 50.000% * 0.1061% (0.96 1.0 1.00 0.02 0.02) = 0.106% Peak 358 (4.01, 3.64, 47.17 ppm): 6 chemical-shift based assignments, quality = 0.925, support = 0.997, residual support = 1.99: * O T HA1 GLY 58 - HA2 GLY 58 16.667% * 99.7064% (0.93 10.0 10.00 1.00 1.99) = 99.706% kept HA1 GLY 5 - HA2 GLY 58 16.667% * 0.0945% (0.88 1.0 1.00 0.02 0.02) = 0.095% HA LYS+ 72 - HA2 GLY 58 16.667% * 0.0639% (0.59 1.0 1.00 0.02 0.02) = 0.064% HB2 SER 15 - HA2 GLY 58 16.667% * 0.0513% (0.48 1.0 1.00 0.02 0.02) = 0.051% HA2 GLY 66 - HA2 GLY 58 16.667% * 0.0513% (0.48 1.0 1.00 0.02 0.02) = 0.051% HA2 GLY 98 - HA2 GLY 58 16.667% * 0.0325% (0.30 1.0 1.00 0.02 0.02) = 0.033% Peak 359 (3.63, 3.64, 47.17 ppm): 1 diagonal assignment: * HA2 GLY 58 - HA2 GLY 58 (0.90) kept Peak 360 (4.06, 4.07, 56.87 ppm): 1 diagonal assignment: * HA ARG+ 48 - HA ARG+ 48 (0.89) kept Peak 361 (1.73, 4.07, 56.87 ppm): 8 chemical-shift based assignments, quality = 0.907, support = 5.74, residual support = 200.1: * O T HB2 ARG+ 48 - HA ARG+ 48 12.500% * 93.5475% (0.94 10.0 10.00 6.08 213.94) = 93.547% kept HB2 GLU- 23 - HA ARG+ 48 12.500% * 2.5300% (0.72 1.0 1.00 0.70 0.02) = 2.530% kept QB GLU- 30 - HA ARG+ 48 12.500% * 1.6626% (0.44 1.0 1.00 0.75 0.15) = 1.663% kept HG LEU 26 - HA ARG+ 48 12.500% * 1.5280% (0.28 1.0 1.00 1.11 0.77) = 1.528% kept T HB3 PRO 25 - HA ARG+ 48 12.500% * 0.5599% (0.56 1.0 10.00 0.02 0.02) = 0.560% HG12 ILE 38 - HA ARG+ 48 12.500% * 0.0980% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB ILE 14 - HA ARG+ 48 12.500% * 0.0520% (0.52 1.0 1.00 0.02 6.85) = 0.052% QD LYS+ 60 - HA ARG+ 48 12.500% * 0.0220% (0.22 1.0 1.00 0.02 0.02) = 0.022% Peak 362 (0.94, 4.07, 56.87 ppm): 6 chemical-shift based assignments, quality = 0.874, support = 6.53, residual support = 208.5: * O T HB3 ARG+ 48 - HA ARG+ 48 16.667% * 97.4452% (0.89 10.0 10.00 6.68 213.94) = 97.445% kept QD1 LEU 26 - HA ARG+ 48 16.667% * 2.2921% (0.34 1.0 1.00 1.24 0.77) = 2.292% kept QG2 VAL 52 - HA ARG+ 48 16.667% * 0.0908% (0.83 1.0 1.00 0.02 0.02) = 0.091% QD2 LEU 82 - HA ARG+ 48 16.667% * 0.0703% (0.64 1.0 1.00 0.02 0.02) = 0.070% HG3 LYS+ 56 - HA ARG+ 48 16.667% * 0.0529% (0.48 1.0 1.00 0.02 0.02) = 0.053% QG2 ILE 14 - HA ARG+ 48 16.667% * 0.0487% (0.44 1.0 1.00 0.02 6.85) = 0.049% Peak 363 (4.06, 1.74, 32.28 ppm): 6 chemical-shift based assignments, quality = 0.848, support = 5.96, residual support = 209.7: * O T HA ARG+ 48 - HB2 ARG+ 48 16.667% * 98.0020% (0.87 10.0 10.00 6.08 213.94) = 98.002% kept T HA ARG+ 48 - HB3 PRO 25 16.667% * 0.8977% (0.79 1.0 10.00 0.02 0.02) = 0.898% HA2 GLY 98 - HB2 ARG+ 48 16.667% * 0.6750% (0.40 1.0 1.00 0.30 0.02) = 0.675% HA2 GLY 66 - HB2 ARG+ 48 16.667% * 0.3593% (0.24 1.0 1.00 0.26 0.02) = 0.359% HA2 GLY 98 - HB3 PRO 25 16.667% * 0.0411% (0.36 1.0 1.00 0.02 0.02) = 0.041% HA2 GLY 66 - HB3 PRO 25 16.667% * 0.0250% (0.22 1.0 1.00 0.02 0.02) = 0.025% Peak 364 (1.73, 1.74, 32.28 ppm): 2 diagonal assignments: * HB2 ARG+ 48 - HB2 ARG+ 48 (0.91) kept HB3 PRO 25 - HB3 PRO 25 (0.50) kept Peak 365 (0.94, 1.74, 32.28 ppm): 12 chemical-shift based assignments, quality = 0.706, support = 4.79, residual support = 148.8: * O T HB3 ARG+ 48 - HB2 ARG+ 48 8.333% * 69.1617% (0.87 10.0 10.00 6.24 213.94) = 69.162% kept T QG2 ILE 14 - HB3 PRO 25 8.333% * 24.6843% (0.40 1.0 10.00 1.56 0.81) = 24.684% kept QD1 LEU 26 - HB3 PRO 25 8.333% * 3.2075% (0.30 1.0 1.00 2.66 21.19) = 3.208% kept QD1 LEU 26 - HB2 ARG+ 48 8.333% * 0.9556% (0.33 1.0 1.00 0.73 0.77) = 0.956% T HB3 ARG+ 48 - HB3 PRO 25 8.333% * 0.6335% (0.79 1.0 10.00 0.02 0.02) = 0.633% T QD2 LEU 82 - HB3 PRO 25 8.333% * 0.4570% (0.57 1.0 10.00 0.02 0.02) = 0.457% T QG2 ILE 14 - HB2 ARG+ 48 8.333% * 0.3457% (0.43 1.0 10.00 0.02 6.85) = 0.346% T HG3 LYS+ 56 - HB3 PRO 25 8.333% * 0.3438% (0.43 1.0 10.00 0.02 0.02) = 0.344% QG2 VAL 52 - HB2 ARG+ 48 8.333% * 0.0644% (0.81 1.0 1.00 0.02 0.02) = 0.064% QG2 VAL 52 - HB3 PRO 25 8.333% * 0.0590% (0.74 1.0 1.00 0.02 0.31) = 0.059% QD2 LEU 82 - HB2 ARG+ 48 8.333% * 0.0499% (0.62 1.0 1.00 0.02 0.02) = 0.050% HG3 LYS+ 56 - HB2 ARG+ 48 8.333% * 0.0375% (0.47 1.0 1.00 0.02 0.02) = 0.038% Peak 366 (4.06, 0.95, 32.28 ppm): 3 chemical-shift based assignments, quality = 0.838, support = 6.07, residual support = 193.5: * O T HA ARG+ 48 - HB3 ARG+ 48 33.333% * 90.4539% (0.89 10.0 10.00 6.68 213.94) = 90.454% kept T HA2 GLY 98 - HB3 ARG+ 48 33.333% * 6.2300% (0.41 1.0 10.00 0.30 0.02) = 6.230% kept T HA2 GLY 66 - HB3 ARG+ 48 33.333% * 3.3162% (0.25 1.0 10.00 0.26 0.02) = 3.316% kept Peak 367 (1.73, 0.95, 32.28 ppm): 8 chemical-shift based assignments, quality = 0.805, support = 4.75, residual support = 150.7: * O T HB2 ARG+ 48 - HB3 ARG+ 48 12.500% * 69.5654% (0.94 10.0 10.00 6.24 213.94) = 69.565% kept T HB ILE 14 - HB3 ARG+ 48 12.500% * 27.7795% (0.52 1.0 10.00 1.44 6.85) = 27.780% kept HB2 GLU- 23 - HB3 ARG+ 48 12.500% * 1.1320% (0.72 1.0 1.00 0.42 0.02) = 1.132% kept HG LEU 26 - HB3 ARG+ 48 12.500% * 0.9845% (0.28 1.0 1.00 0.96 0.77) = 0.984% T HB3 PRO 25 - HB3 ARG+ 48 12.500% * 0.4163% (0.56 1.0 10.00 0.02 0.02) = 0.416% HG12 ILE 38 - HB3 ARG+ 48 12.500% * 0.0729% (0.98 1.0 1.00 0.02 0.02) = 0.073% QB GLU- 30 - HB3 ARG+ 48 12.500% * 0.0330% (0.44 1.0 1.00 0.02 0.15) = 0.033% QD LYS+ 60 - HB3 ARG+ 48 12.500% * 0.0164% (0.22 1.0 1.00 0.02 0.02) = 0.016% Peak 368 (0.94, 0.95, 32.28 ppm): 1 diagonal assignment: * HB3 ARG+ 48 - HB3 ARG+ 48 (0.89) kept Peak 369 (5.70, 5.71, 56.55 ppm): 1 diagonal assignment: * HA SER 49 - HA SER 49 (0.89) kept Peak 370 (3.52, 5.71, 56.55 ppm): 5 chemical-shift based assignments, quality = 0.861, support = 2.83, residual support = 15.9: * O T QB SER 49 - HA SER 49 20.000% * 97.0199% (0.86 10.0 10.00 2.90 16.39) = 97.020% kept HB3 SER 15 - HA SER 49 20.000% * 2.6708% (0.99 1.0 1.00 0.48 0.44) = 2.671% kept HA LEU 76 - HA SER 49 20.000% * 0.1118% (0.99 1.0 1.00 0.02 0.02) = 0.112% HA GLU- 23 - HA SER 49 20.000% * 0.1079% (0.96 1.0 1.00 0.02 1.90) = 0.108% HD3 PRO 37 - HA SER 49 20.000% * 0.0896% (0.79 1.0 1.00 0.02 0.02) = 0.090% Peak 371 (5.70, 3.53, 66.95 ppm): 1 chemical-shift based assignment, quality = 0.895, support = 2.9, residual support = 16.4: * O T HA SER 49 - QB SER 49 100.000% *100.0000% (0.89 10.0 10.00 2.90 16.39) = 100.000% kept Peak 372 (3.52, 3.53, 66.95 ppm): 1 diagonal assignment: * QB SER 49 - QB SER 49 (0.87) kept Peak 373 (4.82, 4.83, 59.17 ppm): 1 diagonal assignment: * HA TRP 50 - HA TRP 50 (0.91) kept Peak 374 (3.43, 4.83, 59.17 ppm): 4 chemical-shift based assignments, quality = 0.856, support = 3.4, residual support = 20.7: * O T HB2 TRP 50 - HA TRP 50 25.000% * 97.8605% (0.87 10.0 10.00 3.47 21.16) = 97.861% kept HD2 ARG+ 90 - HA TRP 50 25.000% * 1.1932% (0.74 1.0 1.00 0.29 0.02) = 1.193% kept HB2 TRP 67 - HA TRP 50 25.000% * 0.8410% (0.59 1.0 1.00 0.25 0.02) = 0.841% HA ILE 24 - HA TRP 50 25.000% * 0.1053% (0.93 1.0 1.00 0.02 0.02) = 0.105% Peak 375 (4.82, 3.44, 33.10 ppm): 2 chemical-shift based assignments, quality = 0.936, support = 3.43, residual support = 20.8: * O T HA TRP 50 - HB2 TRP 50 50.000% * 98.4678% (0.94 10.0 10.00 3.47 21.16) = 98.468% kept HA TYR 81 - HB2 TRP 50 50.000% * 1.5322% (0.83 1.0 1.00 0.35 0.02) = 1.532% kept Peak 376 (3.43, 3.44, 33.10 ppm): 1 diagonal assignment: * HB2 TRP 50 - HB2 TRP 50 (0.89) kept Peak 377 (5.44, 5.45, 63.55 ppm): 1 diagonal assignment: * HA THR 51 - HA THR 51 (0.90) kept Peak 379 (5.44, 3.96, 70.43 ppm): 2 chemical-shift based assignments, quality = 0.924, support = 3.75, residual support = 26.0: * O HA THR 51 - HB THR 51 50.000% * 95.6428% (0.92 10.0 3.88 27.23) = 95.643% kept HA MET 54 - HB THR 51 50.000% * 4.3572% (1.00 1.0 0.84 0.02) = 4.357% kept Peak 380 (3.95, 3.96, 70.43 ppm): 1 diagonal assignment: * HB THR 51 - HB THR 51 (0.87) kept Peak 381 (5.28, 5.29, 59.87 ppm): 1 diagonal assignment: * HA VAL 52 - HA VAL 52 (0.89) kept Peak 382 (2.03, 5.29, 59.87 ppm): 8 chemical-shift based assignments, quality = 0.891, support = 4.09, residual support = 72.7: * O T HB VAL 52 - HA VAL 52 12.500% * 82.6163% (0.89 10.0 10.00 4.29 81.40) = 82.616% kept HB2 ARG+ 53 - HA VAL 52 12.500% * 15.3694% (0.94 1.0 1.00 3.53 35.38) = 15.369% kept HG3 MET 54 - HA VAL 52 12.500% * 1.7395% (0.72 1.0 1.00 0.52 2.15) = 1.740% kept HG2 PRO 33 - HA VAL 52 12.500% * 0.0903% (0.97 1.0 1.00 0.02 0.02) = 0.090% HB ILE 38 - HA VAL 52 12.500% * 0.0769% (0.83 1.0 1.00 0.02 0.02) = 0.077% QG PRO 12 - HA VAL 52 12.500% * 0.0485% (0.52 1.0 1.00 0.02 0.02) = 0.048% HB3 MET 1 - HA VAL 52 12.500% * 0.0448% (0.48 1.0 1.00 0.02 0.02) = 0.045% HB2 LYS+ 20 - HA VAL 52 12.500% * 0.0142% (0.15 1.0 1.00 0.02 0.02) = 0.014% Peak 383 (5.28, 2.04, 35.55 ppm): 5 chemical-shift based assignments, quality = 0.873, support = 3.98, residual support = 70.9: * O T HA VAL 52 - HB VAL 52 20.000% * 87.0091% (0.89 10.0 10.00 4.29 81.40) = 87.009% kept HA THR 39 - HB VAL 52 20.000% * 7.9927% (0.64 1.0 1.00 2.55 1.14) = 7.993% kept HA PHE 62 - HB VAL 52 20.000% * 4.8929% (0.98 1.0 1.00 1.02 0.12) = 4.893% kept HA TYR 93 - HB VAL 52 20.000% * 0.0810% (0.83 1.0 1.00 0.02 0.02) = 0.081% HA ARG+ 90 - HB VAL 52 20.000% * 0.0242% (0.25 1.0 1.00 0.02 0.02) = 0.024% Peak 384 (2.03, 2.04, 35.55 ppm): 1 diagonal assignment: * HB VAL 52 - HB VAL 52 (0.89) kept Peak 385 (4.72, 4.73, 56.48 ppm): 2 diagonal assignments: * HA ARG+ 53 - HA ARG+ 53 (0.89) kept HA LYS+ 20 - HA LYS+ 20 (0.50) kept Peak 386 (2.02, 4.73, 56.48 ppm): 16 chemical-shift based assignments, quality = 0.809, support = 4.28, residual support = 35.4: T HG3 MET 54 - HA ARG+ 53 6.250% * 39.6600% (0.99 1.0 10.00 4.44 19.87) = 39.660% kept * O T HB2 ARG+ 53 - HA ARG+ 53 6.250% * 35.5683% (0.89 10.0 10.00 5.54 65.93) = 35.568% kept O T HB2 LYS+ 20 - HA LYS+ 20 6.250% * 11.8344% (0.30 10.0 10.00 2.78 22.75) = 11.834% kept T HB2 LYS+ 20 - HA ARG+ 53 6.250% * 5.7115% (0.52 1.0 10.00 0.55 0.02) = 5.711% kept HB VAL 52 - HA ARG+ 53 6.250% * 4.0113% (0.44 1.0 1.00 4.51 35.38) = 4.011% kept T HG3 MET 54 - HA LYS+ 20 6.250% * 1.7543% (0.56 1.0 10.00 0.16 0.02) = 1.754% kept HG2 PRO 33 - HA ARG+ 53 6.250% * 1.1446% (0.60 1.0 1.00 0.95 0.57) = 1.145% kept T HB2 ARG+ 53 - HA LYS+ 20 6.250% * 0.2017% (0.50 1.0 10.00 0.02 0.02) = 0.202% HB3 MET 1 - HA ARG+ 53 6.250% * 0.0366% (0.91 1.0 1.00 0.02 0.02) = 0.037% HB3 MET 1 - HA LYS+ 20 6.250% * 0.0208% (0.52 1.0 1.00 0.02 0.02) = 0.021% HB ILE 38 - HA ARG+ 53 6.250% * 0.0149% (0.37 1.0 1.00 0.02 0.22) = 0.015% HG2 PRO 33 - HA LYS+ 20 6.250% * 0.0136% (0.34 1.0 1.00 0.02 0.29) = 0.014% HB VAL 52 - HA LYS+ 20 6.250% * 0.0101% (0.25 1.0 1.00 0.02 0.02) = 0.010% HB ILE 38 - HA LYS+ 20 6.250% * 0.0084% (0.21 1.0 1.00 0.02 0.23) = 0.008% QG PRO 12 - HA ARG+ 53 6.250% * 0.0061% (0.15 1.0 1.00 0.02 0.02) = 0.006% QG PRO 12 - HA LYS+ 20 6.250% * 0.0035% (0.09 1.0 1.00 0.02 0.02) = 0.003% Peak 387 (4.72, 2.03, 32.17 ppm): 10 chemical-shift based assignments, quality = 0.84, support = 5.3, residual support = 61.1: * O HA ARG+ 53 - HB2 ARG+ 53 10.000% * 91.1172% (0.89 10.0 5.54 65.93) = 91.117% kept HA ARG+ 53 - HG3 MET 54 10.000% * 5.2448% (0.23 1.0 4.44 19.87) = 5.245% kept HA ALA 34 - HB2 ARG+ 53 10.000% * 2.1393% (0.76 1.0 0.55 0.02) = 2.139% kept HA ALA 34 - HG3 MET 54 10.000% * 1.0780% (0.20 1.0 1.07 0.63) = 1.078% kept HA LYS+ 20 - HG3 MET 54 10.000% * 0.1844% (0.23 1.0 0.16 0.02) = 0.184% HA HIS 99 - HB2 ARG+ 53 10.000% * 0.0996% (0.97 1.0 0.02 0.02) = 0.100% HA LYS+ 20 - HB2 ARG+ 53 10.000% * 0.0911% (0.89 1.0 0.02 0.02) = 0.091% HA HIS 99 - HG3 MET 54 10.000% * 0.0258% (0.25 1.0 0.02 0.02) = 0.026% HA ILE 85 - HB2 ARG+ 53 10.000% * 0.0157% (0.15 1.0 0.02 0.02) = 0.016% HA ILE 85 - HG3 MET 54 10.000% * 0.0041% (0.04 1.0 0.02 0.49) = 0.004% Peak 388 (2.02, 2.03, 32.17 ppm): 2 diagonal assignments: * HB2 ARG+ 53 - HB2 ARG+ 53 (0.89) kept HG3 MET 54 - HG3 MET 54 (0.26) kept Peak 389 (5.43, 5.44, 54.98 ppm): 1 diagonal assignment: * HA MET 54 - HA MET 54 (0.87) kept Peak 390 (1.85, 5.44, 54.98 ppm): 8 chemical-shift based assignments, quality = 0.883, support = 4.07, residual support = 49.1: * O T QB MET 54 - HA MET 54 12.500% * 79.7662% (0.87 10.0 10.00 4.99 61.01) = 79.766% kept T HB3 LYS+ 11 - HA MET 54 12.500% * 15.9538% (0.96 1.0 10.00 0.36 0.11) = 15.954% kept HB3 PRO 33 - HA MET 54 12.500% * 3.9726% (0.99 1.0 1.00 0.87 11.25) = 3.973% kept HG3 PRO 33 - HA MET 54 12.500% * 0.0901% (0.98 1.0 1.00 0.02 11.25) = 0.090% QB LYS+ 72 - HA MET 54 12.500% * 0.0736% (0.80 1.0 1.00 0.02 0.02) = 0.074% HB3 ARG+ 90 - HA MET 54 12.500% * 0.0632% (0.69 1.0 1.00 0.02 0.10) = 0.063% QE MET 10 - HA MET 54 12.500% * 0.0521% (0.56 1.0 1.00 0.02 0.26) = 0.052% HD3 PRO 25 - HA MET 54 12.500% * 0.0284% (0.31 1.0 1.00 0.02 0.02) = 0.028% Peak 391 (5.43, 1.86, 37.10 ppm): 4 chemical-shift based assignments, quality = 0.829, support = 4.62, residual support = 56.2: * O T HA MET 54 - QB MET 54 25.000% * 92.0278% (0.87 10.0 10.00 4.99 61.01) = 92.028% kept T HA MET 54 - HB3 LYS+ 11 25.000% * 7.8646% (0.41 1.0 10.00 0.36 0.11) = 7.865% kept HA THR 51 - QB MET 54 25.000% * 0.0729% (0.69 1.0 1.00 0.02 0.02) = 0.073% HA THR 51 - HB3 LYS+ 11 25.000% * 0.0346% (0.33 1.0 1.00 0.02 0.02) = 0.035% Peak 392 (1.85, 1.86, 37.10 ppm): 2 diagonal assignments: * QB MET 54 - QB MET 54 (0.87) kept HB3 LYS+ 11 - HB3 LYS+ 11 (0.46) kept Peak 393 (4.75, 4.76, 54.95 ppm): 1 diagonal assignment: * HA LYS+ 55 - HA LYS+ 55 (0.91) kept Peak 394 (1.67, 4.76, 54.95 ppm): 8 chemical-shift based assignments, quality = 0.79, support = 5.33, residual support = 79.6: * O HB3 LYS+ 55 - HA LYS+ 55 12.500% * 76.9345% (0.87 10.0 5.59 91.44) = 76.934% kept HB2 LYS+ 56 - HA LYS+ 55 12.500% * 13.2939% (0.51 1.0 5.89 40.06) = 13.294% kept HD3 LYS+ 55 - HA LYS+ 55 12.500% * 4.1770% (0.19 1.0 4.92 91.44) = 4.177% kept HB2 LEU 43 - HA LYS+ 55 12.500% * 3.1686% (0.97 1.0 0.74 2.24) = 3.169% kept QB PRO 12 - HA LYS+ 55 12.500% * 2.2107% (0.81 1.0 0.62 0.02) = 2.211% kept QD LYS+ 17 - HA LYS+ 55 12.500% * 0.0856% (0.96 1.0 0.02 3.66) = 0.086% QD LYS+ 11 - HA LYS+ 55 12.500% * 0.0811% (0.91 1.0 0.02 0.02) = 0.081% HG2 PRO 25 - HA LYS+ 55 12.500% * 0.0486% (0.55 1.0 0.02 0.02) = 0.049% Peak 395 (4.75, 1.68, 37.70 ppm): 6 chemical-shift based assignments, quality = 0.933, support = 5.36, residual support = 87.1: * O HA LYS+ 55 - HB3 LYS+ 55 16.667% * 95.2266% (0.94 10.0 5.59 91.44) = 95.227% kept HA ILE 85 - HB3 LYS+ 55 16.667% * 4.1221% (0.97 1.0 0.84 0.52) = 4.122% kept HA ALA 34 - HB3 LYS+ 55 16.667% * 0.3449% (0.60 1.0 0.11 0.02) = 0.345% HA ARG+ 53 - HB3 LYS+ 55 16.667% * 0.2457% (0.44 1.0 0.11 1.11) = 0.246% HA LYS+ 20 - HB3 LYS+ 55 16.667% * 0.0451% (0.44 1.0 0.02 0.02) = 0.045% HA HIS 99 - HB3 LYS+ 55 16.667% * 0.0155% (0.15 1.0 0.02 0.02) = 0.016% Peak 396 (1.67, 1.68, 37.70 ppm): 1 diagonal assignment: * HB3 LYS+ 55 - HB3 LYS+ 55 (0.89) kept Peak 397 (5.07, 5.08, 55.80 ppm): 1 diagonal assignment: * HA LYS+ 56 - HA LYS+ 56 (0.90) kept Peak 398 (1.65, 5.08, 55.80 ppm): 8 chemical-shift based assignments, quality = 0.898, support = 6.19, residual support = 158.5: * O HB2 LYS+ 56 - HA LYS+ 56 12.500% * 98.5783% (0.90 10.0 6.27 160.79) = 98.578% kept QD LYS+ 11 - HA LYS+ 56 12.500% * 1.2352% (0.48 1.0 0.48 0.76) = 1.235% kept QB PRO 12 - HA LYS+ 56 12.500% * 0.0691% (0.63 1.0 0.02 0.02) = 0.069% HB2 LEU 43 - HA LYS+ 56 12.500% * 0.0330% (0.30 1.0 0.02 3.51) = 0.033% QD LYS+ 17 - HA LYS+ 56 12.500% * 0.0297% (0.27 1.0 0.02 0.02) = 0.030% HG LEU 43 - HA LYS+ 56 12.500% * 0.0238% (0.22 1.0 0.02 3.51) = 0.024% HB VAL 94 - HA LYS+ 56 12.500% * 0.0165% (0.15 1.0 0.02 0.02) = 0.016% HB ILE 96 - HA LYS+ 56 12.500% * 0.0145% (0.13 1.0 0.02 1.39) = 0.014% Peak 399 (1.23, 5.08, 55.80 ppm): 6 chemical-shift based assignments, quality = 0.881, support = 5.24, residual support = 153.9: * O T HB3 LYS+ 56 - HA LYS+ 56 16.667% * 95.6938% (0.90 10.0 10.00 5.42 160.79) = 95.694% kept QE MET 54 - HA LYS+ 56 16.667% * 2.5290% (0.27 1.0 1.00 1.75 1.61) = 2.529% kept HB3 LEU 82 - HA LYS+ 56 16.667% * 1.5392% (0.55 1.0 1.00 0.52 0.72) = 1.539% kept QG1 VAL 65 - HA LYS+ 56 16.667% * 0.1016% (0.96 1.0 1.00 0.02 0.02) = 0.102% HB3 LEU 42 - HA LYS+ 56 16.667% * 0.0899% (0.85 1.0 1.00 0.02 0.55) = 0.090% HG3 GLU- 23 - HA LYS+ 56 16.667% * 0.0465% (0.44 1.0 1.00 0.02 0.02) = 0.046% Peak 400 (5.07, 1.66, 33.96 ppm): 3 chemical-shift based assignments, quality = 0.905, support = 6.17, residual support = 157.9: * O T HA LYS+ 56 - HB2 LYS+ 56 33.333% * 98.2160% (0.90 10.0 10.00 6.27 160.79) = 98.216% kept HA LYS+ 80 - HB2 LYS+ 56 33.333% * 1.6797% (0.97 1.0 1.00 0.32 0.15) = 1.680% kept HA1 GLY 66 - HB2 LYS+ 56 33.333% * 0.1043% (0.96 1.0 1.00 0.02 0.02) = 0.104% Peak 401 (1.65, 1.66, 33.96 ppm): 1 diagonal assignment: * HB2 LYS+ 56 - HB2 LYS+ 56 (0.90) kept Peak 402 (1.23, 1.66, 33.96 ppm): 6 chemical-shift based assignments, quality = 0.884, support = 5.82, residual support = 155.7: * O T HB3 LYS+ 56 - HB2 LYS+ 56 16.667% * 96.8021% (0.90 10.0 10.00 5.95 160.79) = 96.802% kept QE MET 54 - HB2 LYS+ 56 16.667% * 2.8978% (0.27 1.0 1.00 1.99 1.61) = 2.898% kept QG1 VAL 65 - HB2 LYS+ 56 16.667% * 0.1028% (0.96 1.0 1.00 0.02 0.02) = 0.103% HB3 LEU 42 - HB2 LYS+ 56 16.667% * 0.0910% (0.85 1.0 1.00 0.02 0.55) = 0.091% HB3 LEU 82 - HB2 LYS+ 56 16.667% * 0.0594% (0.55 1.0 1.00 0.02 0.72) = 0.059% HG3 GLU- 23 - HB2 LYS+ 56 16.667% * 0.0470% (0.44 1.0 1.00 0.02 0.02) = 0.047% Peak 403 (5.07, 1.24, 33.96 ppm): 3 chemical-shift based assignments, quality = 0.905, support = 5.3, residual support = 156.8: * O T HA LYS+ 56 - HB3 LYS+ 56 33.333% * 97.5361% (0.90 10.0 10.00 5.42 160.79) = 97.536% kept HA LYS+ 80 - HB3 LYS+ 56 33.333% * 2.3603% (0.97 1.0 1.00 0.45 0.15) = 2.360% kept HA1 GLY 66 - HB3 LYS+ 56 33.333% * 0.1036% (0.96 1.0 1.00 0.02 0.02) = 0.104% Peak 404 (1.65, 1.24, 33.96 ppm): 8 chemical-shift based assignments, quality = 0.894, support = 5.79, residual support = 156.1: * O HB2 LYS+ 56 - HB3 LYS+ 56 12.500% * 97.0638% (0.90 10.0 5.95 160.79) = 97.064% kept QD LYS+ 11 - HB3 LYS+ 56 12.500% * 1.6239% (0.48 1.0 0.63 0.76) = 1.624% kept QB PRO 12 - HB3 LYS+ 56 12.500% * 1.1968% (0.63 1.0 0.35 0.02) = 1.197% kept HB2 LEU 43 - HB3 LYS+ 56 12.500% * 0.0325% (0.30 1.0 0.02 3.51) = 0.032% QD LYS+ 17 - HB3 LYS+ 56 12.500% * 0.0292% (0.27 1.0 0.02 0.02) = 0.029% HG LEU 43 - HB3 LYS+ 56 12.500% * 0.0234% (0.22 1.0 0.02 3.51) = 0.023% HB VAL 94 - HB3 LYS+ 56 12.500% * 0.0162% (0.15 1.0 0.02 0.02) = 0.016% HB ILE 96 - HB3 LYS+ 56 12.500% * 0.0142% (0.13 1.0 0.02 1.39) = 0.014% Peak 405 (1.23, 1.24, 33.96 ppm): 1 diagonal assignment: * HB3 LYS+ 56 - HB3 LYS+ 56 (0.90) kept Peak 406 (4.37, 4.38, 45.55 ppm): 1 diagonal assignment: * HA1 GLY 47 - HA1 GLY 47 (0.91) kept Peak 407 (3.74, 4.38, 45.55 ppm): 3 chemical-shift based assignments, quality = 0.89, support = 1.93, residual support = 4.78: * O T HA2 GLY 47 - HA1 GLY 47 33.333% * 99.8855% (0.89 10.0 10.00 1.93 4.79) = 99.885% kept HD2 PRO 35 - HA1 GLY 47 33.333% * 0.0999% (0.89 1.0 1.00 0.02 0.02) = 0.100% HA2 GLY 79 - HA1 GLY 47 33.333% * 0.0146% (0.13 1.0 1.00 0.02 0.02) = 0.015% Peak 408 (4.37, 3.75, 45.55 ppm): 6 chemical-shift based assignments, quality = 0.925, support = 1.93, residual support = 4.78: * O T HA1 GLY 47 - HA2 GLY 47 16.667% * 99.7246% (0.93 10.0 10.00 1.93 4.79) = 99.725% kept HA PRO 33 - HA2 GLY 47 16.667% * 0.1045% (0.97 1.0 1.00 0.02 0.02) = 0.104% HA ILE 14 - HA2 GLY 47 16.667% * 0.0844% (0.78 1.0 1.00 0.02 0.02) = 0.084% HA ILE 38 - HA2 GLY 47 16.667% * 0.0396% (0.37 1.0 1.00 0.02 0.02) = 0.040% HA THR 4 - HA2 GLY 47 16.667% * 0.0235% (0.22 1.0 1.00 0.02 0.02) = 0.023% HA ASN 29 - HA2 GLY 47 16.667% * 0.0235% (0.22 1.0 1.00 0.02 0.02) = 0.023% Peak 409 (3.74, 3.75, 45.55 ppm): 1 diagonal assignment: * HA2 GLY 47 - HA2 GLY 47 (0.90) kept Peak 410 (4.25, 4.25, 56.70 ppm): 1 diagonal assignment: * HA GLU- 59 - HA GLU- 59 (0.90) kept Peak 411 (2.16, 4.25, 56.70 ppm): 8 chemical-shift based assignments, quality = 0.9, support = 3.95, residual support = 28.5: * O T HB2 GLU- 59 - HA GLU- 59 12.500% * 98.6287% (0.90 10.0 10.00 4.00 28.92) = 98.629% kept HB2 LEU 82 - HA GLU- 59 12.500% * 1.0716% (0.71 1.0 1.00 0.28 0.02) = 1.072% kept QG GLN 8 - HA GLU- 59 12.500% * 0.0986% (0.90 1.0 1.00 0.02 0.02) = 0.099% HB2 ASN 74 - HA GLU- 59 12.500% * 0.0520% (0.48 1.0 1.00 0.02 0.02) = 0.052% HB ILE 85 - HA GLU- 59 12.500% * 0.0439% (0.40 1.0 1.00 0.02 2.09) = 0.044% HB2 PHE 84 - HA GLU- 59 12.500% * 0.0439% (0.40 1.0 1.00 0.02 0.02) = 0.044% HB3 MET 101 - HA GLU- 59 12.500% * 0.0401% (0.37 1.0 1.00 0.02 0.02) = 0.040% QB MET 10 - HA GLU- 59 12.500% * 0.0211% (0.19 1.0 1.00 0.02 0.02) = 0.021% Peak 412 (1.89, 4.25, 56.70 ppm): 9 chemical-shift based assignments, quality = 0.9, support = 3.98, residual support = 28.8: * O T HB3 GLU- 59 - HA GLU- 59 11.111% * 99.5093% (0.90 10.0 10.00 4.00 28.92) = 99.509% kept QB PHE 70 - HA GLU- 59 11.111% * 0.1078% (0.98 1.0 1.00 0.02 0.02) = 0.108% HB VAL 7 - HA GLU- 59 11.111% * 0.1020% (0.93 1.0 1.00 0.02 0.02) = 0.102% QB LYS+ 80 - HA GLU- 59 11.111% * 0.0995% (0.90 1.0 1.00 0.02 0.02) = 0.100% HB2 LYS+ 17 - HA GLU- 59 11.111% * 0.0697% (0.63 1.0 1.00 0.02 0.02) = 0.070% QB LYS+ 72 - HA GLU- 59 11.111% * 0.0405% (0.37 1.0 1.00 0.02 0.02) = 0.040% QB MET 54 - HA GLU- 59 11.111% * 0.0333% (0.30 1.0 1.00 0.02 0.14) = 0.033% HB3 LYS+ 11 - HA GLU- 59 11.111% * 0.0213% (0.19 1.0 1.00 0.02 0.02) = 0.021% HB3 PRO 33 - HA GLU- 59 11.111% * 0.0166% (0.15 1.0 1.00 0.02 0.11) = 0.017% Peak 413 (4.25, 2.17, 30.64 ppm): 4 chemical-shift based assignments, quality = 0.898, support = 3.89, residual support = 27.9: * O T HA GLU- 59 - HB2 GLU- 59 25.000% * 96.5016% (0.90 10.0 10.00 4.00 28.92) = 96.502% kept HD2 PRO 33 - HB2 GLU- 59 25.000% * 3.3367% (0.75 1.0 1.00 0.84 0.11) = 3.337% kept HA PHE 13 - HB2 GLU- 59 25.000% * 0.1025% (0.96 1.0 1.00 0.02 0.02) = 0.102% HA ASN 75 - HB2 GLU- 59 25.000% * 0.0592% (0.55 1.0 1.00 0.02 0.02) = 0.059% Peak 414 (2.16, 2.17, 30.64 ppm): 1 diagonal assignment: * HB2 GLU- 59 - HB2 GLU- 59 (0.90) kept Peak 415 (1.89, 2.17, 30.64 ppm): 9 chemical-shift based assignments, quality = 0.9, support = 2.99, residual support = 28.8: * O T HB3 GLU- 59 - HB2 GLU- 59 11.111% * 99.5093% (0.90 10.0 10.00 3.00 28.92) = 99.509% kept QB PHE 70 - HB2 GLU- 59 11.111% * 0.1078% (0.98 1.0 1.00 0.02 0.02) = 0.108% HB VAL 7 - HB2 GLU- 59 11.111% * 0.1020% (0.93 1.0 1.00 0.02 0.02) = 0.102% QB LYS+ 80 - HB2 GLU- 59 11.111% * 0.0995% (0.90 1.0 1.00 0.02 0.02) = 0.100% HB2 LYS+ 17 - HB2 GLU- 59 11.111% * 0.0697% (0.63 1.0 1.00 0.02 0.02) = 0.070% QB LYS+ 72 - HB2 GLU- 59 11.111% * 0.0405% (0.37 1.0 1.00 0.02 0.02) = 0.040% QB MET 54 - HB2 GLU- 59 11.111% * 0.0333% (0.30 1.0 1.00 0.02 0.14) = 0.033% HB3 LYS+ 11 - HB2 GLU- 59 11.111% * 0.0213% (0.19 1.0 1.00 0.02 0.02) = 0.021% HB3 PRO 33 - HB2 GLU- 59 11.111% * 0.0166% (0.15 1.0 1.00 0.02 0.11) = 0.017% Peak 416 (4.25, 1.90, 30.64 ppm): 4 chemical-shift based assignments, quality = 0.894, support = 3.78, residual support = 26.4: * O T HA GLU- 59 - HB3 GLU- 59 25.000% * 91.1131% (0.90 10.0 10.00 4.00 28.92) = 91.113% kept HD2 PRO 33 - HB3 GLU- 59 25.000% * 7.0373% (0.75 1.0 1.00 1.87 0.11) = 7.037% kept HA PHE 13 - HB3 GLU- 59 25.000% * 1.7938% (0.96 1.0 1.00 0.37 0.02) = 1.794% kept HA ASN 75 - HB3 GLU- 59 25.000% * 0.0559% (0.55 1.0 1.00 0.02 0.02) = 0.056% Peak 417 (2.16, 1.90, 30.64 ppm): 8 chemical-shift based assignments, quality = 0.891, support = 2.94, residual support = 28.3: * O T HB2 GLU- 59 - HB3 GLU- 59 12.500% * 97.8909% (0.90 10.0 10.00 3.00 28.92) = 97.891% kept HB ILE 85 - HB3 GLU- 59 12.500% * 1.2197% (0.40 1.0 1.00 0.56 2.09) = 1.220% kept HB2 LEU 82 - HB3 GLU- 59 12.500% * 0.3788% (0.71 1.0 1.00 0.10 0.02) = 0.379% HB2 PHE 84 - HB3 GLU- 59 12.500% * 0.3003% (0.40 1.0 1.00 0.14 0.02) = 0.300% QG GLN 8 - HB3 GLU- 59 12.500% * 0.0979% (0.90 1.0 1.00 0.02 0.02) = 0.098% HB2 ASN 74 - HB3 GLU- 59 12.500% * 0.0516% (0.48 1.0 1.00 0.02 0.02) = 0.052% HB3 MET 101 - HB3 GLU- 59 12.500% * 0.0398% (0.37 1.0 1.00 0.02 0.02) = 0.040% QB MET 10 - HB3 GLU- 59 12.500% * 0.0210% (0.19 1.0 1.00 0.02 0.02) = 0.021% Peak 418 (1.89, 1.90, 30.64 ppm): 1 diagonal assignment: * HB3 GLU- 59 - HB3 GLU- 59 (0.90) kept Peak 419 (4.48, 4.49, 56.35 ppm): 3 diagonal assignments: * HA LYS+ 60 - HA LYS+ 60 (0.91) kept HA ASN 69 - HA ASN 69 (0.74) kept HA MET 1 - HA MET 1 (0.11) kept Peak 420 (1.92, 4.49, 56.35 ppm): 24 chemical-shift based assignments, quality = 0.862, support = 3.52, residual support = 56.5: * O T HB2 LYS+ 60 - HA LYS+ 60 4.167% * 90.0084% (0.89 10.0 10.00 3.84 62.55) = 90.008% kept HB VAL 71 - HA ASN 69 4.167% * 4.2134% (0.69 1.0 1.00 1.21 3.50) = 4.213% kept QG PRO 37 - HA LYS+ 60 4.167% * 1.3649% (0.62 1.0 1.00 0.43 4.44) = 1.365% kept HB3 GLU- 16 - HA LYS+ 60 4.167% * 1.2846% (0.89 1.0 1.00 0.29 0.14) = 1.285% kept HB VAL 71 - HA LYS+ 60 4.167% * 1.2708% (0.89 1.0 1.00 0.28 1.81) = 1.271% kept T HB2 LYS+ 60 - HA ASN 69 4.167% * 0.6957% (0.69 1.0 10.00 0.02 0.02) = 0.696% T HB3 TYR 31 - HA ASN 69 4.167% * 0.4876% (0.48 1.0 10.00 0.02 0.19) = 0.488% T HB2 LYS+ 60 - HA MET 1 4.167% * 0.1536% (0.15 1.0 10.00 0.02 0.02) = 0.154% QB GLU- 6 - HA LYS+ 60 4.167% * 0.0874% (0.87 1.0 1.00 0.02 0.02) = 0.087% HB3 GLU- 16 - HA ASN 69 4.167% * 0.0696% (0.69 1.0 1.00 0.02 0.02) = 0.070% QB GLU- 6 - HA ASN 69 4.167% * 0.0676% (0.67 1.0 1.00 0.02 0.31) = 0.068% HB3 TYR 31 - HA LYS+ 60 4.167% * 0.0631% (0.62 1.0 1.00 0.02 0.02) = 0.063% QG PRO 37 - HA ASN 69 4.167% * 0.0488% (0.48 1.0 1.00 0.02 0.02) = 0.049% HB3 ARG+ 53 - HA LYS+ 60 4.167% * 0.0333% (0.33 1.0 1.00 0.02 0.02) = 0.033% HB2 LYS+ 17 - HA LYS+ 60 4.167% * 0.0271% (0.27 1.0 1.00 0.02 0.38) = 0.027% HB3 ARG+ 53 - HA ASN 69 4.167% * 0.0257% (0.25 1.0 1.00 0.02 0.02) = 0.026% HB2 LYS+ 17 - HA ASN 69 4.167% * 0.0210% (0.21 1.0 1.00 0.02 0.80) = 0.021% HB3 GLU- 16 - HA MET 1 4.167% * 0.0154% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB VAL 71 - HA MET 1 4.167% * 0.0154% (0.15 1.0 1.00 0.02 0.02) = 0.015% QB GLU- 6 - HA MET 1 4.167% * 0.0149% (0.15 1.0 1.00 0.02 0.02) = 0.015% QG PRO 37 - HA MET 1 4.167% * 0.0108% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB3 TYR 31 - HA MET 1 4.167% * 0.0108% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB3 ARG+ 53 - HA MET 1 4.167% * 0.0057% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB2 LYS+ 17 - HA MET 1 4.167% * 0.0046% (0.05 1.0 1.00 0.02 0.02) = 0.005% Peak 421 (1.40, 4.49, 56.35 ppm): 15 chemical-shift based assignments, quality = 0.763, support = 3.73, residual support = 52.8: * O T HB3 LYS+ 60 - HA LYS+ 60 6.667% * 83.0743% (0.89 10.0 10.00 3.95 62.55) = 83.074% kept T QB ALA 2 - HA MET 1 6.667% * 14.5230% (0.16 1.0 10.00 3.06 5.71) = 14.523% kept T QB ALA 2 - HA LYS+ 60 6.667% * 0.8513% (0.91 1.0 10.00 0.02 0.02) = 0.851% T QB ALA 2 - HA ASN 69 6.667% * 0.6580% (0.71 1.0 10.00 0.02 0.02) = 0.658% T HB3 LYS+ 60 - HA ASN 69 6.667% * 0.6421% (0.69 1.0 10.00 0.02 0.02) = 0.642% T HB3 LYS+ 60 - HA MET 1 6.667% * 0.1417% (0.15 1.0 10.00 0.02 0.02) = 0.142% HG13 ILE 38 - HA LYS+ 60 6.667% * 0.0224% (0.24 1.0 1.00 0.02 12.78) = 0.022% HG2 ARG+ 88 - HA LYS+ 60 6.667% * 0.0200% (0.21 1.0 1.00 0.02 0.02) = 0.020% HG13 ILE 38 - HA ASN 69 6.667% * 0.0173% (0.19 1.0 1.00 0.02 0.02) = 0.017% HG2 ARG+ 88 - HA ASN 69 6.667% * 0.0155% (0.17 1.0 1.00 0.02 3.18) = 0.015% HG2 LYS+ 17 - HA LYS+ 60 6.667% * 0.0139% (0.15 1.0 1.00 0.02 0.38) = 0.014% HG2 LYS+ 17 - HA ASN 69 6.667% * 0.0107% (0.12 1.0 1.00 0.02 0.80) = 0.011% HG13 ILE 38 - HA MET 1 6.667% * 0.0038% (0.04 1.0 1.00 0.02 0.20) = 0.004% HG2 ARG+ 88 - HA MET 1 6.667% * 0.0034% (0.04 1.0 1.00 0.02 0.02) = 0.003% HG2 LYS+ 17 - HA MET 1 6.667% * 0.0024% (0.03 1.0 1.00 0.02 0.02) = 0.002% Peak 422 (4.48, 1.93, 36.70 ppm): 8 chemical-shift based assignments, quality = 0.878, support = 3.76, residual support = 55.7: * O T HA LYS+ 60 - HB2 LYS+ 60 12.500% * 86.0067% (0.93 10.0 10.00 3.84 62.55) = 86.007% kept HA VAL 61 - HB2 LYS+ 60 12.500% * 11.9124% (0.67 1.0 1.00 3.81 16.15) = 11.912% kept T HA ASN 69 - HB2 LYS+ 60 12.500% * 0.9012% (0.97 1.0 10.00 0.02 0.02) = 0.901% T HA MET 1 - HB2 LYS+ 60 12.500% * 0.5882% (0.63 1.0 10.00 0.02 0.02) = 0.588% T HA TYR 31 - HB2 LYS+ 60 12.500% * 0.3412% (0.37 1.0 10.00 0.02 0.02) = 0.341% HA ASN 74 - HB2 LYS+ 60 12.500% * 0.0907% (0.98 1.0 1.00 0.02 0.02) = 0.091% HA ASN 100 - HB2 LYS+ 60 12.500% * 0.0901% (0.97 1.0 1.00 0.02 1.01) = 0.090% HA VAL 7 - HB2 LYS+ 60 12.500% * 0.0695% (0.75 1.0 1.00 0.02 0.02) = 0.069% Peak 423 (1.92, 1.93, 36.70 ppm): 1 diagonal assignment: * HB2 LYS+ 60 - HB2 LYS+ 60 (0.90) kept Peak 424 (1.40, 1.93, 36.70 ppm): 5 chemical-shift based assignments, quality = 0.903, support = 3.8, residual support = 62.4: * O T HB3 LYS+ 60 - HB2 LYS+ 60 20.000% * 99.8300% (0.90 10.0 10.00 3.80 62.55) = 99.830% kept QB ALA 2 - HB2 LYS+ 60 20.000% * 0.1023% (0.93 1.0 1.00 0.02 0.02) = 0.102% HG13 ILE 38 - HB2 LYS+ 60 20.000% * 0.0270% (0.24 1.0 1.00 0.02 12.78) = 0.027% HG2 ARG+ 88 - HB2 LYS+ 60 20.000% * 0.0241% (0.22 1.0 1.00 0.02 0.02) = 0.024% HG2 LYS+ 17 - HB2 LYS+ 60 20.000% * 0.0167% (0.15 1.0 1.00 0.02 0.38) = 0.017% Peak 425 (4.48, 1.41, 36.70 ppm): 8 chemical-shift based assignments, quality = 0.887, support = 3.94, residual support = 55.2: * O T HA LYS+ 60 - HB3 LYS+ 60 12.500% * 84.8387% (0.94 10.0 10.00 3.95 62.55) = 84.839% kept HA VAL 61 - HB3 LYS+ 60 12.500% * 13.4116% (0.68 1.0 1.00 4.35 16.15) = 13.412% kept T HA ASN 69 - HB3 LYS+ 60 12.500% * 0.8889% (0.98 1.0 10.00 0.02 0.02) = 0.889% T HA MET 1 - HB3 LYS+ 60 12.500% * 0.5802% (0.64 1.0 10.00 0.02 0.02) = 0.580% HA ASN 74 - HB3 LYS+ 60 12.500% * 0.0895% (0.99 1.0 1.00 0.02 0.02) = 0.089% HA ASN 100 - HB3 LYS+ 60 12.500% * 0.0889% (0.98 1.0 1.00 0.02 1.01) = 0.089% HA VAL 7 - HB3 LYS+ 60 12.500% * 0.0685% (0.76 1.0 1.00 0.02 0.02) = 0.069% HA TYR 31 - HB3 LYS+ 60 12.500% * 0.0337% (0.37 1.0 1.00 0.02 0.02) = 0.034% Peak 426 (1.92, 1.41, 36.70 ppm): 8 chemical-shift based assignments, quality = 0.907, support = 3.74, residual support = 61.4: * O T HB2 LYS+ 60 - HB3 LYS+ 60 12.500% * 98.0866% (0.91 10.0 10.00 3.80 62.55) = 98.087% kept QG PRO 37 - HB3 LYS+ 60 12.500% * 1.4874% (0.64 1.0 1.00 0.43 4.44) = 1.487% kept HB VAL 71 - HB3 LYS+ 60 12.500% * 0.0981% (0.91 1.0 1.00 0.02 1.81) = 0.098% HB3 GLU- 16 - HB3 LYS+ 60 12.500% * 0.0981% (0.91 1.0 1.00 0.02 0.14) = 0.098% QB GLU- 6 - HB3 LYS+ 60 12.500% * 0.0953% (0.89 1.0 1.00 0.02 0.02) = 0.095% HB3 TYR 31 - HB3 LYS+ 60 12.500% * 0.0687% (0.64 1.0 1.00 0.02 0.02) = 0.069% HB3 ARG+ 53 - HB3 LYS+ 60 12.500% * 0.0362% (0.34 1.0 1.00 0.02 0.02) = 0.036% HB2 LYS+ 17 - HB3 LYS+ 60 12.500% * 0.0295% (0.28 1.0 1.00 0.02 0.38) = 0.030% Peak 427 (1.40, 1.41, 36.70 ppm): 1 diagonal assignment: * HB3 LYS+ 60 - HB3 LYS+ 60 (0.91) kept Peak 428 (4.46, 4.47, 62.22 ppm): 1 diagonal assignment: * HA VAL 61 - HA VAL 61 (0.90) kept Peak 429 (1.76, 4.47, 62.22 ppm): 10 chemical-shift based assignments, quality = 0.873, support = 3.24, residual support = 46.3: * O T HB VAL 61 - HA VAL 61 10.000% * 97.3373% (0.88 10.0 10.00 3.31 47.59) = 97.337% kept HB ILE 14 - HA VAL 61 10.000% * 2.2602% (0.78 1.0 1.00 0.52 0.83) = 2.260% kept HB2 LYS+ 55 - HA VAL 61 10.000% * 0.1027% (0.93 1.0 1.00 0.02 2.19) = 0.103% HB3 PRO 25 - HA VAL 61 10.000% * 0.0829% (0.75 1.0 1.00 0.02 0.02) = 0.083% HB ILE 95 - HA VAL 61 10.000% * 0.0788% (0.71 1.0 1.00 0.02 0.02) = 0.079% HB2 ARG+ 48 - HA VAL 61 10.000% * 0.0370% (0.33 1.0 1.00 0.02 0.02) = 0.037% HB3 LYS+ 20 - HA VAL 61 10.000% * 0.0302% (0.27 1.0 1.00 0.02 0.02) = 0.030% HG12 ILE 38 - HA VAL 61 10.000% * 0.0271% (0.24 1.0 1.00 0.02 1.02) = 0.027% HG3 ARG+ 53 - HA VAL 61 10.000% * 0.0271% (0.24 1.0 1.00 0.02 0.69) = 0.027% HD2 LYS+ 55 - HA VAL 61 10.000% * 0.0167% (0.15 1.0 1.00 0.02 2.19) = 0.017% Peak 430 (4.46, 1.76, 33.02 ppm): 9 chemical-shift based assignments, quality = 0.878, support = 3.32, residual support = 45.7: * O T HA VAL 61 - HB VAL 61 11.111% * 94.3246% (0.91 10.0 10.00 3.31 47.59) = 94.325% kept HA LYS+ 60 - HB VAL 61 11.111% * 5.3056% (0.28 1.0 1.00 3.73 16.15) = 5.306% kept HA TYR 31 - HB VAL 61 11.111% * 0.1013% (0.98 1.0 1.00 0.02 0.02) = 0.101% HA ASN 69 - HB VAL 61 11.111% * 0.0538% (0.52 1.0 1.00 0.02 0.02) = 0.054% HA ASN 100 - HB VAL 61 11.111% * 0.0538% (0.52 1.0 1.00 0.02 0.02) = 0.054% HA ASN 74 - HB VAL 61 11.111% * 0.0497% (0.48 1.0 1.00 0.02 0.02) = 0.050% HB THR 64 - HB VAL 61 11.111% * 0.0497% (0.48 1.0 1.00 0.02 1.44) = 0.050% HA GLU- 6 - HB VAL 61 11.111% * 0.0458% (0.44 1.0 1.00 0.02 0.02) = 0.046% HA TRP 67 - HB VAL 61 11.111% * 0.0158% (0.15 1.0 1.00 0.02 0.12) = 0.016% Peak 431 (1.76, 1.76, 33.02 ppm): 1 diagonal assignment: * HB VAL 61 - HB VAL 61 (0.89) kept Peak 432 (5.27, 5.28, 55.51 ppm): 2 diagonal assignments: * HA PHE 62 - HA PHE 62 (0.89) kept HA ARG+ 90 - HA ARG+ 90 (0.12) kept Peak 433 (2.52, 5.28, 55.51 ppm): 10 chemical-shift based assignments, quality = 0.806, support = 1.83, residual support = 14.7: * O T QB PHE 62 - HA PHE 62 10.000% * 50.0705% (0.89 10.0 10.00 1.94 8.11) = 50.070% kept T HB2 ARG+ 90 - HA PHE 62 10.000% * 32.1647% (0.99 1.0 10.00 1.15 0.68) = 32.165% kept O T HB2 ARG+ 90 - HA ARG+ 90 10.000% * 11.6256% (0.21 10.0 10.00 3.90 89.45) = 11.626% kept T HB3 ASP- 41 - HA PHE 62 10.000% * 5.8326% (0.31 1.0 10.00 0.68 0.02) = 5.833% kept HG2 GLU- 68 - HA ARG+ 90 10.000% * 0.1137% (0.09 1.0 1.00 0.44 1.41) = 0.114% T QB PHE 62 - HA ARG+ 90 10.000% * 0.1043% (0.19 1.0 10.00 0.02 0.68) = 0.104% T HB3 ASP- 41 - HA ARG+ 90 10.000% * 0.0359% (0.06 1.0 10.00 0.02 0.02) = 0.036% HG2 GLU- 68 - HA PHE 62 10.000% * 0.0250% (0.44 1.0 1.00 0.02 0.02) = 0.025% HB3 ASN 75 - HA PHE 62 10.000% * 0.0230% (0.41 1.0 1.00 0.02 0.02) = 0.023% HB3 ASN 75 - HA ARG+ 90 10.000% * 0.0048% (0.08 1.0 1.00 0.02 0.41) = 0.005% Peak 434 (5.27, 2.52, 43.40 ppm): 10 chemical-shift based assignments, quality = 0.799, support = 1.77, residual support = 7.02: * O T HA PHE 62 - QB PHE 62 10.000% * 86.4354% (0.89 10.0 10.00 1.94 8.11) = 86.435% kept T HA PHE 62 - HB3 ASP- 41 10.000% * 6.6737% (0.20 1.0 10.00 0.68 0.02) = 6.674% kept T HA ARG+ 90 - HB3 ASP- 41 10.000% * 5.0044% (0.13 1.0 10.00 0.80 0.02) = 5.004% kept HA THR 39 - QB PHE 62 10.000% * 1.1955% (0.94 1.0 1.00 0.26 0.02) = 1.195% kept T HA ARG+ 90 - QB PHE 62 10.000% * 0.5457% (0.56 1.0 10.00 0.02 0.68) = 0.546% HA VAL 52 - QB PHE 62 10.000% * 0.0546% (0.56 1.0 1.00 0.02 0.12) = 0.055% HA TYR 93 - QB PHE 62 10.000% * 0.0469% (0.48 1.0 1.00 0.02 0.02) = 0.047% HA THR 39 - HB3 ASP- 41 10.000% * 0.0208% (0.21 1.0 1.00 0.02 0.14) = 0.021% HA VAL 52 - HB3 ASP- 41 10.000% * 0.0124% (0.13 1.0 1.00 0.02 0.28) = 0.012% HA TYR 93 - HB3 ASP- 41 10.000% * 0.0107% (0.11 1.0 1.00 0.02 0.02) = 0.011% Peak 435 (2.52, 2.52, 43.40 ppm): 2 diagonal assignments: * QB PHE 62 - QB PHE 62 (0.89) kept HB3 ASP- 41 - HB3 ASP- 41 (0.07) kept Peak 436 (5.01, 5.02, 54.35 ppm): 1 diagonal assignment: * HA LEU 63 - HA LEU 63 (0.89) kept Peak 437 (1.44, 5.02, 54.35 ppm): 5 chemical-shift based assignments, quality = 0.913, support = 5.53, residual support = 125.5: * O T HB2 LEU 63 - HA LEU 63 20.000% * 99.7706% (0.91 10.0 10.00 5.54 125.82) = 99.771% kept HB3 ASN 74 - HA LEU 63 20.000% * 0.1043% (0.96 1.0 1.00 0.02 0.02) = 0.104% HG13 ILE 38 - HA LEU 63 20.000% * 0.0656% (0.60 1.0 1.00 0.02 0.84) = 0.066% HG3 LYS+ 72 - HA LEU 63 20.000% * 0.0406% (0.37 1.0 1.00 0.02 0.02) = 0.041% HB3 GLU- 23 - HA LEU 63 20.000% * 0.0189% (0.17 1.0 1.00 0.02 4.86) = 0.019% Peak 438 (5.01, 1.45, 40.44 ppm): 3 chemical-shift based assignments, quality = 0.886, support = 5.52, residual support = 125.4: * O T HA LEU 63 - HB2 LEU 63 33.333% * 99.6611% (0.89 10.0 10.00 5.54 125.82) = 99.661% kept HA PHE 9 - HB2 LEU 63 33.333% * 0.3010% (0.64 1.0 1.00 0.08 0.02) = 0.301% HA VAL 94 - HB2 LEU 63 33.333% * 0.0379% (0.34 1.0 1.00 0.02 0.02) = 0.038% Peak 439 (1.44, 1.45, 40.44 ppm): 1 diagonal assignment: * HB2 LEU 63 - HB2 LEU 63 (0.91) kept Peak 440 (4.78, 4.79, 59.40 ppm): 1 diagonal assignment: * HA THR 64 - HA THR 64 (0.91) kept Peak 441 (4.44, 4.79, 59.40 ppm): 6 chemical-shift based assignments, quality = 0.893, support = 1.68, residual support = 9.24: * O T HB THR 64 - HA THR 64 16.667% * 94.0757% (0.91 10.0 10.00 1.72 9.80) = 94.076% kept HA GLU- 6 - HA THR 64 16.667% * 2.9807% (0.93 1.0 1.00 0.62 0.17) = 2.981% kept HA VAL 61 - HA THR 64 16.667% * 1.6183% (0.15 1.0 1.00 2.11 1.44) = 1.618% kept HA TYR 31 - HA THR 64 16.667% * 1.1471% (0.36 1.0 1.00 0.61 0.02) = 1.147% kept HA TRP 67 - HA THR 64 16.667% * 0.0918% (0.89 1.0 1.00 0.02 0.02) = 0.092% HA1 GLY 98 - HA THR 64 16.667% * 0.0863% (0.84 1.0 1.00 0.02 0.02) = 0.086% Peak 442 (4.78, 4.45, 69.13 ppm): 3 chemical-shift based assignments, quality = 0.909, support = 1.71, residual support = 9.75: * O T HA THR 64 - HB THR 64 33.333% * 99.5437% (0.91 10.0 10.00 1.72 9.80) = 99.544% kept HA LYS+ 55 - HB THR 64 33.333% * 0.4301% (0.30 1.0 1.00 0.26 12.69) = 0.430% HA ILE 85 - HB THR 64 33.333% * 0.0262% (0.24 1.0 1.00 0.02 0.51) = 0.026% Peak 443 (4.44, 4.45, 69.13 ppm): 1 diagonal assignment: * HB THR 64 - HB THR 64 (0.91) kept Peak 444 (3.88, 3.89, 65.70 ppm): 1 diagonal assignment: * HA VAL 65 - HA VAL 65 (0.87) kept Peak 445 (1.98, 3.89, 65.70 ppm): 5 chemical-shift based assignments, quality = 0.961, support = 3.83, residual support = 46.8: * O HB VAL 65 - HA VAL 65 20.000% * 99.8192% (0.96 10.0 3.84 46.86) = 99.819% kept HB3 GLN 83 - HA VAL 65 20.000% * 0.0955% (0.92 1.0 0.02 0.02) = 0.095% HB3 GLU- 77 - HA VAL 65 20.000% * 0.0464% (0.45 1.0 0.02 0.02) = 0.046% HB2 LYS+ 20 - HA VAL 65 20.000% * 0.0230% (0.22 1.0 0.02 0.15) = 0.023% HB3 ARG+ 53 - HA VAL 65 20.000% * 0.0160% (0.15 1.0 0.02 1.28) = 0.016% Peak 446 (3.88, 1.98, 32.24 ppm): 5 chemical-shift based assignments, quality = 0.785, support = 3.01, residual support = 33.2: * O T HA VAL 65 - HB VAL 65 20.000% * 70.3038% (0.84 10.0 10.00 3.84 46.86) = 70.304% kept T HB2 SER 21 - HB VAL 65 20.000% * 29.5629% (0.66 1.0 10.00 1.06 0.79) = 29.563% kept QD PRO 12 - HB VAL 65 20.000% * 0.0649% (0.77 1.0 1.00 0.02 0.02) = 0.065% HA MET 101 - HB VAL 65 20.000% * 0.0524% (0.62 1.0 1.00 0.02 0.02) = 0.052% HA SER 15 - HB VAL 65 20.000% * 0.0160% (0.19 1.0 1.00 0.02 0.17) = 0.016% Peak 447 (1.98, 1.98, 32.24 ppm): 1 diagonal assignment: * HB VAL 65 - HB VAL 65 (0.93) kept Peak 448 (5.07, 5.08, 45.70 ppm): 1 diagonal assignment: * HA1 GLY 66 - HA1 GLY 66 (0.91) kept Peak 449 (4.03, 5.08, 45.70 ppm): 5 chemical-shift based assignments, quality = 0.886, support = 0.961, residual support = 1.79: * O T HA2 GLY 66 - HA1 GLY 66 20.000% * 94.8883% (0.91 10.0 10.00 1.00 1.88) = 94.888% kept T HA1 GLY 5 - HA1 GLY 66 20.000% * 4.9268% (0.40 1.0 10.00 0.24 0.02) = 4.927% kept HA1 GLY 58 - HA1 GLY 66 20.000% * 0.0870% (0.84 1.0 1.00 0.02 0.02) = 0.087% HA2 GLY 98 - HA1 GLY 66 20.000% * 0.0803% (0.77 1.0 1.00 0.02 0.02) = 0.080% HA LYS+ 72 - HA1 GLY 66 20.000% * 0.0176% (0.17 1.0 1.00 0.02 0.02) = 0.018% Peak 450 (5.07, 4.04, 45.70 ppm): 6 chemical-shift based assignments, quality = 0.91, support = 0.997, residual support = 1.87: * O T HA1 GLY 66 - HA2 GLY 66 16.667% * 99.6857% (0.91 10.0 10.00 1.00 1.88) = 99.686% kept HA LYS+ 80 - HA2 GLY 66 16.667% * 0.1054% (0.97 1.0 1.00 0.02 0.02) = 0.105% T HA1 GLY 66 - HA1 GLY 5 16.667% * 0.0981% (0.09 1.0 10.00 0.02 0.02) = 0.098% HA LYS+ 56 - HA2 GLY 66 16.667% * 0.0914% (0.84 1.0 1.00 0.02 0.02) = 0.091% HA LYS+ 80 - HA1 GLY 5 16.667% * 0.0104% (0.09 1.0 1.00 0.02 0.02) = 0.010% HA LYS+ 56 - HA1 GLY 5 16.667% * 0.0090% (0.08 1.0 1.00 0.02 0.02) = 0.009% Peak 451 (4.03, 4.04, 45.70 ppm): 2 diagonal assignments: * HA2 GLY 66 - HA2 GLY 66 (0.91) kept HA1 GLY 5 - HA1 GLY 5 (0.04) kept Peak 452 (4.43, 4.44, 60.13 ppm): 1 diagonal assignment: * HA TRP 67 - HA TRP 67 (0.91) kept Peak 453 (3.44, 4.44, 60.13 ppm): 4 chemical-shift based assignments, quality = 0.911, support = 2.99, residual support = 29.7: * O T HB2 TRP 67 - HA TRP 67 25.000% * 99.7888% (0.91 10.0 10.00 3.00 29.80) = 99.789% kept HB2 TRP 50 - HA TRP 67 25.000% * 0.1034% (0.95 1.0 1.00 0.02 0.02) = 0.103% HA ILE 24 - HA TRP 67 25.000% * 0.0682% (0.62 1.0 1.00 0.02 0.02) = 0.068% HD2 ARG+ 90 - HA TRP 67 25.000% * 0.0396% (0.36 1.0 1.00 0.02 0.88) = 0.040% Peak 454 (3.11, 4.44, 60.13 ppm): 3 chemical-shift based assignments, quality = 0.909, support = 2.78, residual support = 29.3: * O T HB3 TRP 67 - HA TRP 67 33.333% * 98.3985% (0.91 10.0 10.00 2.82 29.80) = 98.399% kept HB2 PHE 9 - HA TRP 67 33.333% * 1.5833% (0.70 1.0 1.00 0.42 0.02) = 1.583% kept HB2 PHE 92 - HA TRP 67 33.333% * 0.0182% (0.17 1.0 1.00 0.02 0.02) = 0.018% Peak 455 (4.43, 3.45, 30.06 ppm): 4 chemical-shift based assignments, quality = 0.911, support = 2.99, residual support = 29.7: * O T HA TRP 67 - HB2 TRP 67 25.000% * 99.7729% (0.91 10.0 10.00 3.00 29.80) = 99.773% kept HA1 GLY 98 - HB2 TRP 67 25.000% * 0.1034% (0.95 1.0 1.00 0.02 0.02) = 0.103% HA GLU- 6 - HB2 TRP 67 25.000% * 0.0640% (0.59 1.0 1.00 0.02 0.14) = 0.064% HB THR 64 - HB2 TRP 67 25.000% * 0.0597% (0.55 1.0 1.00 0.02 0.02) = 0.060% Peak 456 (3.44, 3.45, 30.06 ppm): 1 diagonal assignment: * HB2 TRP 67 - HB2 TRP 67 (0.91) kept Peak 457 (3.11, 3.45, 30.06 ppm): 3 chemical-shift based assignments, quality = 0.909, support = 2.78, residual support = 29.3: * O T HB3 TRP 67 - HB2 TRP 67 33.333% * 98.4006% (0.91 10.0 10.00 2.82 29.80) = 98.401% kept HB2 PHE 9 - HB2 TRP 67 33.333% * 1.5812% (0.70 1.0 1.00 0.42 0.02) = 1.581% kept HB2 PHE 92 - HB2 TRP 67 33.333% * 0.0182% (0.17 1.0 1.00 0.02 0.02) = 0.018% Peak 458 (4.43, 3.12, 30.06 ppm): 4 chemical-shift based assignments, quality = 0.911, support = 2.82, residual support = 29.7: * O T HA TRP 67 - HB3 TRP 67 25.000% * 99.7729% (0.91 10.0 10.00 2.82 29.80) = 99.773% kept HA1 GLY 98 - HB3 TRP 67 25.000% * 0.1034% (0.95 1.0 1.00 0.02 0.02) = 0.103% HA GLU- 6 - HB3 TRP 67 25.000% * 0.0640% (0.59 1.0 1.00 0.02 0.14) = 0.064% HB THR 64 - HB3 TRP 67 25.000% * 0.0597% (0.55 1.0 1.00 0.02 0.02) = 0.060% Peak 459 (3.44, 3.12, 30.06 ppm): 4 chemical-shift based assignments, quality = 0.911, support = 2.82, residual support = 29.7: * O T HB2 TRP 67 - HB3 TRP 67 25.000% * 99.7888% (0.91 10.0 10.00 2.82 29.80) = 99.789% kept HB2 TRP 50 - HB3 TRP 67 25.000% * 0.1034% (0.95 1.0 1.00 0.02 0.02) = 0.103% HA ILE 24 - HB3 TRP 67 25.000% * 0.0682% (0.62 1.0 1.00 0.02 0.02) = 0.068% HD2 ARG+ 90 - HB3 TRP 67 25.000% * 0.0396% (0.36 1.0 1.00 0.02 0.88) = 0.040% Peak 460 (3.11, 3.12, 30.06 ppm): 1 diagonal assignment: * HB3 TRP 67 - HB3 TRP 67 (0.91) kept Peak 461 (3.84, 3.85, 59.27 ppm): 2 diagonal assignments: * HA GLU- 68 - HA GLU- 68 (0.89) kept HA SER 15 - HA SER 15 (0.47) kept Peak 462 (2.19, 3.85, 59.27 ppm): 18 chemical-shift based assignments, quality = 0.865, support = 3.99, residual support = 28.0: * O T QB GLU- 68 - HA GLU- 68 5.556% * 96.1602% (0.89 10.0 10.00 4.14 29.14) = 96.160% kept QG GLU- 6 - HA SER 15 5.556% * 1.6448% (0.63 1.0 1.00 0.48 0.02) = 1.645% kept T QB GLU- 68 - HA SER 15 5.556% * 0.8048% (0.74 1.0 10.00 0.02 0.02) = 0.805% HB2 LEU 42 - HA GLU- 68 5.556% * 0.3979% (0.94 1.0 1.00 0.08 0.02) = 0.398% HB2 PHE 84 - HA GLU- 68 5.556% * 0.3269% (0.56 1.0 1.00 0.11 0.51) = 0.327% HB2 LEU 42 - HA SER 15 5.556% * 0.0849% (0.78 1.0 1.00 0.02 0.02) = 0.085% QG GLU- 6 - HA GLU- 68 5.556% * 0.0819% (0.76 1.0 1.00 0.02 0.02) = 0.082% HB2 GLU- 77 - HA GLU- 68 5.556% * 0.0779% (0.72 1.0 1.00 0.02 0.02) = 0.078% HB2 MET 101 - HA GLU- 68 5.556% * 0.0694% (0.64 1.0 1.00 0.02 0.02) = 0.069% HB2 GLU- 77 - HA SER 15 5.556% * 0.0652% (0.60 1.0 1.00 0.02 0.02) = 0.065% HB2 MET 101 - HA SER 15 5.556% * 0.0581% (0.54 1.0 1.00 0.02 0.02) = 0.058% QG GLU- 77 - HA GLU- 68 5.556% * 0.0522% (0.48 1.0 1.00 0.02 0.02) = 0.052% HB2 PHE 84 - HA SER 15 5.556% * 0.0508% (0.47 1.0 1.00 0.02 0.02) = 0.051% QG GLU- 77 - HA SER 15 5.556% * 0.0437% (0.40 1.0 1.00 0.02 0.02) = 0.044% HB2 LEU 82 - HA GLU- 68 5.556% * 0.0298% (0.28 1.0 1.00 0.02 0.02) = 0.030% HB2 LEU 82 - HA SER 15 5.556% * 0.0250% (0.23 1.0 1.00 0.02 0.48) = 0.025% HB2 GLU- 59 - HA GLU- 68 5.556% * 0.0145% (0.13 1.0 1.00 0.02 0.02) = 0.015% HB2 GLU- 59 - HA SER 15 5.556% * 0.0121% (0.11 1.0 1.00 0.02 0.02) = 0.012% Peak 463 (3.84, 2.20, 29.08 ppm): 5 chemical-shift based assignments, quality = 0.873, support = 4.01, residual support = 28.0: * O T HA GLU- 68 - QB GLU- 68 20.000% * 95.8991% (0.89 10.0 10.00 4.14 29.14) = 95.899% kept HB3 SER 21 - QB GLU- 68 20.000% * 2.9962% (0.49 1.0 1.00 1.15 2.14) = 2.996% kept T HA SER 15 - QB GLU- 68 20.000% * 0.6054% (0.56 1.0 10.00 0.02 0.02) = 0.605% HA2 GLY 27 - QB GLU- 68 20.000% * 0.4827% (0.83 1.0 1.00 0.11 0.02) = 0.483% HA MET 101 - QB GLU- 68 20.000% * 0.0165% (0.15 1.0 1.00 0.02 0.02) = 0.016% Peak 464 (2.19, 2.20, 29.08 ppm): 1 diagonal assignment: * QB GLU- 68 - QB GLU- 68 (0.89) kept Peak 465 (4.48, 4.49, 56.30 ppm): 3 diagonal assignments: * HA ASN 69 - HA ASN 69 (0.91) kept HA LYS+ 60 - HA LYS+ 60 (0.74) kept HA MET 1 - HA MET 1 (0.08) kept Peak 466 (3.20, 4.49, 56.30 ppm): 9 chemical-shift based assignments, quality = 0.845, support = 4.6, residual support = 79.8: * O T HB2 ASN 69 - HA ASN 69 11.111% * 96.7266% (0.87 10.0 10.00 4.76 82.51) = 96.727% kept T HB2 ASN 69 - HA LYS+ 60 11.111% * 0.9892% (0.89 1.0 10.00 0.02 0.02) = 0.989% T HB3 SER 18 - HA LYS+ 60 11.111% * 0.8951% (0.81 1.0 10.00 0.02 0.83) = 0.895% T HB3 SER 18 - HA ASN 69 11.111% * 0.8752% (0.79 1.0 10.00 0.02 0.02) = 0.875% T HB2 ASN 69 - HA MET 1 11.111% * 0.2003% (0.18 1.0 10.00 0.02 0.02) = 0.200% T HB3 SER 18 - HA MET 1 11.111% * 0.1813% (0.16 1.0 10.00 0.02 0.02) = 0.181% HD3 ARG+ 90 - HA LYS+ 60 11.111% * 0.0607% (0.55 1.0 1.00 0.02 0.02) = 0.061% HD3 ARG+ 90 - HA ASN 69 11.111% * 0.0593% (0.54 1.0 1.00 0.02 2.76) = 0.059% HD3 ARG+ 90 - HA MET 1 11.111% * 0.0123% (0.11 1.0 1.00 0.02 0.02) = 0.012% Peak 467 (3.02, 4.49, 56.30 ppm): 21 chemical-shift based assignments, quality = 0.844, support = 4.56, residual support = 77.6: * O HB3 ASN 69 - HA ASN 69 4.762% * 91.4243% (0.87 10.0 4.89 82.51) = 91.424% kept HE2 LYS+ 60 - HA LYS+ 60 4.762% * 3.1735% (0.33 1.0 1.84 62.55) = 3.174% kept HB2 TYR 97 - HA ASN 69 4.762% * 2.9408% (0.94 1.0 0.60 0.14) = 2.941% kept QE LYS+ 72 - HA ASN 69 4.762% * 1.6992% (0.42 1.0 0.77 8.92) = 1.699% kept HB2 TYR 97 - HA LYS+ 60 4.762% * 0.1004% (0.96 1.0 0.02 0.02) = 0.100% QE LYS+ 20 - HA LYS+ 60 4.762% * 0.0958% (0.92 1.0 0.02 0.02) = 0.096% QE LYS+ 20 - HA ASN 69 4.762% * 0.0937% (0.89 1.0 0.02 0.94) = 0.094% HB3 ASN 69 - HA LYS+ 60 4.762% * 0.0935% (0.89 1.0 0.02 0.02) = 0.094% HA ARG+ 88 - HA LYS+ 60 4.762% * 0.0614% (0.59 1.0 0.02 0.02) = 0.061% HA ARG+ 88 - HA ASN 69 4.762% * 0.0601% (0.57 1.0 0.02 3.18) = 0.060% QE LYS+ 72 - HA LYS+ 60 4.762% * 0.0454% (0.43 1.0 0.02 0.46) = 0.045% QE LYS+ 11 - HA LYS+ 60 4.762% * 0.0416% (0.40 1.0 0.02 0.02) = 0.042% QE LYS+ 11 - HA ASN 69 4.762% * 0.0407% (0.39 1.0 0.02 0.02) = 0.041% HE2 LYS+ 60 - HA ASN 69 4.762% * 0.0338% (0.32 1.0 0.02 0.02) = 0.034% HB2 TYR 97 - HA MET 1 4.762% * 0.0203% (0.19 1.0 0.02 0.02) = 0.020% QE LYS+ 20 - HA MET 1 4.762% * 0.0194% (0.19 1.0 0.02 0.02) = 0.019% HB3 ASN 69 - HA MET 1 4.762% * 0.0189% (0.18 1.0 0.02 0.02) = 0.019% HA ARG+ 88 - HA MET 1 4.762% * 0.0124% (0.12 1.0 0.02 0.02) = 0.012% QE LYS+ 72 - HA MET 1 4.762% * 0.0092% (0.09 1.0 0.02 0.02) = 0.009% QE LYS+ 11 - HA MET 1 4.762% * 0.0084% (0.08 1.0 0.02 0.02) = 0.008% HE2 LYS+ 60 - HA MET 1 4.762% * 0.0070% (0.07 1.0 0.02 0.02) = 0.007% Peak 468 (4.48, 3.21, 38.25 ppm): 8 chemical-shift based assignments, quality = 0.914, support = 4.48, residual support = 76.6: * O T HA ASN 69 - HB2 ASN 69 12.500% * 92.8391% (0.95 10.0 10.00 4.76 82.51) = 92.839% kept HA TYR 31 - HB2 ASN 69 12.500% * 4.1696% (0.59 1.0 1.00 1.43 0.19) = 4.170% kept HA ASN 74 - HB2 ASN 69 12.500% * 1.1931% (0.93 1.0 1.00 0.26 0.02) = 1.193% kept T HA LYS+ 60 - HB2 ASN 69 12.500% * 0.7352% (0.75 1.0 10.00 0.02 0.02) = 0.735% HA VAL 7 - HB2 ASN 69 12.500% * 0.4883% (0.52 1.0 1.00 0.19 0.02) = 0.488% T HA MET 1 - HB2 ASN 69 12.500% * 0.3955% (0.40 1.0 10.00 0.02 0.02) = 0.395% HA ASN 100 - HB2 ASN 69 12.500% * 0.0928% (0.95 1.0 1.00 0.02 0.02) = 0.093% HA VAL 61 - HB2 ASN 69 12.500% * 0.0863% (0.88 1.0 1.00 0.02 0.02) = 0.086% Peak 469 (3.20, 3.21, 38.25 ppm): 1 diagonal assignment: * HB2 ASN 69 - HB2 ASN 69 (0.90) kept Peak 470 (3.02, 3.21, 38.25 ppm): 7 chemical-shift based assignments, quality = 0.905, support = 5.15, residual support = 79.3: * O HB3 ASN 69 - HB2 ASN 69 14.286% * 96.1594% (0.90 10.0 5.33 82.51) = 96.159% kept HB2 TYR 97 - HB2 ASN 69 14.286% * 3.5538% (0.97 1.0 0.69 0.14) = 3.554% kept QE LYS+ 20 - HB2 ASN 69 14.286% * 0.0985% (0.93 1.0 0.02 0.94) = 0.099% HA ARG+ 88 - HB2 ASN 69 14.286% * 0.0632% (0.59 1.0 0.02 3.18) = 0.063% QE LYS+ 72 - HB2 ASN 69 14.286% * 0.0467% (0.44 1.0 0.02 8.92) = 0.047% QE LYS+ 11 - HB2 ASN 69 14.286% * 0.0428% (0.40 1.0 0.02 0.02) = 0.043% HE2 LYS+ 60 - HB2 ASN 69 14.286% * 0.0355% (0.33 1.0 0.02 0.02) = 0.036% Peak 471 (4.48, 3.03, 38.25 ppm): 8 chemical-shift based assignments, quality = 0.912, support = 4.59, residual support = 75.7: * O T HA ASN 69 - HB3 ASN 69 12.500% * 91.7845% (0.95 10.0 10.00 4.89 82.51) = 91.785% kept HA TYR 31 - HB3 ASN 69 12.500% * 5.4540% (0.59 1.0 1.00 1.89 0.19) = 5.454% kept HA ASN 74 - HB3 ASN 69 12.500% * 1.1796% (0.93 1.0 1.00 0.26 0.02) = 1.180% kept T HA LYS+ 60 - HB3 ASN 69 12.500% * 0.7268% (0.75 1.0 10.00 0.02 0.02) = 0.727% T HA MET 1 - HB3 ASN 69 12.500% * 0.3910% (0.40 1.0 10.00 0.02 0.02) = 0.391% HA VAL 7 - HB3 ASN 69 12.500% * 0.2870% (0.52 1.0 1.00 0.11 0.02) = 0.287% HA ASN 100 - HB3 ASN 69 12.500% * 0.0918% (0.95 1.0 1.00 0.02 0.02) = 0.092% HA VAL 61 - HB3 ASN 69 12.500% * 0.0853% (0.88 1.0 1.00 0.02 0.02) = 0.085% Peak 472 (3.20, 3.03, 38.25 ppm): 3 chemical-shift based assignments, quality = 0.896, support = 5.23, residual support = 80.7: * O T HB2 ASN 69 - HB3 ASN 69 33.333% * 97.7572% (0.90 10.0 10.00 5.33 82.51) = 97.757% kept HD3 ARG+ 90 - HB3 ASN 69 33.333% * 2.1543% (0.55 1.0 1.00 0.72 2.76) = 2.154% kept HB3 SER 18 - HB3 ASN 69 33.333% * 0.0885% (0.82 1.0 1.00 0.02 0.02) = 0.088% Peak 473 (3.02, 3.03, 38.25 ppm): 1 diagonal assignment: * HB3 ASN 69 - HB3 ASN 69 (0.90) kept Peak 474 (2.43, 2.44, 62.31 ppm): 1 diagonal assignment: * HA PHE 70 - HA PHE 70 (0.89) kept Peak 475 (1.88, 2.44, 62.31 ppm): 10 chemical-shift based assignments, quality = 0.907, support = 1.95, residual support = 11.8: * O T QB PHE 70 - HA PHE 70 10.000% * 94.1191% (0.92 10.0 10.00 2.00 12.30) = 94.119% kept HB VAL 7 - HA PHE 70 10.000% * 5.2551% (0.76 1.0 1.00 1.35 4.11) = 5.255% kept QB LYS+ 80 - HA PHE 70 10.000% * 0.3067% (0.72 1.0 1.00 0.08 0.02) = 0.307% HB3 GLU- 59 - HA PHE 70 10.000% * 0.0740% (0.72 1.0 1.00 0.02 0.02) = 0.074% QB LYS+ 72 - HA PHE 70 10.000% * 0.0618% (0.61 1.0 1.00 0.02 4.48) = 0.062% QB MET 54 - HA PHE 70 10.000% * 0.0536% (0.52 1.0 1.00 0.02 0.02) = 0.054% HB2 LYS+ 17 - HA PHE 70 10.000% * 0.0419% (0.41 1.0 1.00 0.02 0.02) = 0.042% HB3 LYS+ 11 - HA PHE 70 10.000% * 0.0383% (0.37 1.0 1.00 0.02 0.02) = 0.038% HB3 PRO 33 - HA PHE 70 10.000% * 0.0315% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG3 PRO 33 - HA PHE 70 10.000% * 0.0179% (0.17 1.0 1.00 0.02 0.02) = 0.018% Peak 476 (2.43, 1.89, 38.70 ppm): 2 chemical-shift based assignments, quality = 0.878, support = 2.0, residual support = 12.3: * O T HA PHE 70 - QB PHE 70 50.000% * 99.8896% (0.88 10.0 10.00 2.00 12.30) = 99.890% kept HB2 PRO 37 - QB PHE 70 50.000% * 0.1104% (0.97 1.0 1.00 0.02 0.02) = 0.110% Peak 477 (1.88, 1.89, 38.70 ppm): 1 diagonal assignment: * QB PHE 70 - QB PHE 70 (0.90) kept Peak 481 (1.91, 1.92, 32.15 ppm): 1 diagonal assignment: * HB VAL 71 - HB VAL 71 (0.90) kept Peak 482 (3.99, 4.00, 59.09 ppm): 1 diagonal assignment: * HA LYS+ 72 - HA LYS+ 72 (0.89) kept Peak 483 (1.86, 4.00, 59.09 ppm): 9 chemical-shift based assignments, quality = 0.879, support = 4.44, residual support = 59.5: * O T QB LYS+ 72 - HA LYS+ 72 11.111% * 88.8014% (0.89 10.0 10.00 4.86 66.93) = 88.801% kept HB3 PRO 33 - HA LYS+ 72 11.111% * 7.4098% (0.99 1.0 1.00 1.50 0.75) = 7.410% kept HG3 PRO 33 - HA LYS+ 72 11.111% * 1.7422% (0.91 1.0 1.00 0.38 0.75) = 1.742% kept HB3 LYS+ 11 - HA LYS+ 72 11.111% * 0.7623% (0.99 1.0 1.00 0.15 2.56) = 0.762% HD3 PRO 25 - HA LYS+ 72 11.111% * 0.6363% (0.22 1.0 1.00 0.58 0.02) = 0.636% QB MET 54 - HA LYS+ 72 11.111% * 0.5301% (0.94 1.0 1.00 0.11 0.02) = 0.530% HB3 ARG+ 90 - HA LYS+ 72 11.111% * 0.0561% (0.56 1.0 1.00 0.02 0.02) = 0.056% QE MET 10 - HA LYS+ 72 11.111% * 0.0444% (0.44 1.0 1.00 0.02 0.02) = 0.044% QB PHE 70 - HA LYS+ 72 11.111% * 0.0173% (0.17 1.0 1.00 0.02 4.48) = 0.017% Peak 484 (3.99, 1.87, 32.67 ppm): 4 chemical-shift based assignments, quality = 0.887, support = 4.85, residual support = 66.8: * O T HA LYS+ 72 - QB LYS+ 72 25.000% * 99.8031% (0.89 10.0 10.00 4.86 66.93) = 99.803% kept HB2 SER 15 - QB LYS+ 72 25.000% * 0.1074% (0.96 1.0 1.00 0.02 0.49) = 0.107% HA1 GLY 5 - QB LYS+ 72 25.000% * 0.0675% (0.60 1.0 1.00 0.02 0.02) = 0.067% HA1 GLY 58 - QB LYS+ 72 25.000% * 0.0220% (0.20 1.0 1.00 0.02 0.02) = 0.022% Peak 485 (1.86, 1.87, 32.67 ppm): 1 diagonal assignment: * QB LYS+ 72 - QB LYS+ 72 (0.89) kept Peak 486 (4.33, 4.33, 56.96 ppm): 1 diagonal assignment: * HA ASP- 73 - HA ASP- 73 (0.89) kept Peak 487 (2.79, 4.33, 56.96 ppm): 5 chemical-shift based assignments, quality = 0.95, support = 1.72, residual support = 16.8: * O T HB2 ASP- 73 - HA ASP- 73 20.000% * 99.3162% (0.96 10.0 10.00 1.73 16.89) = 99.316% kept T HB3 PHE 28 - HA ASP- 73 20.000% * 0.5414% (0.52 1.0 10.00 0.02 0.02) = 0.541% HB2 TYR 81 - HA ASP- 73 20.000% * 0.0666% (0.64 1.0 1.00 0.02 0.02) = 0.067% HB3 TYR 93 - HA ASP- 73 20.000% * 0.0501% (0.48 1.0 1.00 0.02 0.02) = 0.050% HB3 PHE 92 - HA ASP- 73 20.000% * 0.0257% (0.25 1.0 1.00 0.02 0.02) = 0.026% Peak 488 (4.33, 2.79, 41.08 ppm): 18 chemical-shift based assignments, quality = 0.756, support = 1.73, residual support = 17.2: * O T HA ASP- 73 - HB2 ASP- 73 5.556% * 88.4997% (0.85 10.0 10.00 1.73 16.89) = 88.500% kept O HA PHE 28 - HB3 PHE 28 5.556% * 5.6773% (0.06 10.0 1.00 1.93 22.10) = 5.677% kept O T HA PHE 28 - HB2 PHE 28 5.556% * 4.6207% (0.04 10.0 10.00 1.93 22.10) = 4.621% kept T HA PHE 28 - HB2 ASP- 73 5.556% * 0.4424% (0.42 1.0 10.00 0.02 0.02) = 0.442% HA ALA 2 - HB2 ASP- 73 5.556% * 0.4311% (0.85 1.0 1.00 0.10 0.02) = 0.431% T HA ASP- 73 - HB3 PHE 28 5.556% * 0.1175% (0.11 1.0 10.00 0.02 0.02) = 0.118% HB THR 4 - HB2 ASP- 73 5.556% * 0.0678% (0.65 1.0 1.00 0.02 0.02) = 0.068% HA THR 4 - HB2 ASP- 73 5.556% * 0.0480% (0.46 1.0 1.00 0.02 0.02) = 0.048% HA ILE 38 - HB2 ASP- 73 5.556% * 0.0305% (0.29 1.0 1.00 0.02 0.02) = 0.030% HA ALA 2 - HB3 PHE 28 5.556% * 0.0118% (0.11 1.0 1.00 0.02 0.02) = 0.012% HA ALA 2 - HB2 PHE 28 5.556% * 0.0092% (0.09 1.0 1.00 0.02 0.02) = 0.009% HA ASP- 73 - HB2 PHE 28 5.556% * 0.0092% (0.09 1.0 1.00 0.02 0.02) = 0.009% HB THR 4 - HB3 PHE 28 5.556% * 0.0090% (0.09 1.0 1.00 0.02 0.02) = 0.009% HB THR 4 - HB2 PHE 28 5.556% * 0.0071% (0.07 1.0 1.00 0.02 0.02) = 0.007% HA THR 4 - HB3 PHE 28 5.556% * 0.0064% (0.06 1.0 1.00 0.02 0.02) = 0.006% HA THR 4 - HB2 PHE 28 5.556% * 0.0050% (0.05 1.0 1.00 0.02 0.02) = 0.005% HA ILE 38 - HB3 PHE 28 5.556% * 0.0040% (0.04 1.0 1.00 0.02 0.02) = 0.004% HA ILE 38 - HB2 PHE 28 5.556% * 0.0032% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 489 (2.79, 2.79, 41.08 ppm): 2 diagonal assignments: * HB2 ASP- 73 - HB2 ASP- 73 (0.91) kept HB3 PHE 28 - HB3 PHE 28 (0.07) kept Peak 490 (4.48, 4.49, 53.43 ppm): 2 diagonal assignments: * HA ASN 74 - HA ASN 74 (0.90) kept HA ASN 100 - HA ASN 100 (0.87) kept Peak 491 (2.13, 4.49, 53.43 ppm): 12 chemical-shift based assignments, quality = 0.864, support = 1.9, residual support = 12.0: * O T HB2 ASN 74 - HA ASN 74 8.333% * 57.4935% (0.88 10.0 10.00 2.32 19.98) = 57.494% kept T HB3 MET 101 - HA ASN 100 8.333% * 40.4962% (0.89 1.0 10.00 1.40 1.17) = 40.496% kept T HB3 MET 101 - HA ASN 74 8.333% * 0.6187% (0.95 1.0 10.00 0.02 0.02) = 0.619% T HB2 ASN 74 - HA ASN 100 8.333% * 0.5387% (0.82 1.0 10.00 0.02 0.02) = 0.539% T HB2 MET 1 - HA ASN 74 8.333% * 0.2874% (0.44 1.0 10.00 0.02 0.30) = 0.287% T HB2 MET 1 - HA ASN 100 8.333% * 0.2693% (0.41 1.0 10.00 0.02 0.02) = 0.269% QB MET 10 - HA ASN 74 8.333% * 0.0635% (0.97 1.0 1.00 0.02 4.79) = 0.064% HB ILE 85 - HA ASN 74 8.333% * 0.0606% (0.93 1.0 1.00 0.02 0.63) = 0.061% QB MET 10 - HA ASN 100 8.333% * 0.0595% (0.91 1.0 1.00 0.02 0.02) = 0.060% HB ILE 85 - HA ASN 100 8.333% * 0.0568% (0.87 1.0 1.00 0.02 0.02) = 0.057% QG GLN 8 - HA ASN 74 8.333% * 0.0287% (0.44 1.0 1.00 0.02 0.02) = 0.029% QG GLN 8 - HA ASN 100 8.333% * 0.0269% (0.41 1.0 1.00 0.02 0.02) = 0.027% Peak 492 (4.48, 2.14, 39.10 ppm): 8 chemical-shift based assignments, quality = 0.891, support = 2.26, residual support = 19.3: * O T HA ASN 74 - HB2 ASN 74 12.500% * 96.0386% (0.91 10.0 10.00 2.32 19.98) = 96.039% kept HA VAL 7 - HB2 ASN 74 12.500% * 2.6009% (0.48 1.0 1.00 1.03 2.94) = 2.601% kept T HA ASN 100 - HB2 ASN 74 12.500% * 0.9842% (0.94 1.0 10.00 0.02 0.02) = 0.984% HA ASN 69 - HB2 ASN 74 12.500% * 0.0984% (0.94 1.0 1.00 0.02 0.02) = 0.098% HA VAL 61 - HB2 ASN 74 12.500% * 0.0960% (0.91 1.0 1.00 0.02 0.02) = 0.096% HA LYS+ 60 - HB2 ASN 74 12.500% * 0.0755% (0.72 1.0 1.00 0.02 0.02) = 0.076% HA TYR 31 - HB2 ASN 74 12.500% * 0.0673% (0.64 1.0 1.00 0.02 0.24) = 0.067% HA MET 1 - HB2 ASN 74 12.500% * 0.0390% (0.37 1.0 1.00 0.02 0.30) = 0.039% Peak 493 (2.13, 2.14, 39.10 ppm): 1 diagonal assignment: * HB2 ASN 74 - HB2 ASN 74 (0.89) kept Peak 494 (4.26, 4.26, 54.11 ppm): 1 diagonal assignment: * HA ASN 75 - HA ASN 75 (0.91) kept Peak 495 (2.87, 4.26, 54.11 ppm): 1 chemical-shift based assignment, quality = 0.891, support = 5.0, residual support = 85.9: * O T HB2 ASN 75 - HA ASN 75 100.000% *100.0000% (0.89 10.0 10.00 5.00 85.93) = 100.000% kept Peak 496 (2.53, 4.26, 54.11 ppm): 6 chemical-shift based assignments, quality = 0.863, support = 4.27, residual support = 82.7: * O T HB3 ASN 75 - HA ASN 75 16.667% * 96.2220% (0.89 10.0 10.00 4.42 85.93) = 96.222% kept T HB3 TYR 81 - HA ASN 75 16.667% * 3.5139% (0.17 1.0 10.00 0.38 0.02) = 3.514% kept QB PHE 62 - HA ASN 75 16.667% * 0.0935% (0.87 1.0 1.00 0.02 0.02) = 0.093% HB3 ASP- 41 - HA ASN 75 16.667% * 0.0871% (0.81 1.0 1.00 0.02 0.02) = 0.087% HB2 ARG+ 90 - HA ASN 75 16.667% * 0.0674% (0.62 1.0 1.00 0.02 0.41) = 0.067% HG3 MET 1 - HA ASN 75 16.667% * 0.0161% (0.15 1.0 1.00 0.02 0.02) = 0.016% Peak 497 (4.26, 2.88, 37.74 ppm): 4 chemical-shift based assignments, quality = 0.919, support = 4.96, residual support = 85.2: * O T HA ASN 75 - HB2 ASN 75 25.000% * 99.1441% (0.93 10.0 10.00 5.00 85.93) = 99.144% kept HA GLU- 59 - HB2 ASN 75 25.000% * 0.7292% (0.93 1.0 1.00 0.15 0.02) = 0.729% HA PHE 13 - HB2 ASN 75 25.000% * 0.0909% (0.85 1.0 1.00 0.02 0.02) = 0.091% HD2 PRO 33 - HB2 ASN 75 25.000% * 0.0358% (0.33 1.0 1.00 0.02 0.02) = 0.036% Peak 498 (2.87, 2.88, 37.74 ppm): 1 diagonal assignment: * HB2 ASN 75 - HB2 ASN 75 (0.90) kept Peak 499 (2.53, 2.88, 37.74 ppm): 6 chemical-shift based assignments, quality = 0.902, support = 4.3, residual support = 85.7: * O T HB3 ASN 75 - HB2 ASN 75 16.667% * 99.7075% (0.90 10.0 10.00 4.31 85.93) = 99.707% kept QB PHE 62 - HB2 ASN 75 16.667% * 0.0969% (0.88 1.0 1.00 0.02 0.02) = 0.097% HB3 ASP- 41 - HB2 ASN 75 16.667% * 0.0902% (0.82 1.0 1.00 0.02 0.02) = 0.090% HB2 ARG+ 90 - HB2 ASN 75 16.667% * 0.0699% (0.63 1.0 1.00 0.02 0.41) = 0.070% HB3 TYR 81 - HB2 ASN 75 16.667% * 0.0189% (0.17 1.0 1.00 0.02 0.02) = 0.019% HG3 MET 1 - HB2 ASN 75 16.667% * 0.0167% (0.15 1.0 1.00 0.02 0.02) = 0.017% Peak 500 (4.26, 2.54, 37.74 ppm): 4 chemical-shift based assignments, quality = 0.912, support = 4.35, residual support = 84.5: * O T HA ASN 75 - HB3 ASN 75 25.000% * 98.3395% (0.93 10.0 10.00 4.42 85.93) = 98.339% kept T HA PHE 13 - HB3 ASN 75 25.000% * 0.9018% (0.85 1.0 10.00 0.02 0.02) = 0.902% HA GLU- 59 - HB3 ASN 75 25.000% * 0.7233% (0.93 1.0 1.00 0.15 0.02) = 0.723% HD2 PRO 33 - HB3 ASN 75 25.000% * 0.0355% (0.33 1.0 1.00 0.02 0.02) = 0.035% Peak 501 (2.87, 2.54, 37.74 ppm): 1 chemical-shift based assignment, quality = 0.905, support = 4.31, residual support = 85.9: * O T HB2 ASN 75 - HB3 ASN 75 100.000% *100.0000% (0.90 10.0 10.00 4.31 85.93) = 100.000% kept Peak 502 (2.53, 2.54, 37.74 ppm): 1 diagonal assignment: * HB3 ASN 75 - HB3 ASN 75 (0.90) kept Peak 503 (3.52, 3.52, 56.69 ppm): 1 diagonal assignment: * HA LEU 76 - HA LEU 76 (0.91) kept Peak 504 (0.80, 3.52, 56.69 ppm): 5 chemical-shift based assignments, quality = 0.922, support = 5.11, residual support = 117.9: * O T HB2 LEU 76 - HA LEU 76 20.000% * 86.1321% (0.91 10.0 10.00 5.68 133.84) = 86.132% kept QG2 ILE 96 - HA LEU 76 20.000% * 8.6094% (0.99 1.0 1.00 1.85 30.20) = 8.609% kept QG2 VAL 61 - HA LEU 76 20.000% * 5.1398% (0.94 1.0 1.00 1.16 0.39) = 5.140% kept HG LEU 22 - HA LEU 76 20.000% * 0.0837% (0.89 1.0 1.00 0.02 0.02) = 0.084% HG13 ILE 24 - HA LEU 76 20.000% * 0.0350% (0.37 1.0 1.00 0.02 0.42) = 0.035% Peak 505 (-0.26, 3.52, 56.69 ppm): 1 chemical-shift based assignment, quality = 0.889, support = 5.98, residual support = 133.8: * O T HB3 LEU 76 - HA LEU 76 100.000% *100.0000% (0.89 10.0 10.00 5.98 133.84) = 100.000% kept Peak 506 (3.52, 0.81, 40.94 ppm): 5 chemical-shift based assignments, quality = 0.921, support = 4.29, residual support = 97.0: * O T HA LEU 76 - HB2 LEU 76 20.000% * 72.2666% (0.90 10.0 10.00 5.68 133.84) = 72.267% kept T HA GLU- 23 - HB2 LEU 76 20.000% * 25.6383% (0.97 1.0 10.00 0.66 0.96) = 25.638% kept HB3 SER 15 - HB2 LEU 76 20.000% * 2.0001% (0.88 1.0 1.00 0.57 0.02) = 2.000% kept QB SER 49 - HB2 LEU 76 20.000% * 0.0506% (0.63 1.0 1.00 0.02 0.02) = 0.051% HD3 PRO 37 - HB2 LEU 76 20.000% * 0.0443% (0.55 1.0 1.00 0.02 0.02) = 0.044% Peak 507 (0.80, 0.81, 40.94 ppm): 1 diagonal assignment: * HB2 LEU 76 - HB2 LEU 76 (0.90) kept Peak 508 (-0.26, 0.81, 40.94 ppm): 1 chemical-shift based assignment, quality = 0.879, support = 5.71, residual support = 133.8: * O T HB3 LEU 76 - HB2 LEU 76 100.000% *100.0000% (0.88 10.0 10.00 5.71 133.84) = 100.000% kept Peak 509 (3.52, -0.25, 40.94 ppm): 5 chemical-shift based assignments, quality = 0.918, support = 5.62, residual support = 123.1: * O T HA LEU 76 - HB3 LEU 76 20.000% * 91.9504% (0.91 10.0 10.00 5.98 133.84) = 91.950% kept HA GLU- 23 - HB3 LEU 76 20.000% * 7.8394% (0.98 1.0 1.00 1.59 0.96) = 7.839% kept HB3 SER 15 - HB3 LEU 76 20.000% * 0.0893% (0.89 1.0 1.00 0.02 0.02) = 0.089% QB SER 49 - HB3 LEU 76 20.000% * 0.0644% (0.64 1.0 1.00 0.02 0.02) = 0.064% HD3 PRO 37 - HB3 LEU 76 20.000% * 0.0564% (0.56 1.0 1.00 0.02 0.02) = 0.056% Peak 510 (0.80, -0.25, 40.94 ppm): 5 chemical-shift based assignments, quality = 0.921, support = 5.02, residual support = 115.2: * O T HB2 LEU 76 - HB3 LEU 76 20.000% * 84.2142% (0.91 10.0 10.00 5.71 133.84) = 84.214% kept QG2 ILE 96 - HB3 LEU 76 20.000% * 8.1162% (0.99 1.0 1.00 1.78 30.20) = 8.116% kept QG2 VAL 61 - HB3 LEU 76 20.000% * 4.5672% (0.94 1.0 1.00 1.06 0.39) = 4.567% kept HG LEU 22 - HB3 LEU 76 20.000% * 3.0681% (0.89 1.0 1.00 0.75 0.02) = 3.068% kept HG13 ILE 24 - HB3 LEU 76 20.000% * 0.0342% (0.37 1.0 1.00 0.02 0.42) = 0.034% Peak 511 (-0.26, -0.25, 40.94 ppm): 1 diagonal assignment: * HB3 LEU 76 - HB3 LEU 76 (0.89) kept Peak 512 (4.65, 4.66, 54.08 ppm): 1 diagonal assignment: * HA GLU- 77 - HA GLU- 77 (0.90) kept Peak 513 (2.20, 4.66, 54.08 ppm): 7 chemical-shift based assignments, quality = 0.816, support = 3.78, residual support = 45.4: * O T HB2 GLU- 77 - HA GLU- 77 14.286% * 55.6905% (0.90 10.0 10.00 4.39 45.58) = 55.691% kept O T QG GLU- 77 - HA GLU- 77 14.286% * 43.8077% (0.71 10.0 10.00 3.05 45.58) = 43.808% kept QG GLU- 6 - HA GLU- 77 14.286% * 0.3085% (0.93 1.0 1.00 0.11 0.02) = 0.308% QB GLU- 68 - HA GLU- 77 14.286% * 0.0602% (0.98 1.0 1.00 0.02 0.02) = 0.060% HB2 LEU 42 - HA GLU- 77 14.286% * 0.0602% (0.98 1.0 1.00 0.02 0.02) = 0.060% HB2 MET 101 - HA GLU- 77 14.286% * 0.0523% (0.85 1.0 1.00 0.02 0.02) = 0.052% HB2 PHE 84 - HA GLU- 77 14.286% * 0.0206% (0.33 1.0 1.00 0.02 0.02) = 0.021% Peak 514 (1.95, 4.66, 54.08 ppm): 9 chemical-shift based assignments, quality = 0.919, support = 4.15, residual support = 44.6: * O HB3 GLU- 77 - HA GLU- 77 11.111% * 97.7449% (0.93 10.0 4.24 45.58) = 97.745% kept HB3 ARG+ 53 - HA GLU- 77 11.111% * 1.3650% (0.93 1.0 0.28 0.02) = 1.365% kept QB GLU- 6 - HA GLU- 77 11.111% * 0.6021% (0.40 1.0 0.28 0.02) = 0.602% QG PRO 37 - HA GLU- 77 11.111% * 0.0710% (0.67 1.0 0.02 0.02) = 0.071% HB3 TYR 31 - HA GLU- 77 11.111% * 0.0710% (0.67 1.0 0.02 0.02) = 0.071% HB3 GLN 83 - HA GLU- 77 11.111% * 0.0503% (0.48 1.0 0.02 0.02) = 0.050% HB3 GLU- 16 - HA GLU- 77 11.111% * 0.0388% (0.37 1.0 0.02 0.02) = 0.039% HB2 LYS+ 60 - HA GLU- 77 11.111% * 0.0388% (0.37 1.0 0.02 0.02) = 0.039% HB VAL 65 - HA GLU- 77 11.111% * 0.0181% (0.17 1.0 0.02 0.02) = 0.018% Peak 515 (4.65, 2.21, 33.97 ppm): 3 chemical-shift based assignments, quality = 0.904, support = 4.39, residual support = 45.5: * O T HA GLU- 77 - HB2 GLU- 77 33.333% * 99.8595% (0.90 10.0 10.00 4.39 45.58) = 99.860% kept HA ASP- 3 - HB2 GLU- 77 33.333% * 0.0999% (0.90 1.0 1.00 0.02 0.02) = 0.100% HA ILE 96 - HB2 GLU- 77 33.333% * 0.0406% (0.37 1.0 1.00 0.02 1.18) = 0.041% Peak 516 (2.20, 2.21, 33.97 ppm): 1 diagonal assignment: * HB2 GLU- 77 - HB2 GLU- 77 (0.90) kept Peak 517 (1.95, 2.21, 33.97 ppm): 9 chemical-shift based assignments, quality = 0.923, support = 4.11, residual support = 45.4: * O HB3 GLU- 77 - HB2 GLU- 77 11.111% * 99.5639% (0.93 10.0 4.13 45.58) = 99.564% kept HB3 ARG+ 53 - HB2 GLU- 77 11.111% * 0.0996% (0.93 1.0 0.02 0.02) = 0.100% QG PRO 37 - HB2 GLU- 77 11.111% * 0.0723% (0.67 1.0 0.02 0.02) = 0.072% HB3 TYR 31 - HB2 GLU- 77 11.111% * 0.0723% (0.67 1.0 0.02 0.02) = 0.072% HB3 GLN 83 - HB2 GLU- 77 11.111% * 0.0512% (0.48 1.0 0.02 0.02) = 0.051% QB GLU- 6 - HB2 GLU- 77 11.111% * 0.0433% (0.40 1.0 0.02 0.02) = 0.043% HB3 GLU- 16 - HB2 GLU- 77 11.111% * 0.0395% (0.37 1.0 0.02 0.02) = 0.040% HB2 LYS+ 60 - HB2 GLU- 77 11.111% * 0.0395% (0.37 1.0 0.02 0.02) = 0.040% HB VAL 65 - HB2 GLU- 77 11.111% * 0.0184% (0.17 1.0 0.02 0.02) = 0.018% Peak 518 (4.65, 1.96, 33.97 ppm): 3 chemical-shift based assignments, quality = 0.89, support = 4.24, residual support = 45.5: * O T HA GLU- 77 - HB3 GLU- 77 33.333% * 99.8595% (0.89 10.0 10.00 4.24 45.58) = 99.860% kept HA ASP- 3 - HB3 GLU- 77 33.333% * 0.0999% (0.89 1.0 1.00 0.02 0.02) = 0.100% HA ILE 96 - HB3 GLU- 77 33.333% * 0.0406% (0.36 1.0 1.00 0.02 1.18) = 0.041% Peak 519 (2.20, 1.96, 33.97 ppm): 7 chemical-shift based assignments, quality = 0.805, support = 3.69, residual support = 45.5: * O T HB2 GLU- 77 - HB3 GLU- 77 14.286% * 55.8309% (0.89 10.0 10.00 4.13 45.58) = 55.831% kept O T QG GLU- 77 - HB3 GLU- 77 14.286% * 43.9181% (0.70 10.0 10.00 3.15 45.58) = 43.918% kept QB GLU- 68 - HB3 GLU- 77 14.286% * 0.0603% (0.96 1.0 1.00 0.02 0.02) = 0.060% HB2 LEU 42 - HB3 GLU- 77 14.286% * 0.0603% (0.96 1.0 1.00 0.02 0.02) = 0.060% QG GLU- 6 - HB3 GLU- 77 14.286% * 0.0572% (0.91 1.0 1.00 0.02 0.02) = 0.057% HB2 MET 101 - HB3 GLU- 77 14.286% * 0.0525% (0.84 1.0 1.00 0.02 0.02) = 0.052% HB2 PHE 84 - HB3 GLU- 77 14.286% * 0.0206% (0.33 1.0 1.00 0.02 0.02) = 0.021% Peak 520 (1.95, 1.96, 33.97 ppm): 1 diagonal assignment: * HB3 GLU- 77 - HB3 GLU- 77 (0.91) kept Peak 521 (4.87, 4.88, 57.18 ppm): 2 diagonal assignments: * HA ASP- 78 - HA ASP- 78 (0.91) kept HA TYR 97 - HA TYR 97 (0.11) kept Peak 522 (2.73, 4.88, 57.18 ppm): 8 chemical-shift based assignments, quality = 0.709, support = 2.33, residual support = 14.8: * O T QB ASP- 78 - HA ASP- 78 12.500% * 62.5720% (0.85 10.0 10.00 2.40 12.61) = 62.572% kept O T HB3 TYR 97 - HA TYR 97 12.500% * 36.2970% (0.49 10.0 10.00 2.29 19.12) = 36.297% kept T HB3 TYR 97 - HA ASP- 78 12.500% * 0.6733% (0.91 1.0 10.00 0.02 0.02) = 0.673% T QB ASP- 78 - HA TYR 97 12.500% * 0.3373% (0.46 1.0 10.00 0.02 0.02) = 0.337% HB2 ASN 100 - HA ASP- 78 12.500% * 0.0660% (0.89 1.0 1.00 0.02 0.02) = 0.066% HB2 ASN 100 - HA TYR 97 12.500% * 0.0356% (0.48 1.0 1.00 0.02 0.02) = 0.036% QB ASP- 3 - HA ASP- 78 12.500% * 0.0122% (0.17 1.0 1.00 0.02 0.02) = 0.012% QB ASP- 3 - HA TYR 97 12.500% * 0.0066% (0.09 1.0 1.00 0.02 0.32) = 0.007% Peak 523 (4.87, 2.74, 41.00 ppm): 4 chemical-shift based assignments, quality = 0.888, support = 2.38, residual support = 13.0: * O T HA ASP- 78 - QB ASP- 78 25.000% * 92.3348% (0.96 10.0 10.00 2.40 12.61) = 92.335% kept O T HA TYR 97 - HB3 TYR 97 25.000% * 7.1426% (0.07 10.0 10.00 2.29 19.12) = 7.143% kept T HA ASP- 78 - HB3 TYR 97 25.000% * 0.3096% (0.32 1.0 10.00 0.02 0.02) = 0.310% T HA TYR 97 - QB ASP- 78 25.000% * 0.2130% (0.22 1.0 10.00 0.02 0.02) = 0.213% Peak 524 (2.73, 2.74, 41.00 ppm): 2 diagonal assignments: * QB ASP- 78 - QB ASP- 78 (0.89) kept HB3 TYR 97 - HB3 TYR 97 (0.32) kept Peak 525 (4.59, 4.60, 45.16 ppm): 1 diagonal assignment: * HA1 GLY 79 - HA1 GLY 79 (0.90) kept Peak 526 (3.70, 4.60, 45.16 ppm): 2 chemical-shift based assignments, quality = 0.905, support = 1.93, residual support = 13.9: * O T HA2 GLY 79 - HA1 GLY 79 50.000% * 99.9759% (0.90 10.0 10.00 1.93 13.95) = 99.976% kept HD3 PRO 33 - HA1 GLY 79 50.000% * 0.0241% (0.22 1.0 1.00 0.02 1.02) = 0.024% Peak 527 (4.59, 3.71, 45.16 ppm): 2 chemical-shift based assignments, quality = 0.905, support = 1.93, residual support = 13.9: * O T HA1 GLY 79 - HA2 GLY 79 50.000% * 99.9699% (0.90 10.0 10.00 1.93 13.95) = 99.970% kept HA LYS+ 17 - HA2 GLY 79 50.000% * 0.0301% (0.27 1.0 1.00 0.02 0.02) = 0.030% Peak 528 (3.70, 3.71, 45.16 ppm): 1 diagonal assignment: * HA2 GLY 79 - HA2 GLY 79 (0.90) kept Peak 529 (5.07, 5.08, 55.39 ppm): 1 diagonal assignment: * HA LYS+ 80 - HA LYS+ 80 (0.90) kept Peak 530 (4.80, 4.81, 58.12 ppm): 1 diagonal assignment: * HA TYR 81 - HA TYR 81 (0.91) kept Peak 531 (2.80, 4.81, 58.12 ppm): 6 chemical-shift based assignments, quality = 0.901, support = 1.21, residual support = 7.58: * O T HB2 TYR 81 - HA TYR 81 16.667% * 98.7059% (0.91 10.0 10.00 1.23 7.68) = 98.706% kept HB3 PHE 92 - HA TYR 81 16.667% * 0.9591% (0.57 1.0 1.00 0.31 0.02) = 0.959% T HB2 PHE 28 - HA TYR 81 16.667% * 0.2024% (0.19 1.0 10.00 0.02 0.20) = 0.202% HB2 ASP- 73 - HA TYR 81 16.667% * 0.0944% (0.87 1.0 1.00 0.02 0.02) = 0.094% HB3 PHE 28 - HA TYR 81 16.667% * 0.0202% (0.19 1.0 1.00 0.02 0.20) = 0.020% HB3 TYR 93 - HA TYR 81 16.667% * 0.0179% (0.17 1.0 1.00 0.02 0.02) = 0.018% Peak 532 (2.55, 4.81, 58.12 ppm): 6 chemical-shift based assignments, quality = 0.854, support = 1.33, residual support = 5.73: * O T HB3 TYR 81 - HA TYR 81 16.667% * 71.1552% (0.91 10.0 10.00 1.50 7.68) = 71.155% kept T HE2 LYS+ 56 - HA TYR 81 16.667% * 24.9756% (0.72 1.0 10.00 0.89 1.05) = 24.976% kept HB3 PHE 13 - HA TYR 81 16.667% * 2.5255% (0.50 1.0 1.00 1.30 0.02) = 2.526% kept HG3 MET 1 - HA TYR 81 16.667% * 1.2630% (0.89 1.0 1.00 0.36 0.02) = 1.263% kept HB3 ASP- 41 - HA TYR 81 16.667% * 0.0447% (0.57 1.0 1.00 0.02 0.02) = 0.045% HB3 ASN 75 - HA TYR 81 16.667% * 0.0359% (0.46 1.0 1.00 0.02 0.02) = 0.036% Peak 533 (4.80, 2.81, 41.60 ppm): 6 chemical-shift based assignments, quality = 0.901, support = 1.22, residual support = 7.59: * O T HA TYR 81 - HB2 TYR 81 16.667% * 98.1461% (0.91 10.0 10.00 1.23 7.68) = 98.146% kept HA THR 64 - HB2 TYR 81 16.667% * 1.6408% (0.32 1.0 1.00 0.95 3.02) = 1.641% kept T HA TYR 81 - HB2 PHE 28 16.667% * 0.1507% (0.14 1.0 10.00 0.02 0.20) = 0.151% HA TRP 50 - HB2 TYR 81 16.667% * 0.0495% (0.46 1.0 1.00 0.02 0.02) = 0.050% HA TRP 50 - HB2 PHE 28 16.667% * 0.0076% (0.07 1.0 1.00 0.02 0.02) = 0.008% HA THR 64 - HB2 PHE 28 16.667% * 0.0053% (0.05 1.0 1.00 0.02 0.02) = 0.005% Peak 534 (2.80, 2.81, 41.60 ppm): 2 diagonal assignments: * HB2 TYR 81 - HB2 TYR 81 (0.91) kept HB2 PHE 28 - HB2 PHE 28 (0.03) kept Peak 535 (2.55, 2.81, 41.60 ppm): 12 chemical-shift based assignments, quality = 0.888, support = 1.18, residual support = 7.41: * O T HB3 TYR 81 - HB2 TYR 81 8.333% * 96.4533% (0.91 10.0 10.00 1.21 7.68) = 96.453% kept HB3 PHE 13 - HB2 TYR 81 8.333% * 1.4690% (0.50 1.0 1.00 0.56 0.02) = 1.469% kept T HE2 LYS+ 56 - HB2 PHE 28 8.333% * 0.9225% (0.11 1.0 10.00 0.16 0.02) = 0.923% T HE2 LYS+ 56 - HB2 TYR 81 8.333% * 0.7638% (0.72 1.0 10.00 0.02 1.05) = 0.764% T HB3 TYR 81 - HB2 PHE 28 8.333% * 0.1481% (0.14 1.0 10.00 0.02 0.20) = 0.148% HG3 MET 1 - HB2 TYR 81 8.333% * 0.0945% (0.89 1.0 1.00 0.02 0.02) = 0.095% HB3 ASP- 41 - HB2 TYR 81 8.333% * 0.0606% (0.57 1.0 1.00 0.02 0.02) = 0.061% HB3 ASN 75 - HB2 TYR 81 8.333% * 0.0486% (0.46 1.0 1.00 0.02 0.02) = 0.049% HG3 MET 1 - HB2 PHE 28 8.333% * 0.0145% (0.14 1.0 1.00 0.02 0.02) = 0.015% HB3 ASP- 41 - HB2 PHE 28 8.333% * 0.0093% (0.09 1.0 1.00 0.02 0.02) = 0.009% HB3 PHE 13 - HB2 PHE 28 8.333% * 0.0081% (0.08 1.0 1.00 0.02 0.34) = 0.008% HB3 ASN 75 - HB2 PHE 28 8.333% * 0.0075% (0.07 1.0 1.00 0.02 0.12) = 0.007% Peak 536 (4.80, 2.56, 41.60 ppm): 6 chemical-shift based assignments, quality = 0.816, support = 1.39, residual support = 6.52: * O T HA TYR 81 - HB3 TYR 81 16.667% * 82.0797% (0.91 10.0 10.00 1.50 7.68) = 82.080% kept T HA TYR 81 - HE2 LYS+ 56 16.667% * 15.6366% (0.39 1.0 10.00 0.89 1.05) = 15.637% kept HA THR 64 - HB3 TYR 81 16.667% * 1.6297% (0.32 1.0 1.00 1.12 3.02) = 1.630% kept HA THR 64 - HE2 LYS+ 56 16.667% * 0.5947% (0.14 1.0 1.00 0.95 3.30) = 0.595% HA TRP 50 - HB3 TYR 81 16.667% * 0.0414% (0.46 1.0 1.00 0.02 0.02) = 0.041% HA TRP 50 - HE2 LYS+ 56 16.667% * 0.0178% (0.20 1.0 1.00 0.02 0.02) = 0.018% Peak 537 (2.80, 2.56, 41.60 ppm): 12 chemical-shift based assignments, quality = 0.898, support = 1.19, residual support = 7.56: * O T HB2 TYR 81 - HB3 TYR 81 8.333% * 98.4106% (0.91 10.0 10.00 1.21 7.68) = 98.411% kept HB3 PHE 28 - HB3 TYR 81 8.333% * 0.6207% (0.19 1.0 1.00 0.62 0.20) = 0.621% T HB2 TYR 81 - HE2 LYS+ 56 8.333% * 0.4230% (0.39 1.0 10.00 0.02 1.05) = 0.423% T HB2 PHE 28 - HB3 TYR 81 8.333% * 0.2018% (0.19 1.0 10.00 0.02 0.20) = 0.202% HB2 ASP- 73 - HB3 TYR 81 8.333% * 0.0941% (0.87 1.0 1.00 0.02 0.02) = 0.094% T HB2 PHE 28 - HE2 LYS+ 56 8.333% * 0.0867% (0.08 1.0 10.00 0.02 0.02) = 0.087% HB3 PHE 92 - HB3 TYR 81 8.333% * 0.0618% (0.57 1.0 1.00 0.02 0.02) = 0.062% HB2 ASP- 73 - HE2 LYS+ 56 8.333% * 0.0405% (0.38 1.0 1.00 0.02 0.02) = 0.040% HB3 PHE 92 - HE2 LYS+ 56 8.333% * 0.0266% (0.25 1.0 1.00 0.02 0.02) = 0.027% HB3 TYR 93 - HB3 TYR 81 8.333% * 0.0179% (0.17 1.0 1.00 0.02 0.02) = 0.018% HB3 PHE 28 - HE2 LYS+ 56 8.333% * 0.0087% (0.08 1.0 1.00 0.02 0.02) = 0.009% HB3 TYR 93 - HE2 LYS+ 56 8.333% * 0.0077% (0.07 1.0 1.00 0.02 0.02) = 0.008% Peak 538 (2.55, 2.56, 41.60 ppm): 2 diagonal assignments: * HB3 TYR 81 - HB3 TYR 81 (0.91) kept HE2 LYS+ 56 - HE2 LYS+ 56 (0.31) kept Peak 539 (5.15, 5.16, 53.93 ppm): 2 diagonal assignments: * HA LEU 82 - HA LEU 82 (0.91) kept HA LYS+ 11 - HA LYS+ 11 (0.56) kept Peak 540 (2.16, 5.16, 53.93 ppm): 14 chemical-shift based assignments, quality = 0.843, support = 3.28, residual support = 77.2: * O T HB2 LEU 82 - HA LEU 82 7.143% * 92.8210% (0.87 10.0 10.00 3.51 82.56) = 92.821% kept T HB2 LEU 82 - HA LYS+ 11 7.143% * 4.9851% (0.53 1.0 10.00 0.18 11.78) = 4.985% kept QG GLN 8 - HA LEU 82 7.143% * 1.7488% (0.74 1.0 1.00 0.44 0.65) = 1.749% kept HB2 GLU- 59 - HA LEU 82 7.143% * 0.1033% (0.96 1.0 1.00 0.02 0.02) = 0.103% HB2 GLU- 59 - HA LYS+ 11 7.143% * 0.0628% (0.59 1.0 1.00 0.02 0.02) = 0.063% HB2 PHE 84 - HA LEU 82 7.143% * 0.0628% (0.59 1.0 1.00 0.02 0.16) = 0.063% QG GLN 8 - HA LYS+ 11 7.143% * 0.0481% (0.45 1.0 1.00 0.02 0.02) = 0.048% HB2 PHE 84 - HA LYS+ 11 7.143% * 0.0382% (0.36 1.0 1.00 0.02 0.02) = 0.038% HB2 ASN 74 - HA LEU 82 7.143% * 0.0319% (0.30 1.0 1.00 0.02 0.02) = 0.032% HB ILE 85 - HA LEU 82 7.143% * 0.0258% (0.24 1.0 1.00 0.02 0.02) = 0.026% HB3 MET 101 - HA LEU 82 7.143% * 0.0230% (0.21 1.0 1.00 0.02 0.02) = 0.023% HB2 ASN 74 - HA LYS+ 11 7.143% * 0.0194% (0.18 1.0 1.00 0.02 0.12) = 0.019% HB ILE 85 - HA LYS+ 11 7.143% * 0.0157% (0.15 1.0 1.00 0.02 0.02) = 0.016% HB3 MET 101 - HA LYS+ 11 7.143% * 0.0140% (0.13 1.0 1.00 0.02 0.02) = 0.014% Peak 541 (1.24, 5.16, 53.93 ppm): 10 chemical-shift based assignments, quality = 0.762, support = 2.92, residual support = 61.5: * O T HB3 LEU 82 - HA LEU 82 10.000% * 70.7892% (0.87 10.0 10.00 3.65 82.56) = 70.789% kept T HB3 LEU 82 - HA LYS+ 11 10.000% * 26.1939% (0.53 1.0 10.00 1.22 11.78) = 26.194% kept HB3 LYS+ 56 - HA LYS+ 11 10.000% * 1.9993% (0.58 1.0 1.00 0.85 0.76) = 1.999% kept QG1 VAL 65 - HA LYS+ 11 10.000% * 0.7939% (0.43 1.0 1.00 0.46 0.10) = 0.794% HB3 LYS+ 56 - HA LEU 82 10.000% * 0.0774% (0.95 1.0 1.00 0.02 0.72) = 0.077% QG1 VAL 65 - HA LEU 82 10.000% * 0.0573% (0.70 1.0 1.00 0.02 0.02) = 0.057% HB3 LEU 42 - HA LEU 82 10.000% * 0.0415% (0.51 1.0 1.00 0.02 0.21) = 0.042% HB3 LEU 42 - HA LYS+ 11 10.000% * 0.0253% (0.31 1.0 1.00 0.02 0.02) = 0.025% HG3 GLU- 23 - HA LEU 82 10.000% * 0.0138% (0.17 1.0 1.00 0.02 0.66) = 0.014% HG3 GLU- 23 - HA LYS+ 11 10.000% * 0.0084% (0.10 1.0 1.00 0.02 1.21) = 0.008% Peak 542 (5.15, 2.17, 45.70 ppm): 2 chemical-shift based assignments, quality = 0.938, support = 3.24, residual support = 76.8: * O T HA LEU 82 - HB2 LEU 82 50.000% * 91.8895% (0.94 10.0 10.00 3.51 82.56) = 91.889% kept T HA LYS+ 11 - HB2 LEU 82 50.000% * 8.1105% (0.94 1.0 10.00 0.18 11.78) = 8.111% kept Peak 543 (2.16, 2.17, 45.70 ppm): 1 diagonal assignment: * HB2 LEU 82 - HB2 LEU 82 (0.89) kept Peak 544 (1.24, 2.17, 45.70 ppm): 5 chemical-shift based assignments, quality = 0.887, support = 5.23, residual support = 82.3: * O T HB3 LEU 82 - HB2 LEU 82 20.000% * 99.7323% (0.89 10.0 10.00 5.24 82.56) = 99.732% kept HB3 LYS+ 56 - HB2 LEU 82 20.000% * 0.1090% (0.97 1.0 1.00 0.02 0.72) = 0.109% QG1 VAL 65 - HB2 LEU 82 20.000% * 0.0808% (0.72 1.0 1.00 0.02 0.02) = 0.081% HB3 LEU 42 - HB2 LEU 82 20.000% * 0.0585% (0.52 1.0 1.00 0.02 0.21) = 0.059% HG3 GLU- 23 - HB2 LEU 82 20.000% * 0.0195% (0.17 1.0 1.00 0.02 0.66) = 0.019% Peak 545 (5.15, 1.25, 45.70 ppm): 2 chemical-shift based assignments, quality = 0.938, support = 2.73, residual support = 55.8: * O T HA LEU 82 - HB3 LEU 82 50.000% * 62.1843% (0.94 10.0 10.00 3.65 82.56) = 62.184% kept T HA LYS+ 11 - HB3 LEU 82 50.000% * 37.8157% (0.94 1.0 10.00 1.22 11.78) = 37.816% kept Peak 546 (2.16, 1.25, 45.70 ppm): 7 chemical-shift based assignments, quality = 0.876, support = 5.04, residual support = 78.9: * O T HB2 LEU 82 - HB3 LEU 82 14.286% * 95.4900% (0.89 10.0 10.00 5.24 82.56) = 95.490% kept QG GLN 8 - HB3 LEU 82 14.286% * 3.0686% (0.76 1.0 1.00 0.75 0.65) = 3.069% kept HB2 ASN 74 - HB3 LEU 82 14.286% * 1.2203% (0.31 1.0 1.00 0.74 0.02) = 1.220% kept HB2 GLU- 59 - HB3 LEU 82 14.286% * 0.1062% (0.99 1.0 1.00 0.02 0.02) = 0.106% HB2 PHE 84 - HB3 LEU 82 14.286% * 0.0646% (0.60 1.0 1.00 0.02 0.16) = 0.065% HB ILE 85 - HB3 LEU 82 14.286% * 0.0265% (0.25 1.0 1.00 0.02 0.02) = 0.027% HB3 MET 101 - HB3 LEU 82 14.286% * 0.0237% (0.22 1.0 1.00 0.02 0.02) = 0.024% Peak 547 (1.24, 1.25, 45.70 ppm): 1 diagonal assignment: * HB3 LEU 82 - HB3 LEU 82 (0.89) kept Peak 548 (5.11, 5.12, 54.62 ppm): 1 diagonal assignment: * HA GLN 83 - HA GLN 83 (0.90) kept Peak 549 (2.27, 5.12, 54.62 ppm): 5 chemical-shift based assignments, quality = 0.889, support = 4.83, residual support = 58.8: * O T HG2 GLN 83 - HA GLN 83 20.000% * 98.3000% (0.90 10.0 10.00 4.92 59.82) = 98.300% kept T HB3 GLN 8 - HA GLN 83 20.000% * 0.8527% (0.78 1.0 10.00 0.02 0.02) = 0.853% T HB VAL 40 - HA GLN 83 20.000% * 0.5183% (0.48 1.0 10.00 0.02 0.20) = 0.518% T QG GLU- 16 - HA GLN 83 20.000% * 0.2961% (0.27 1.0 10.00 0.02 0.23) = 0.296% HB2 PRO 25 - HA GLN 83 20.000% * 0.0329% (0.30 1.0 1.00 0.02 0.02) = 0.033% Peak 550 (2.06, 5.12, 54.62 ppm): 7 chemical-shift based assignments, quality = 0.892, support = 4.13, residual support = 58.0: * O T HG3 GLN 83 - HA GLN 83 14.286% * 97.0173% (0.90 10.0 10.00 4.24 59.82) = 97.017% kept QG PRO 12 - HA GLN 83 14.286% * 2.3638% (0.59 1.0 1.00 0.74 0.02) = 2.364% kept T HB2 LYS+ 11 - HA GLN 83 14.286% * 0.5116% (0.48 1.0 10.00 0.02 0.50) = 0.512% HB ILE 38 - HA GLN 83 14.286% * 0.0324% (0.30 1.0 1.00 0.02 0.02) = 0.032% QB ARG+ 88 - HA GLN 83 14.286% * 0.0324% (0.30 1.0 1.00 0.02 0.02) = 0.032% HB VAL 52 - HA GLN 83 14.286% * 0.0262% (0.24 1.0 1.00 0.02 0.02) = 0.026% HG2 PRO 33 - HA GLN 83 14.286% * 0.0162% (0.15 1.0 1.00 0.02 0.02) = 0.016% Peak 551 (5.11, 2.27, 33.32 ppm): 4 chemical-shift based assignments, quality = 0.918, support = 3.84, residual support = 44.9: * O T HA GLN 83 - HG2 GLN 83 25.000% * 75.0295% (0.90 10.0 10.00 4.92 59.82) = 75.029% kept T HA VAL 40 - HG2 GLN 83 25.000% * 24.8719% (0.96 1.0 10.00 0.62 0.20) = 24.872% kept T HA VAL 40 - HB3 GLN 8 25.000% * 0.0508% (0.06 1.0 10.00 0.02 0.02) = 0.051% T HA GLN 83 - HB3 GLN 8 25.000% * 0.0479% (0.06 1.0 10.00 0.02 0.02) = 0.048% Peak 552 (2.27, 2.27, 33.32 ppm): 2 diagonal assignments: * HG2 GLN 83 - HG2 GLN 83 (0.90) kept HB3 GLN 8 - HB3 GLN 8 (0.05) kept Peak 553 (2.06, 2.27, 33.32 ppm): 14 chemical-shift based assignments, quality = 0.902, support = 2.95, residual support = 59.6: * O T HG3 GLN 83 - HG2 GLN 83 7.143% * 99.6935% (0.90 10.0 10.00 2.96 59.82) = 99.694% kept QG PRO 12 - HG2 GLN 83 7.143% * 0.0655% (0.59 1.0 1.00 0.02 0.02) = 0.066% T HG3 GLN 83 - HB3 GLN 8 7.143% * 0.0636% (0.06 1.0 10.00 0.02 0.02) = 0.064% HB2 LYS+ 11 - HG2 GLN 83 7.143% * 0.0526% (0.48 1.0 1.00 0.02 0.50) = 0.053% HB ILE 38 - HG2 GLN 83 7.143% * 0.0333% (0.30 1.0 1.00 0.02 0.02) = 0.033% QB ARG+ 88 - HG2 GLN 83 7.143% * 0.0333% (0.30 1.0 1.00 0.02 0.02) = 0.033% HB VAL 52 - HG2 GLN 83 7.143% * 0.0269% (0.24 1.0 1.00 0.02 0.02) = 0.027% HG2 PRO 33 - HG2 GLN 83 7.143% * 0.0167% (0.15 1.0 1.00 0.02 0.02) = 0.017% QG PRO 12 - HB3 GLN 8 7.143% * 0.0042% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB2 LYS+ 11 - HB3 GLN 8 7.143% * 0.0034% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB ILE 38 - HB3 GLN 8 7.143% * 0.0021% (0.02 1.0 1.00 0.02 0.02) = 0.002% QB ARG+ 88 - HB3 GLN 8 7.143% * 0.0021% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB VAL 52 - HB3 GLN 8 7.143% * 0.0017% (0.02 1.0 1.00 0.02 1.23) = 0.002% HG2 PRO 33 - HB3 GLN 8 7.143% * 0.0011% (0.01 1.0 1.00 0.02 0.73) = 0.001% Peak 554 (5.11, 2.07, 33.32 ppm): 2 chemical-shift based assignments, quality = 0.901, support = 4.22, residual support = 59.5: * O T HA GLN 83 - HG3 GLN 83 50.000% * 99.5277% (0.90 10.0 10.00 4.24 59.82) = 99.528% kept HA VAL 40 - HG3 GLN 83 50.000% * 0.4723% (0.96 1.0 1.00 0.09 0.20) = 0.472% Peak 555 (2.27, 2.07, 33.32 ppm): 5 chemical-shift based assignments, quality = 0.889, support = 2.91, residual support = 58.8: * O T HG2 GLN 83 - HG3 GLN 83 20.000% * 98.3000% (0.90 10.0 10.00 2.96 59.82) = 98.300% kept T HB3 GLN 8 - HG3 GLN 83 20.000% * 0.8527% (0.78 1.0 10.00 0.02 0.02) = 0.853% T HB VAL 40 - HG3 GLN 83 20.000% * 0.5183% (0.48 1.0 10.00 0.02 0.20) = 0.518% T QG GLU- 16 - HG3 GLN 83 20.000% * 0.2961% (0.27 1.0 10.00 0.02 0.23) = 0.296% HB2 PRO 25 - HG3 GLN 83 20.000% * 0.0329% (0.30 1.0 1.00 0.02 0.02) = 0.033% Peak 556 (2.06, 2.07, 33.32 ppm): 1 diagonal assignment: * HG3 GLN 83 - HG3 GLN 83 (0.90) kept Peak 557 (4.95, 4.96, 56.76 ppm): 2 diagonal assignments: * HA PHE 84 - HA PHE 84 (0.91) kept HA SER 21 - HA SER 21 (0.32) kept Peak 558 (2.17, 4.96, 56.76 ppm): 12 chemical-shift based assignments, quality = 0.858, support = 2.04, residual support = 16.2: * O T HB2 PHE 84 - HA PHE 84 8.333% * 98.2058% (0.87 10.0 10.00 2.08 16.48) = 98.206% kept HB2 GLU- 59 - HA PHE 84 8.333% * 0.9776% (0.82 1.0 1.00 0.21 0.02) = 0.978% T HB2 PHE 84 - HA SER 21 8.333% * 0.4906% (0.44 1.0 10.00 0.02 0.43) = 0.491% HB2 LEU 82 - HA PHE 84 8.333% * 0.1054% (0.94 1.0 1.00 0.02 0.16) = 0.105% HB2 LEU 82 - HA SER 21 8.333% * 0.0527% (0.47 1.0 1.00 0.02 0.87) = 0.053% HB2 GLU- 59 - HA SER 21 8.333% * 0.0461% (0.41 1.0 1.00 0.02 0.02) = 0.046% QG GLN 8 - HA PHE 84 8.333% * 0.0437% (0.39 1.0 1.00 0.02 0.69) = 0.044% QG GLN 8 - HA SER 21 8.333% * 0.0218% (0.19 1.0 1.00 0.02 0.02) = 0.022% HB2 LEU 42 - HA PHE 84 8.333% * 0.0211% (0.19 1.0 1.00 0.02 0.02) = 0.021% QB GLU- 68 - HA PHE 84 8.333% * 0.0164% (0.15 1.0 1.00 0.02 0.51) = 0.016% HB2 LEU 42 - HA SER 21 8.333% * 0.0105% (0.09 1.0 1.00 0.02 0.02) = 0.011% QB GLU- 68 - HA SER 21 8.333% * 0.0082% (0.07 1.0 1.00 0.02 2.14) = 0.008% Peak 559 (1.47, 4.96, 56.76 ppm): 16 chemical-shift based assignments, quality = 0.826, support = 1.83, residual support = 14.8: * O T HB3 PHE 84 - HA PHE 84 6.250% * 89.5718% (0.87 10.0 10.00 2.00 16.48) = 89.572% kept T HB3 PHE 84 - HA SER 21 6.250% * 7.1981% (0.44 1.0 10.00 0.32 0.43) = 7.198% kept HB3 GLU- 23 - HA SER 21 6.250% * 1.5661% (0.47 1.0 1.00 0.65 0.30) = 1.566% kept HG3 LYS+ 72 - HA SER 21 6.250% * 1.2347% (0.42 1.0 1.00 0.57 0.15) = 1.235% kept HB3 GLU- 23 - HA PHE 84 6.250% * 0.0970% (0.95 1.0 1.00 0.02 0.02) = 0.097% HG3 LYS+ 72 - HA PHE 84 6.250% * 0.0870% (0.85 1.0 1.00 0.02 0.02) = 0.087% HG2 ARG+ 48 - HA PHE 84 6.250% * 0.0549% (0.54 1.0 1.00 0.02 0.02) = 0.055% HB2 LEU 63 - HA PHE 84 6.250% * 0.0331% (0.32 1.0 1.00 0.02 0.02) = 0.033% HG2 ARG+ 48 - HA SER 21 6.250% * 0.0274% (0.27 1.0 1.00 0.02 4.19) = 0.027% HB3 ASN 74 - HA PHE 84 6.250% * 0.0270% (0.26 1.0 1.00 0.02 0.02) = 0.027% HG12 ILE 95 - HA PHE 84 6.250% * 0.0270% (0.26 1.0 1.00 0.02 0.02) = 0.027% HG3 LYS+ 17 - HA PHE 84 6.250% * 0.0216% (0.21 1.0 1.00 0.02 0.02) = 0.022% HB2 LEU 63 - HA SER 21 6.250% * 0.0165% (0.16 1.0 1.00 0.02 1.66) = 0.017% HG12 ILE 95 - HA SER 21 6.250% * 0.0135% (0.13 1.0 1.00 0.02 0.02) = 0.013% HB3 ASN 74 - HA SER 21 6.250% * 0.0135% (0.13 1.0 1.00 0.02 0.02) = 0.013% HG3 LYS+ 17 - HA SER 21 6.250% * 0.0108% (0.11 1.0 1.00 0.02 0.02) = 0.011% Peak 560 (4.95, 2.18, 41.24 ppm): 2 chemical-shift based assignments, quality = 0.939, support = 2.07, residual support = 16.4: * O T HA PHE 84 - HB2 PHE 84 50.000% * 99.2933% (0.95 10.0 10.00 2.08 16.48) = 99.293% kept T HA SER 21 - HB2 PHE 84 50.000% * 0.7067% (0.67 1.0 10.00 0.02 0.43) = 0.707% Peak 561 (2.17, 2.18, 41.24 ppm): 1 diagonal assignment: * HB2 PHE 84 - HB2 PHE 84 (0.90) kept Peak 562 (1.47, 2.18, 41.24 ppm): 8 chemical-shift based assignments, quality = 0.902, support = 2.05, residual support = 16.2: * O T HB3 PHE 84 - HB2 PHE 84 12.500% * 98.2429% (0.90 10.0 10.00 2.08 16.48) = 98.243% kept HG3 LYS+ 72 - HB2 PHE 84 12.500% * 1.4712% (0.88 1.0 1.00 0.31 0.02) = 1.471% kept HB3 GLU- 23 - HB2 PHE 84 12.500% * 0.1064% (0.98 1.0 1.00 0.02 0.02) = 0.106% HG2 ARG+ 48 - HB2 PHE 84 12.500% * 0.0603% (0.55 1.0 1.00 0.02 0.02) = 0.060% HB2 LEU 63 - HB2 PHE 84 12.500% * 0.0363% (0.33 1.0 1.00 0.02 0.02) = 0.036% HG12 ILE 95 - HB2 PHE 84 12.500% * 0.0296% (0.27 1.0 1.00 0.02 0.02) = 0.030% HB3 ASN 74 - HB2 PHE 84 12.500% * 0.0296% (0.27 1.0 1.00 0.02 0.02) = 0.030% HG3 LYS+ 17 - HB2 PHE 84 12.500% * 0.0237% (0.22 1.0 1.00 0.02 0.02) = 0.024% Peak 563 (4.95, 1.48, 41.24 ppm): 2 chemical-shift based assignments, quality = 0.939, support = 1.99, residual support = 16.4: * O T HA PHE 84 - HB3 PHE 84 50.000% * 99.2933% (0.95 10.0 10.00 2.00 16.48) = 99.293% kept T HA SER 21 - HB3 PHE 84 50.000% * 0.7067% (0.67 1.0 10.00 0.02 0.43) = 0.707% Peak 564 (2.17, 1.48, 41.24 ppm): 6 chemical-shift based assignments, quality = 0.843, support = 1.96, residual support = 15.1: * O T HB2 PHE 84 - HB3 PHE 84 16.667% * 91.4644% (0.90 10.0 10.00 2.08 16.48) = 91.464% kept T QB GLU- 68 - HB3 PHE 84 16.667% * 5.9107% (0.15 1.0 10.00 0.77 0.51) = 5.911% kept QG GLN 8 - HB3 PHE 84 16.667% * 1.5966% (0.40 1.0 1.00 0.78 0.69) = 1.597% kept HB2 GLU- 59 - HB3 PHE 84 16.667% * 0.9105% (0.85 1.0 1.00 0.21 0.02) = 0.911% HB2 LEU 82 - HB3 PHE 84 16.667% * 0.0982% (0.97 1.0 1.00 0.02 0.16) = 0.098% HB2 LEU 42 - HB3 PHE 84 16.667% * 0.0196% (0.19 1.0 1.00 0.02 0.02) = 0.020% Peak 565 (1.47, 1.48, 41.24 ppm): 1 diagonal assignment: * HB3 PHE 84 - HB3 PHE 84 (0.90) kept Peak 566 (4.75, 4.76, 62.01 ppm): 1 diagonal assignment: * HA ILE 85 - HA ILE 85 (0.90) kept Peak 567 (2.13, 4.76, 62.01 ppm): 7 chemical-shift based assignments, quality = 0.861, support = 5.46, residual support = 117.7: * O T HB ILE 85 - HA ILE 85 14.286% * 92.1159% (0.88 10.0 10.00 5.83 127.62) = 92.116% kept HB2 ASN 74 - HA ILE 85 14.286% * 5.5363% (0.82 1.0 1.00 1.29 0.63) = 5.536% kept QG GLN 8 - HA ILE 85 14.286% * 1.5670% (0.37 1.0 1.00 0.81 5.78) = 1.567% kept QB MET 10 - HA ILE 85 14.286% * 0.6161% (0.98 1.0 1.00 0.12 0.02) = 0.616% HB3 MET 101 - HA ILE 85 14.286% * 0.0948% (0.90 1.0 1.00 0.02 0.02) = 0.095% HB2 MET 1 - HA ILE 85 14.286% * 0.0540% (0.52 1.0 1.00 0.02 0.02) = 0.054% HB3 PRO 37 - HA ILE 85 14.286% * 0.0158% (0.15 1.0 1.00 0.02 0.02) = 0.016% Peak 568 (4.75, 2.14, 40.02 ppm): 6 chemical-shift based assignments, quality = 0.912, support = 5.81, residual support = 127.2: * O HA ILE 85 - HB ILE 85 16.667% * 99.6816% (0.91 10.0 5.83 127.62) = 99.682% kept HA LYS+ 55 - HB ILE 85 16.667% * 0.0937% (0.86 1.0 0.02 0.52) = 0.094% HA ALA 34 - HB ILE 85 16.667% * 0.0784% (0.72 1.0 0.02 0.02) = 0.078% HA LYS+ 20 - HB ILE 85 16.667% * 0.0611% (0.56 1.0 0.02 0.02) = 0.061% HA ARG+ 53 - HB ILE 85 16.667% * 0.0611% (0.56 1.0 0.02 0.02) = 0.061% HA HIS 99 - HB ILE 85 16.667% * 0.0240% (0.22 1.0 0.02 0.02) = 0.024% Peak 569 (2.13, 2.14, 40.02 ppm): 1 diagonal assignment: * HB ILE 85 - HB ILE 85 (0.89) kept Peak 570 (5.50, 5.50, 54.50 ppm): 1 diagonal assignment: * HA TYR 86 - HA TYR 86 (0.91) kept Peak 571 (3.29, 5.50, 54.50 ppm): 1 chemical-shift based assignment, quality = 0.913, support = 1.0, residual support = 8.53: * O T HB2 TYR 86 - HA TYR 86 100.000% *100.0000% (0.91 10.0 10.00 1.00 8.53) = 100.000% kept Peak 572 (3.15, 5.50, 54.50 ppm): 4 chemical-shift based assignments, quality = 0.93, support = 0.988, residual support = 8.43: * O T HB3 TYR 86 - HA TYR 86 25.000% * 98.7910% (0.93 10.0 10.00 1.00 8.53) = 98.791% kept T HD2 ARG+ 48 - HA TYR 86 25.000% * 1.0214% (0.96 1.0 10.00 0.02 0.10) = 1.021% kept HB2 PHE 13 - HA TYR 86 25.000% * 0.1021% (0.96 1.0 1.00 0.02 0.02) = 0.102% QB HIS 99 - HA TYR 86 25.000% * 0.0855% (0.81 1.0 1.00 0.02 0.02) = 0.086% Peak 573 (5.50, 3.30, 43.72 ppm): 1 chemical-shift based assignment, quality = 0.913, support = 1.0, residual support = 8.53: * O T HA TYR 86 - HB2 TYR 86 100.000% *100.0000% (0.91 10.0 10.00 1.00 8.53) = 100.000% kept Peak 574 (3.29, 3.30, 43.72 ppm): 1 diagonal assignment: * HB2 TYR 86 - HB2 TYR 86 (0.91) kept Peak 575 (3.15, 3.30, 43.72 ppm): 4 chemical-shift based assignments, quality = 0.93, support = 0.988, residual support = 8.43: * O T HB3 TYR 86 - HB2 TYR 86 25.000% * 98.7910% (0.93 10.0 10.00 1.00 8.53) = 98.791% kept T HD2 ARG+ 48 - HB2 TYR 86 25.000% * 1.0214% (0.96 1.0 10.00 0.02 0.10) = 1.021% kept HB2 PHE 13 - HB2 TYR 86 25.000% * 0.1021% (0.96 1.0 1.00 0.02 0.02) = 0.102% QB HIS 99 - HB2 TYR 86 25.000% * 0.0855% (0.81 1.0 1.00 0.02 0.02) = 0.086% Peak 576 (5.50, 3.16, 43.72 ppm): 3 chemical-shift based assignments, quality = 0.887, support = 0.992, residual support = 8.46: * O T HA TYR 86 - HB3 TYR 86 33.333% * 99.1654% (0.89 10.0 10.00 1.00 8.53) = 99.165% kept T HA TYR 86 - HD2 ARG+ 48 33.333% * 0.8180% (0.74 1.0 10.00 0.02 0.10) = 0.818% HA TYR 86 - HD3 ARG+ 90 33.333% * 0.0165% (0.15 1.0 1.00 0.02 0.58) = 0.017% Peak 577 (3.29, 3.16, 43.72 ppm): 3 chemical-shift based assignments, quality = 0.887, support = 0.992, residual support = 8.46: * O T HB2 TYR 86 - HB3 TYR 86 33.333% * 99.1654% (0.89 10.0 10.00 1.00 8.53) = 99.165% kept T HB2 TYR 86 - HD2 ARG+ 48 33.333% * 0.8180% (0.74 1.0 10.00 0.02 0.10) = 0.818% HB2 TYR 86 - HD3 ARG+ 90 33.333% * 0.0165% (0.15 1.0 1.00 0.02 0.58) = 0.017% Peak 578 (3.15, 3.16, 43.72 ppm): 2 diagonal assignments: * HB3 TYR 86 - HB3 TYR 86 (0.91) kept HD2 ARG+ 48 - HD2 ARG+ 48 (0.78) kept Peak 579 (3.02, 3.03, 59.30 ppm): 1 diagonal assignment: * HA ARG+ 88 - HA ARG+ 88 (0.89) kept Peak 580 (2.08, 3.03, 59.30 ppm): 6 chemical-shift based assignments, quality = 0.905, support = 3.74, residual support = 87.5: * O T QB ARG+ 88 - HA ARG+ 88 16.667% * 95.5946% (0.91 10.0 10.00 3.88 91.54) = 95.595% kept HG3 GLN 83 - HA ARG+ 88 16.667% * 3.0003% (0.76 1.0 1.00 0.76 0.02) = 3.000% kept HG2 MET 54 - HA ARG+ 88 16.667% * 1.2310% (0.60 1.0 1.00 0.39 0.02) = 1.231% kept HB2 LYS+ 11 - HA ARG+ 88 16.667% * 0.1033% (0.99 1.0 1.00 0.02 0.02) = 0.103% HB2 GLU- 16 - HA ARG+ 88 16.667% * 0.0389% (0.37 1.0 1.00 0.02 0.02) = 0.039% HB3 PRO 37 - HA ARG+ 88 16.667% * 0.0320% (0.31 1.0 1.00 0.02 0.02) = 0.032% Peak 581 (3.02, 2.09, 26.60 ppm): 7 chemical-shift based assignments, quality = 0.879, support = 3.79, residual support = 89.1: * O HA ARG+ 88 - QB ARG+ 88 14.286% * 97.2380% (0.88 10.0 3.88 91.54) = 97.238% kept HB3 ASN 69 - QB ARG+ 88 14.286% * 2.4901% (0.97 1.0 0.46 3.18) = 2.490% kept HB2 TYR 97 - QB ARG+ 88 14.286% * 0.0868% (0.78 1.0 0.02 0.02) = 0.087% QE LYS+ 20 - QB ARG+ 88 14.286% * 0.0745% (0.67 1.0 0.02 0.02) = 0.074% HE2 LYS+ 60 - QB ARG+ 88 14.286% * 0.0701% (0.63 1.0 0.02 0.02) = 0.070% QE LYS+ 72 - QB ARG+ 88 14.286% * 0.0215% (0.19 1.0 0.02 0.02) = 0.021% QE LYS+ 11 - QB ARG+ 88 14.286% * 0.0190% (0.17 1.0 0.02 0.02) = 0.019% Peak 582 (2.08, 2.09, 26.60 ppm): 1 diagonal assignment: * QB ARG+ 88 - QB ARG+ 88 (0.90) kept Peak 583 (4.92, 4.92, 54.70 ppm): 1 diagonal assignment: * HA ASP- 89 - HA ASP- 89 (0.91) kept Peak 584 (2.96, 4.92, 54.70 ppm): 8 chemical-shift based assignments, quality = 0.863, support = 2.59, residual support = 26.8: * O HB2 ASP- 89 - HA ASP- 89 12.500% * 88.8991% (0.89 10.0 2.69 29.13) = 88.899% kept HD3 ARG+ 88 - HA ASP- 89 12.500% * 6.9549% (0.57 1.0 2.44 11.31) = 6.955% kept HD3 ARG+ 48 - HA ASP- 89 12.500% * 2.5908% (0.65 1.0 0.80 2.79) = 2.591% kept QE LYS+ 55 - HA ASP- 89 12.500% * 1.2695% (0.82 1.0 0.31 3.73) = 1.270% kept QE LYS+ 17 - HA ASP- 89 12.500% * 0.0938% (0.94 1.0 0.02 0.02) = 0.094% HB3 PHE 9 - HA ASP- 89 12.500% * 0.0931% (0.94 1.0 0.02 0.02) = 0.093% HE3 LYS+ 60 - HA ASP- 89 12.500% * 0.0843% (0.85 1.0 0.02 0.02) = 0.084% QB ASN 29 - HA ASP- 89 12.500% * 0.0145% (0.15 1.0 0.02 0.84) = 0.015% Peak 585 (2.39, 4.92, 54.70 ppm): 4 chemical-shift based assignments, quality = 0.893, support = 2.69, residual support = 28.5: * O T HB3 ASP- 89 - HA ASP- 89 25.000% * 97.9761% (0.89 10.0 10.00 2.74 29.13) = 97.976% kept HE3 LYS+ 56 - HA ASP- 89 25.000% * 1.8572% (0.87 1.0 1.00 0.39 0.02) = 1.857% kept HG3 GLU- 68 - HA ASP- 89 25.000% * 0.0956% (0.87 1.0 1.00 0.02 0.02) = 0.096% HB2 GLN 8 - HA ASP- 89 25.000% * 0.0711% (0.65 1.0 1.00 0.02 0.02) = 0.071% Peak 586 (4.92, 2.96, 40.66 ppm): 2 chemical-shift based assignments, quality = 0.926, support = 2.67, residual support = 28.8: * O T HA ASP- 89 - HB2 ASP- 89 50.000% * 98.9335% (0.93 10.0 10.00 2.69 29.13) = 98.934% kept HA TYR 97 - HB2 ASP- 89 50.000% * 1.0665% (0.43 1.0 1.00 0.46 0.12) = 1.066% kept Peak 587 (2.96, 2.96, 40.66 ppm): 1 diagonal assignment: * HB2 ASP- 89 - HB2 ASP- 89 (0.91) kept Peak 588 (2.39, 2.96, 40.66 ppm): 4 chemical-shift based assignments, quality = 0.911, support = 2.73, residual support = 28.3: * O T HB3 ASP- 89 - HB2 ASP- 89 25.000% * 97.0216% (0.91 10.0 10.00 2.80 29.13) = 97.022% kept HE3 LYS+ 56 - HB2 ASP- 89 25.000% * 2.8133% (0.89 1.0 1.00 0.59 0.02) = 2.813% kept HG3 GLU- 68 - HB2 ASP- 89 25.000% * 0.0947% (0.89 1.0 1.00 0.02 0.02) = 0.095% HB2 GLN 8 - HB2 ASP- 89 25.000% * 0.0705% (0.66 1.0 1.00 0.02 0.02) = 0.070% Peak 589 (4.92, 2.40, 40.66 ppm): 2 chemical-shift based assignments, quality = 0.923, support = 2.72, residual support = 28.9: * O T HA ASP- 89 - HB3 ASP- 89 50.000% * 99.1413% (0.93 10.0 10.00 2.74 29.13) = 99.141% kept HA TYR 97 - HB3 ASP- 89 50.000% * 0.8587% (0.43 1.0 1.00 0.37 0.12) = 0.859% Peak 590 (2.96, 2.40, 40.66 ppm): 8 chemical-shift based assignments, quality = 0.877, support = 2.69, residual support = 26.5: * O HB2 ASP- 89 - HB3 ASP- 89 12.500% * 87.4520% (0.91 10.0 2.80 29.13) = 87.452% kept HD3 ARG+ 88 - HB3 ASP- 89 12.500% * 7.7731% (0.59 1.0 2.77 11.31) = 7.773% kept HD3 ARG+ 48 - HB3 ASP- 89 12.500% * 2.4759% (0.66 1.0 0.78 2.79) = 2.476% kept QE LYS+ 55 - HB3 ASP- 89 12.500% * 2.0179% (0.84 1.0 0.50 3.73) = 2.018% kept QE LYS+ 17 - HB3 ASP- 89 12.500% * 0.0922% (0.96 1.0 0.02 0.02) = 0.092% HB3 PHE 9 - HB3 ASP- 89 12.500% * 0.0916% (0.96 1.0 0.02 0.02) = 0.092% HE3 LYS+ 60 - HB3 ASP- 89 12.500% * 0.0829% (0.87 1.0 0.02 0.02) = 0.083% QB ASN 29 - HB3 ASP- 89 12.500% * 0.0143% (0.15 1.0 0.02 0.84) = 0.014% Peak 591 (2.39, 2.40, 40.66 ppm): 1 diagonal assignment: * HB3 ASP- 89 - HB3 ASP- 89 (0.91) kept Peak 592 (5.25, 5.26, 55.38 ppm): 2 diagonal assignments: * HA ARG+ 90 - HA ARG+ 90 (0.91) kept HA PHE 62 - HA PHE 62 (0.06) kept Peak 593 (2.51, 5.26, 55.38 ppm): 10 chemical-shift based assignments, quality = 0.676, support = 3.04, residual support = 59.1: * O T HB2 ARG+ 90 - HA ARG+ 90 10.000% * 64.2935% (0.89 10.0 10.00 3.90 89.45) = 64.294% kept O T QB PHE 62 - HA PHE 62 10.000% * 18.3958% (0.25 10.0 10.00 1.94 8.11) = 18.396% kept T HB2 ARG+ 90 - HA PHE 62 10.000% * 14.2425% (0.34 1.0 10.00 1.15 0.68) = 14.242% kept T HB3 ASP- 41 - HA PHE 62 10.000% * 1.3986% (0.06 1.0 10.00 0.68 0.02) = 1.399% kept HG2 GLU- 68 - HA ARG+ 90 10.000% * 1.0437% (0.66 1.0 1.00 0.44 1.41) = 1.044% kept T QB PHE 62 - HA ARG+ 90 10.000% * 0.4784% (0.66 1.0 10.00 0.02 0.68) = 0.478% T HB3 ASP- 41 - HA ARG+ 90 10.000% * 0.1075% (0.15 1.0 10.00 0.02 0.02) = 0.107% HG2 GLU- 68 - HA PHE 62 10.000% * 0.0184% (0.25 1.0 1.00 0.02 0.02) = 0.018% HB3 ASN 75 - HA ARG+ 90 10.000% * 0.0155% (0.21 1.0 1.00 0.02 0.41) = 0.016% HB3 ASN 75 - HA PHE 62 10.000% * 0.0060% (0.08 1.0 1.00 0.02 0.02) = 0.006% Peak 594 (1.84, 5.26, 55.38 ppm): 22 chemical-shift based assignments, quality = 0.88, support = 3.51, residual support = 82.5: * O T HB3 ARG+ 90 - HA ARG+ 90 4.545% * 92.1480% (0.93 10.0 10.00 3.74 89.45) = 92.148% kept HB ILE 24 - HA PHE 62 4.545% * 2.1126% (0.24 1.0 1.00 1.78 3.16) = 2.113% kept HD3 PRO 25 - HA PHE 62 4.545% * 1.8012% (0.34 1.0 1.00 1.06 0.02) = 1.801% kept HB ILE 24 - HA ARG+ 90 4.545% * 1.6268% (0.62 1.0 1.00 0.53 0.12) = 1.627% kept HG2 ARG+ 53 - HA ARG+ 90 4.545% * 0.5881% (0.19 1.0 1.00 0.62 0.02) = 0.588% HD3 PRO 25 - HA ARG+ 90 4.545% * 0.5424% (0.89 1.0 1.00 0.12 0.02) = 0.542% T HB3 ARG+ 90 - HA PHE 62 4.545% * 0.3543% (0.36 1.0 10.00 0.02 0.68) = 0.354% HG2 ARG+ 53 - HA PHE 62 4.545% * 0.3255% (0.07 1.0 1.00 0.90 0.19) = 0.325% QE MET 10 - HA ARG+ 90 4.545% * 0.0953% (0.96 1.0 1.00 0.02 0.02) = 0.095% HG LEU 42 - HA ARG+ 90 4.545% * 0.0901% (0.17 1.0 1.00 0.11 2.92) = 0.090% HG3 PRO 33 - HA ARG+ 90 4.545% * 0.0618% (0.62 1.0 1.00 0.02 0.02) = 0.062% HB3 PRO 33 - HA ARG+ 90 4.545% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% QE MET 10 - HA PHE 62 4.545% * 0.0366% (0.37 1.0 1.00 0.02 0.02) = 0.037% HB3 LYS+ 11 - HA ARG+ 90 4.545% * 0.0358% (0.36 1.0 1.00 0.02 0.02) = 0.036% HG LEU 42 - HA PHE 62 4.545% * 0.0256% (0.06 1.0 1.00 0.08 0.02) = 0.026% QB MET 54 - HA ARG+ 90 4.545% * 0.0238% (0.24 1.0 1.00 0.02 0.10) = 0.024% HG3 PRO 33 - HA PHE 62 4.545% * 0.0238% (0.24 1.0 1.00 0.02 0.02) = 0.024% QB LYS+ 72 - HA ARG+ 90 4.545% * 0.0189% (0.19 1.0 1.00 0.02 0.02) = 0.019% HB3 PRO 33 - HA PHE 62 4.545% * 0.0165% (0.17 1.0 1.00 0.02 0.02) = 0.016% HB3 LYS+ 11 - HA PHE 62 4.545% * 0.0138% (0.14 1.0 1.00 0.02 0.02) = 0.014% QB MET 54 - HA PHE 62 4.545% * 0.0092% (0.09 1.0 1.00 0.02 0.02) = 0.009% QB LYS+ 72 - HA PHE 62 4.545% * 0.0073% (0.07 1.0 1.00 0.02 0.02) = 0.007% Peak 595 (5.25, 2.52, 30.72 ppm): 4 chemical-shift based assignments, quality = 0.85, support = 3.61, residual support = 80.5: * O T HA ARG+ 90 - HB2 ARG+ 90 25.000% * 89.9136% (0.93 10.0 10.00 3.90 89.45) = 89.914% kept T HA PHE 62 - HB2 ARG+ 90 25.000% * 9.5901% (0.17 1.0 10.00 1.15 0.68) = 9.590% kept HA THR 39 - HB2 ARG+ 90 25.000% * 0.4751% (0.55 1.0 1.00 0.18 0.85) = 0.475% HA PHE 32 - HB2 ARG+ 90 25.000% * 0.0212% (0.22 1.0 1.00 0.02 0.02) = 0.021% Peak 596 (2.51, 2.52, 30.72 ppm): 1 diagonal assignment: * HB2 ARG+ 90 - HB2 ARG+ 90 (0.90) kept Peak 597 (1.84, 2.52, 30.72 ppm): 11 chemical-shift based assignments, quality = 0.941, support = 4.89, residual support = 89.0: * O T HB3 ARG+ 90 - HB2 ARG+ 90 9.091% * 99.4991% (0.95 10.0 10.00 4.91 89.45) = 99.499% kept QE MET 10 - HB2 ARG+ 90 9.091% * 0.1029% (0.98 1.0 1.00 0.02 0.02) = 0.103% HD3 PRO 25 - HB2 ARG+ 90 9.091% * 0.0952% (0.90 1.0 1.00 0.02 0.02) = 0.095% HG3 PRO 33 - HB2 ARG+ 90 9.091% * 0.0667% (0.63 1.0 1.00 0.02 0.02) = 0.067% HB ILE 24 - HB2 ARG+ 90 9.091% * 0.0667% (0.63 1.0 1.00 0.02 0.12) = 0.067% HB3 PRO 33 - HB2 ARG+ 90 9.091% * 0.0462% (0.44 1.0 1.00 0.02 0.02) = 0.046% HB3 LYS+ 11 - HB2 ARG+ 90 9.091% * 0.0387% (0.37 1.0 1.00 0.02 0.02) = 0.039% QB MET 54 - HB2 ARG+ 90 9.091% * 0.0257% (0.24 1.0 1.00 0.02 0.10) = 0.026% QB LYS+ 72 - HB2 ARG+ 90 9.091% * 0.0204% (0.19 1.0 1.00 0.02 0.02) = 0.020% HG2 ARG+ 53 - HB2 ARG+ 90 9.091% * 0.0204% (0.19 1.0 1.00 0.02 0.02) = 0.020% HG LEU 42 - HB2 ARG+ 90 9.091% * 0.0181% (0.17 1.0 1.00 0.02 2.92) = 0.018% Peak 598 (5.25, 1.85, 30.72 ppm): 4 chemical-shift based assignments, quality = 0.907, support = 3.71, residual support = 88.8: * O T HA ARG+ 90 - HB3 ARG+ 90 25.000% * 99.3258% (0.91 10.0 10.00 3.74 89.45) = 99.326% kept HA THR 39 - HB3 ARG+ 90 25.000% * 0.4669% (0.55 1.0 1.00 0.16 0.85) = 0.467% T HA PHE 62 - HB3 ARG+ 90 25.000% * 0.1839% (0.17 1.0 10.00 0.02 0.68) = 0.184% HA PHE 32 - HB3 ARG+ 90 25.000% * 0.0234% (0.21 1.0 1.00 0.02 0.02) = 0.023% Peak 599 (2.51, 1.85, 30.72 ppm): 5 chemical-shift based assignments, quality = 0.886, support = 4.84, residual support = 88.0: * O T HB2 ARG+ 90 - HB3 ARG+ 90 20.000% * 98.3041% (0.89 10.0 10.00 4.91 89.45) = 98.304% kept HG2 GLU- 68 - HB3 ARG+ 90 20.000% * 1.5827% (0.66 1.0 1.00 0.43 1.41) = 1.583% kept QB PHE 62 - HB3 ARG+ 90 20.000% * 0.0731% (0.66 1.0 1.00 0.02 0.68) = 0.073% HB3 ASN 75 - HB3 ARG+ 90 20.000% * 0.0237% (0.21 1.0 1.00 0.02 0.41) = 0.024% HB3 ASP- 41 - HB3 ARG+ 90 20.000% * 0.0164% (0.15 1.0 1.00 0.02 0.02) = 0.016% Peak 600 (1.84, 1.85, 30.72 ppm): 1 diagonal assignment: * HB3 ARG+ 90 - HB3 ARG+ 90 (0.93) kept Peak 601 (5.37, 5.38, 63.71 ppm): 1 diagonal assignment: * HA THR 91 - HA THR 91 (0.89) kept Peak 602 (5.86, 5.87, 56.17 ppm): 1 diagonal assignment: * HA PHE 92 - HA PHE 92 (0.89) kept Peak 603 (3.08, 5.87, 56.17 ppm): 3 chemical-shift based assignments, quality = 0.914, support = 2.89, residual support = 23.7: * O HB2 PHE 92 - HA PHE 92 33.333% * 99.8587% (0.91 10.0 2.90 23.74) = 99.859% kept QB PHE 32 - HA PHE 92 33.333% * 0.1044% (0.96 1.0 0.02 3.52) = 0.104% HB2 PHE 9 - HA PHE 92 33.333% * 0.0369% (0.34 1.0 0.02 0.02) = 0.037% Peak 604 (2.81, 5.87, 56.17 ppm): 5 chemical-shift based assignments, quality = 0.907, support = 3.21, residual support = 23.5: * O T HB3 PHE 92 - HA PHE 92 20.000% * 99.1730% (0.91 10.0 10.00 3.24 23.74) = 99.173% kept HB2 PHE 28 - HA PHE 92 20.000% * 0.6363% (0.48 1.0 1.00 0.24 0.02) = 0.636% HB2 TYR 81 - HA PHE 92 20.000% * 0.1016% (0.94 1.0 1.00 0.02 0.02) = 0.102% HB2 ASP- 73 - HA PHE 92 20.000% * 0.0652% (0.60 1.0 1.00 0.02 0.02) = 0.065% HB2 TYR 31 - HA PHE 92 20.000% * 0.0239% (0.22 1.0 1.00 0.02 0.11) = 0.024% Peak 606 (3.08, 3.09, 42.80 ppm): 1 diagonal assignment: * HB2 PHE 92 - HB2 PHE 92 (0.90) kept Peak 607 (2.81, 3.09, 42.80 ppm): 5 chemical-shift based assignments, quality = 0.903, support = 3.27, residual support = 23.7: * O T HB3 PHE 92 - HB2 PHE 92 20.000% * 99.7556% (0.90 10.0 10.00 3.28 23.74) = 99.756% kept HB2 TYR 81 - HB2 PHE 92 20.000% * 0.1022% (0.93 1.0 1.00 0.02 0.02) = 0.102% HB2 ASP- 73 - HB2 PHE 92 20.000% * 0.0655% (0.59 1.0 1.00 0.02 0.02) = 0.066% HB2 PHE 28 - HB2 PHE 92 20.000% * 0.0526% (0.48 1.0 1.00 0.02 0.02) = 0.053% HB2 TYR 31 - HB2 PHE 92 20.000% * 0.0241% (0.22 1.0 1.00 0.02 0.11) = 0.024% Peak 608 (5.86, 2.81, 42.80 ppm): 2 chemical-shift based assignments, quality = 0.867, support = 3.17, residual support = 23.1: * O T HA PHE 92 - HB3 PHE 92 50.000% * 96.9756% (0.88 10.0 10.00 3.24 23.74) = 96.976% kept HA MET 10 - HB3 PHE 92 50.000% * 3.0244% (0.48 1.0 1.00 1.15 1.98) = 3.024% kept Peak 609 (3.08, 2.81, 42.80 ppm): 3 chemical-shift based assignments, quality = 0.906, support = 3.18, residual support = 22.9: * O T HB2 PHE 92 - HB3 PHE 92 33.333% * 95.7377% (0.90 10.0 10.00 3.28 23.74) = 95.738% kept QB PHE 32 - HB3 PHE 92 33.333% * 4.2270% (0.95 1.0 1.00 0.84 3.52) = 4.227% kept HB2 PHE 9 - HB3 PHE 92 33.333% * 0.0354% (0.33 1.0 1.00 0.02 0.02) = 0.035% Peak 610 (2.81, 2.81, 42.80 ppm): 1 diagonal assignment: * HB3 PHE 92 - HB3 PHE 92 (0.90) kept Peak 611 (5.28, 5.29, 57.81 ppm): 1 diagonal assignment: * HA TYR 93 - HA TYR 93 (0.89) kept Peak 612 (2.90, 5.29, 57.81 ppm): 3 chemical-shift based assignments, quality = 0.915, support = 3.06, residual support = 18.0: * O T HB2 TYR 93 - HA TYR 93 33.333% * 99.9545% (0.91 10.0 10.00 3.06 18.01) = 99.954% kept HB2 ASN 75 - HA TYR 93 33.333% * 0.0241% (0.22 1.0 1.00 0.02 0.02) = 0.024% QB ASN 29 - HA TYR 93 33.333% * 0.0214% (0.20 1.0 1.00 0.02 0.70) = 0.021% Peak 613 (5.28, 2.91, 40.29 ppm): 5 chemical-shift based assignments, quality = 0.886, support = 3.05, residual support = 18.0: * O T HA TYR 93 - HB2 TYR 93 20.000% * 99.7026% (0.89 10.0 10.00 3.06 18.01) = 99.703% kept HA PHE 62 - HB2 TYR 93 20.000% * 0.1073% (0.96 1.0 1.00 0.02 0.02) = 0.107% HA VAL 52 - HB2 TYR 93 20.000% * 0.1052% (0.94 1.0 1.00 0.02 0.02) = 0.105% HA THR 39 - HB2 TYR 93 20.000% * 0.0629% (0.56 1.0 1.00 0.02 0.02) = 0.063% HA ARG+ 90 - HB2 TYR 93 20.000% * 0.0220% (0.20 1.0 1.00 0.02 0.02) = 0.022% Peak 614 (2.90, 2.91, 40.29 ppm): 1 diagonal assignment: * HB2 TYR 93 - HB2 TYR 93 (0.91) kept Peak 615 (5.03, 5.04, 60.30 ppm): 1 diagonal assignment: * HA VAL 94 - HA VAL 94 (0.89) kept Peak 616 (1.61, 5.04, 60.30 ppm): 6 chemical-shift based assignments, quality = 0.887, support = 2.85, residual support = 43.8: * O T HB VAL 94 - HA VAL 94 16.667% * 97.3699% (0.89 10.0 10.00 2.91 44.94) = 97.370% kept HB ILE 96 - HA VAL 94 16.667% * 2.3683% (0.91 1.0 1.00 0.47 2.10) = 2.368% kept QB LEU 26 - HA VAL 94 16.667% * 0.0907% (0.83 1.0 1.00 0.02 0.02) = 0.091% HG LEU 43 - HA VAL 94 16.667% * 0.0869% (0.79 1.0 1.00 0.02 32.51) = 0.087% QG LYS+ 80 - HA VAL 94 16.667% * 0.0571% (0.52 1.0 1.00 0.02 0.02) = 0.057% QG ARG+ 90 - HA VAL 94 16.667% * 0.0271% (0.25 1.0 1.00 0.02 0.02) = 0.027% Peak 617 (5.03, 1.62, 34.06 ppm): 3 chemical-shift based assignments, quality = 0.887, support = 2.91, residual support = 44.9: * O T HA VAL 94 - HB VAL 94 33.333% * 99.7925% (0.89 10.0 10.00 2.91 44.94) = 99.792% kept HA PHE 9 - HB VAL 94 33.333% * 0.1110% (0.99 1.0 1.00 0.02 0.02) = 0.111% HA LEU 63 - HB VAL 94 33.333% * 0.0965% (0.86 1.0 1.00 0.02 0.02) = 0.097% Peak 618 (1.61, 1.62, 34.06 ppm): 1 diagonal assignment: * HB VAL 94 - HB VAL 94 (0.89) kept Peak 619 (4.13, 4.14, 61.01 ppm): 1 diagonal assignment: * HA ILE 95 - HA ILE 95 (0.89) kept Peak 620 (1.76, 4.14, 61.01 ppm): 11 chemical-shift based assignments, quality = 0.871, support = 5.84, residual support = 173.0: * O T HB ILE 95 - HA ILE 95 9.091% * 96.2209% (0.89 10.0 10.00 6.04 179.78) = 96.221% kept HB ILE 14 - HA ILE 95 9.091% * 2.5824% (0.60 1.0 1.00 0.79 0.16) = 2.582% kept T HB3 PRO 25 - HA ILE 95 9.091% * 0.6074% (0.56 1.0 10.00 0.02 0.02) = 0.607% T HB2 ARG+ 48 - HA ILE 95 9.091% * 0.2123% (0.20 1.0 10.00 0.02 0.02) = 0.212% HB2 LYS+ 55 - HA ILE 95 9.091% * 0.1073% (0.99 1.0 1.00 0.02 0.27) = 0.107% HB VAL 61 - HA ILE 95 9.091% * 0.1063% (0.98 1.0 1.00 0.02 0.02) = 0.106% HB3 LYS+ 20 - HA ILE 95 9.091% * 0.0481% (0.44 1.0 1.00 0.02 0.02) = 0.048% HG3 ARG+ 53 - HA ILE 95 9.091% * 0.0441% (0.41 1.0 1.00 0.02 0.02) = 0.044% HD2 LYS+ 55 - HA ILE 95 9.091% * 0.0298% (0.28 1.0 1.00 0.02 0.27) = 0.030% HG LEU 82 - HA ILE 95 9.091% * 0.0268% (0.25 1.0 1.00 0.02 0.38) = 0.027% HG12 ILE 38 - HA ILE 95 9.091% * 0.0145% (0.13 1.0 1.00 0.02 0.02) = 0.015% Peak 621 (4.13, 1.77, 40.80 ppm): 6 chemical-shift based assignments, quality = 0.885, support = 6.02, residual support = 178.9: * O T HA ILE 95 - HB ILE 95 16.667% * 99.5303% (0.89 10.0 10.00 6.04 179.78) = 99.530% kept HB THR 39 - HB ILE 95 16.667% * 0.1107% (0.99 1.0 1.00 0.02 0.02) = 0.111% HA GLU- 16 - HB ILE 95 16.667% * 0.1050% (0.94 1.0 1.00 0.02 0.02) = 0.105% QB SER 19 - HB ILE 95 16.667% * 0.0889% (0.79 1.0 1.00 0.02 0.02) = 0.089% HA LEU 26 - HB ILE 95 16.667% * 0.0889% (0.79 1.0 1.00 0.02 0.02) = 0.089% HA GLU- 30 - HB ILE 95 16.667% * 0.0762% (0.68 1.0 1.00 0.02 0.02) = 0.076% Peak 622 (1.76, 1.77, 40.80 ppm): 1 diagonal assignment: * HB ILE 95 - HB ILE 95 (0.89) kept Peak 623 (4.67, 4.67, 60.58 ppm): 1 diagonal assignment: * HA ILE 96 - HA ILE 96 (0.91) kept Peak 624 (1.61, 4.67, 60.58 ppm): 6 chemical-shift based assignments, quality = 0.836, support = 4.29, residual support = 48.0: * O T HB ILE 96 - HA ILE 96 16.667% * 96.4756% (0.85 10.0 10.00 4.42 49.73) = 96.476% kept QG LYS+ 80 - HA ILE 96 16.667% * 3.2257% (0.54 1.0 1.00 1.06 2.16) = 3.226% kept HB VAL 94 - HA ILE 96 16.667% * 0.0933% (0.82 1.0 1.00 0.02 2.10) = 0.093% QB LEU 26 - HA ILE 96 16.667% * 0.0933% (0.82 1.0 1.00 0.02 0.02) = 0.093% HG LEU 43 - HA ILE 96 16.667% * 0.0822% (0.72 1.0 1.00 0.02 0.02) = 0.082% QG ARG+ 90 - HA ILE 96 16.667% * 0.0299% (0.26 1.0 1.00 0.02 0.02) = 0.030% Peak 625 (4.67, 1.62, 39.60 ppm): 4 chemical-shift based assignments, quality = 0.928, support = 4.09, residual support = 43.8: * O T HA ILE 96 - HB ILE 96 25.000% * 85.7063% (0.96 10.0 10.00 4.42 49.73) = 85.706% kept HA ASP- 3 - HB ILE 96 25.000% * 8.2028% (0.76 1.0 1.00 2.42 13.32) = 8.203% kept HA GLU- 77 - HB ILE 96 25.000% * 6.0733% (0.76 1.0 1.00 1.79 1.18) = 6.073% kept HA PRO 37 - HB ILE 96 25.000% * 0.0176% (0.20 1.0 1.00 0.02 0.02) = 0.018% Peak 626 (1.61, 1.62, 39.60 ppm): 1 diagonal assignment: * HB ILE 96 - HB ILE 96 (0.89) kept Peak 627 (4.89, 4.90, 57.23 ppm): 2 diagonal assignments: * HA TYR 97 - HA TYR 97 (0.91) kept HA ASP- 78 - HA ASP- 78 (0.09) kept Peak 628 (3.01, 4.90, 57.23 ppm): 14 chemical-shift based assignments, quality = 0.891, support = 2.56, residual support = 19.0: * O HB2 TYR 97 - HA TYR 97 7.143% * 99.5260% (0.89 10.0 2.57 19.12) = 99.526% kept QE LYS+ 20 - HA TYR 97 7.143% * 0.1043% (0.94 1.0 0.02 0.50) = 0.104% QE LYS+ 72 - HA TYR 97 7.143% * 0.0764% (0.69 1.0 0.02 0.02) = 0.076% QE LYS+ 11 - HA TYR 97 7.143% * 0.0723% (0.65 1.0 0.02 0.02) = 0.072% HB3 ASN 69 - HA TYR 97 7.143% * 0.0723% (0.65 1.0 0.02 0.14) = 0.072% HA ARG+ 88 - HA TYR 97 7.143% * 0.0359% (0.32 1.0 0.02 0.02) = 0.036% QE LYS+ 20 - HA ASP- 78 7.143% * 0.0211% (0.19 1.0 0.02 0.02) = 0.021% HB2 TYR 97 - HA ASP- 78 7.143% * 0.0202% (0.18 1.0 0.02 0.02) = 0.020% HE2 LYS+ 60 - HA TYR 97 7.143% * 0.0162% (0.15 1.0 0.02 0.02) = 0.016% QE LYS+ 72 - HA ASP- 78 7.143% * 0.0155% (0.14 1.0 0.02 0.02) = 0.015% QE LYS+ 11 - HA ASP- 78 7.143% * 0.0147% (0.13 1.0 0.02 0.02) = 0.015% HB3 ASN 69 - HA ASP- 78 7.143% * 0.0147% (0.13 1.0 0.02 0.02) = 0.015% HA ARG+ 88 - HA ASP- 78 7.143% * 0.0073% (0.07 1.0 0.02 0.02) = 0.007% HE2 LYS+ 60 - HA ASP- 78 7.143% * 0.0033% (0.03 1.0 0.02 0.02) = 0.003% Peak 629 (2.72, 4.90, 57.23 ppm): 8 chemical-shift based assignments, quality = 0.816, support = 2.28, residual support = 18.2: * O T HB3 TYR 97 - HA TYR 97 12.500% * 87.9417% (0.91 10.0 10.00 2.29 19.12) = 87.942% kept O T QB ASP- 78 - HA ASP- 78 12.500% * 11.2070% (0.12 10.0 10.00 2.40 12.61) = 11.207% kept T QB ASP- 78 - HA TYR 97 12.500% * 0.5527% (0.57 1.0 10.00 0.02 0.02) = 0.553% T HB3 TYR 97 - HA ASP- 78 12.500% * 0.1783% (0.19 1.0 10.00 0.02 0.02) = 0.178% HB2 ASN 100 - HA TYR 97 12.500% * 0.0626% (0.65 1.0 1.00 0.02 0.02) = 0.063% QB ASP- 3 - HA TYR 97 12.500% * 0.0375% (0.39 1.0 1.00 0.02 0.32) = 0.037% HB2 ASN 100 - HA ASP- 78 12.500% * 0.0127% (0.13 1.0 1.00 0.02 0.02) = 0.013% QB ASP- 3 - HA ASP- 78 12.500% * 0.0076% (0.08 1.0 1.00 0.02 0.02) = 0.008% Peak 630 (4.89, 3.02, 41.24 ppm): 3 chemical-shift based assignments, quality = 0.926, support = 2.56, residual support = 19.0: * O T HA TYR 97 - HB2 TYR 97 33.333% * 99.4779% (0.93 10.0 10.00 2.57 19.12) = 99.478% kept T HA ASP- 78 - HB2 TYR 97 33.333% * 0.5017% (0.47 1.0 10.00 0.02 0.02) = 0.502% HA ASP- 89 - HB2 TYR 97 33.333% * 0.0204% (0.19 1.0 1.00 0.02 0.12) = 0.020% Peak 631 (3.01, 3.02, 41.24 ppm): 1 diagonal assignment: * HB2 TYR 97 - HB2 TYR 97 (0.91) kept Peak 632 (2.72, 3.02, 41.24 ppm): 4 chemical-shift based assignments, quality = 0.918, support = 2.22, residual support = 18.4: * O T HB3 TYR 97 - HB2 TYR 97 25.000% * 96.2244% (0.93 10.0 10.00 2.30 19.12) = 96.224% kept T QB ASP- 78 - HB2 TYR 97 25.000% * 3.6661% (0.59 1.0 10.00 0.12 0.02) = 3.666% kept HB2 ASN 100 - HB2 TYR 97 25.000% * 0.0685% (0.66 1.0 1.00 0.02 0.02) = 0.068% QB ASP- 3 - HB2 TYR 97 25.000% * 0.0410% (0.40 1.0 1.00 0.02 0.32) = 0.041% Peak 633 (4.89, 2.73, 41.24 ppm): 6 chemical-shift based assignments, quality = 0.773, support = 2.29, residual support = 17.7: * O T HA TYR 97 - HB3 TYR 97 16.667% * 80.1150% (0.91 10.0 10.00 2.29 19.12) = 80.115% kept O T HA ASP- 78 - QB ASP- 78 16.667% * 19.0785% (0.22 10.0 10.00 2.40 12.61) = 19.078% kept T HA ASP- 78 - HB3 TYR 97 16.667% * 0.4041% (0.46 1.0 10.00 0.02 0.02) = 0.404% T HA TYR 97 - QB ASP- 78 16.667% * 0.3783% (0.43 1.0 10.00 0.02 0.02) = 0.378% HA ASP- 89 - HB3 TYR 97 16.667% * 0.0164% (0.19 1.0 1.00 0.02 0.12) = 0.016% HA ASP- 89 - QB ASP- 78 16.667% * 0.0078% (0.09 1.0 1.00 0.02 2.14) = 0.008% Peak 634 (3.01, 2.73, 41.24 ppm): 14 chemical-shift based assignments, quality = 0.885, support = 2.28, residual support = 18.9: * O HB2 TYR 97 - HB3 TYR 97 7.143% * 98.9287% (0.89 10.0 2.30 19.12) = 98.929% kept QE LYS+ 72 - HB3 TYR 97 7.143% * 0.5484% (0.69 1.0 0.14 0.02) = 0.548% QE LYS+ 20 - HB3 TYR 97 7.143% * 0.1037% (0.94 1.0 0.02 0.50) = 0.104% QE LYS+ 11 - HB3 TYR 97 7.143% * 0.0718% (0.65 1.0 0.02 0.02) = 0.072% HB3 ASN 69 - HB3 TYR 97 7.143% * 0.0718% (0.65 1.0 0.02 0.14) = 0.072% QE LYS+ 20 - QB ASP- 78 7.143% * 0.0489% (0.44 1.0 0.02 0.02) = 0.049% HB2 TYR 97 - QB ASP- 78 7.143% * 0.0467% (0.42 1.0 0.02 0.02) = 0.047% QE LYS+ 72 - QB ASP- 78 7.143% * 0.0359% (0.32 1.0 0.02 0.02) = 0.036% HA ARG+ 88 - HB3 TYR 97 7.143% * 0.0357% (0.32 1.0 0.02 0.02) = 0.036% QE LYS+ 11 - QB ASP- 78 7.143% * 0.0339% (0.31 1.0 0.02 0.02) = 0.034% HB3 ASN 69 - QB ASP- 78 7.143% * 0.0339% (0.31 1.0 0.02 0.02) = 0.034% HA ARG+ 88 - QB ASP- 78 7.143% * 0.0168% (0.15 1.0 0.02 0.02) = 0.017% HE2 LYS+ 60 - HB3 TYR 97 7.143% * 0.0161% (0.15 1.0 0.02 0.02) = 0.016% HE2 LYS+ 60 - QB ASP- 78 7.143% * 0.0076% (0.07 1.0 0.02 0.02) = 0.008% Peak 635 (2.72, 2.73, 41.24 ppm): 2 diagonal assignments: * HB3 TYR 97 - HB3 TYR 97 (0.91) kept QB ASP- 78 - QB ASP- 78 (0.27) kept Peak 636 (4.72, 3.16, 31.00 ppm): 5 chemical-shift based assignments, quality = 0.975, support = 0.995, residual support = 0.961: * O HA HIS 99 - QB HIS 99 20.000% * 99.5176% (0.98 10.0 1.00 0.97) = 99.518% kept HA ARG+ 53 - QB HIS 99 20.000% * 0.1594% (0.78 1.0 0.02 0.02) = 0.159% HA LYS+ 20 - QB HIS 99 20.000% * 0.1594% (0.78 1.0 0.02 0.02) = 0.159% HA ALA 34 - QB HIS 99 20.000% * 0.1288% (0.63 1.0 0.02 0.02) = 0.129% HA PRO 37 - QB HIS 99 20.000% * 0.0349% (0.17 1.0 0.02 0.02) = 0.035% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 637 (3.15, 3.16, 31.00 ppm): 1 diagonal assignment: * QB HIS 99 - QB HIS 99 (0.90) kept Peak 638 (4.48, 4.49, 53.49 ppm): 2 diagonal assignments: * HA ASN 100 - HA ASN 100 (0.91) kept HA ASN 74 - HA ASN 74 (0.86) kept Peak 639 (2.73, 4.49, 53.49 ppm): 8 chemical-shift based assignments, quality = 0.908, support = 1.23, residual support = 6.37: * O T HB2 ASN 100 - HA ASN 100 12.500% * 92.9390% (0.91 10.0 10.00 1.31 6.86) = 92.939% kept T HB2 ASN 100 - HA ASN 74 12.500% * 4.7302% (0.88 1.0 10.00 0.11 0.02) = 4.730% kept HB3 TYR 97 - HA ASN 74 12.500% * 2.0288% (0.90 1.0 1.00 0.44 0.02) = 2.029% kept HB3 TYR 97 - HA ASN 100 12.500% * 0.0948% (0.93 1.0 1.00 0.02 0.02) = 0.095% QB ASP- 78 - HA ASN 100 12.500% * 0.0881% (0.87 1.0 1.00 0.02 0.02) = 0.088% QB ASP- 78 - HA ASN 74 12.500% * 0.0852% (0.84 1.0 1.00 0.02 0.02) = 0.085% QB ASP- 3 - HA ASN 100 12.500% * 0.0172% (0.17 1.0 1.00 0.02 0.02) = 0.017% QB ASP- 3 - HA ASN 74 12.500% * 0.0166% (0.16 1.0 1.00 0.02 0.02) = 0.017% Peak 640 (2.60, 4.49, 53.49 ppm): 12 chemical-shift based assignments, quality = 0.855, support = 1.06, residual support = 5.69: * O T HB3 ASN 100 - HA ASN 100 8.333% * 68.4469% (0.91 10.0 10.00 1.31 6.86) = 68.447% kept T HG3 MET 10 - HA ASN 74 8.333% * 20.2288% (0.86 1.0 10.00 0.63 4.79) = 20.229% kept T HG2 MET 1 - HA ASN 74 8.333% * 9.3200% (0.60 1.0 10.00 0.41 0.30) = 9.320% kept T HG3 MET 10 - HA ASN 100 8.333% * 0.6679% (0.89 1.0 10.00 0.02 0.02) = 0.668% T HB3 ASN 100 - HA ASN 74 8.333% * 0.6616% (0.88 1.0 10.00 0.02 0.02) = 0.662% T HG2 MET 1 - HA ASN 100 8.333% * 0.4681% (0.62 1.0 10.00 0.02 0.02) = 0.468% HD3 PRO 35 - HA ASN 100 8.333% * 0.0709% (0.95 1.0 1.00 0.02 0.02) = 0.071% HD3 PRO 35 - HA ASN 74 8.333% * 0.0685% (0.91 1.0 1.00 0.02 0.02) = 0.069% HB3 PHE 13 - HA ASN 100 8.333% * 0.0180% (0.24 1.0 1.00 0.02 0.02) = 0.018% HB3 PHE 13 - HA ASN 74 8.333% * 0.0174% (0.23 1.0 1.00 0.02 0.02) = 0.017% HA VAL 71 - HA ASN 100 8.333% * 0.0161% (0.21 1.0 1.00 0.02 0.02) = 0.016% HA VAL 71 - HA ASN 74 8.333% * 0.0156% (0.21 1.0 1.00 0.02 0.49) = 0.016% Peak 641 (4.48, 2.74, 38.76 ppm): 8 chemical-shift based assignments, quality = 0.889, support = 1.26, residual support = 6.58: * O T HA ASN 100 - HB2 ASN 100 12.500% * 95.6493% (0.91 10.0 10.00 1.31 6.86) = 95.649% kept HA LYS+ 60 - HB2 ASN 100 12.500% * 2.2604% (0.70 1.0 1.00 0.62 1.01) = 2.260% kept T HA ASN 74 - HB2 ASN 100 12.500% * 0.9334% (0.89 1.0 10.00 0.02 0.02) = 0.933% HA VAL 61 - HB2 ASN 100 12.500% * 0.9087% (0.89 1.0 1.00 0.19 0.02) = 0.909% HA ASN 69 - HB2 ASN 100 12.500% * 0.0956% (0.91 1.0 1.00 0.02 0.02) = 0.096% HA TYR 31 - HB2 ASN 100 12.500% * 0.0654% (0.62 1.0 1.00 0.02 0.02) = 0.065% HA VAL 7 - HB2 ASN 100 12.500% * 0.0492% (0.47 1.0 1.00 0.02 0.02) = 0.049% HA MET 1 - HB2 ASN 100 12.500% * 0.0379% (0.36 1.0 1.00 0.02 0.02) = 0.038% Peak 642 (2.73, 2.74, 38.76 ppm): 1 diagonal assignment: * HB2 ASN 100 - HB2 ASN 100 (0.91) kept Peak 643 (2.60, 2.74, 38.76 ppm): 6 chemical-shift based assignments, quality = 0.91, support = 0.997, residual support = 6.83: * O T HB3 ASN 100 - HB2 ASN 100 16.667% * 99.6815% (0.91 10.0 10.00 1.00 6.86) = 99.682% kept HD3 PRO 35 - HB2 ASN 100 16.667% * 0.1033% (0.95 1.0 1.00 0.02 0.02) = 0.103% HG3 MET 10 - HB2 ASN 100 16.667% * 0.0973% (0.89 1.0 1.00 0.02 0.02) = 0.097% HG2 MET 1 - HB2 ASN 100 16.667% * 0.0682% (0.62 1.0 1.00 0.02 0.02) = 0.068% HB3 PHE 13 - HB2 ASN 100 16.667% * 0.0263% (0.24 1.0 1.00 0.02 0.02) = 0.026% HA VAL 71 - HB2 ASN 100 16.667% * 0.0235% (0.21 1.0 1.00 0.02 0.02) = 0.023% Peak 644 (4.48, 2.60, 38.76 ppm): 8 chemical-shift based assignments, quality = 0.849, support = 1.14, residual support = 5.58: * O T HA ASN 100 - HB3 ASN 100 12.500% * 78.6940% (0.91 10.0 10.00 1.31 6.86) = 78.694% kept T HA LYS+ 60 - HB3 ASN 100 12.500% * 18.5970% (0.70 1.0 10.00 0.62 1.01) = 18.597% kept T HA ASN 69 - HB3 ASN 100 12.500% * 0.7869% (0.91 1.0 10.00 0.02 0.02) = 0.787% T HA ASN 74 - HB3 ASN 100 12.500% * 0.7679% (0.89 1.0 10.00 0.02 0.02) = 0.768% HA VAL 61 - HB3 ASN 100 12.500% * 0.7476% (0.89 1.0 1.00 0.19 0.02) = 0.748% T HA MET 1 - HB3 ASN 100 12.500% * 0.3122% (0.36 1.0 10.00 0.02 0.02) = 0.312% HA TYR 31 - HB3 ASN 100 12.500% * 0.0538% (0.62 1.0 1.00 0.02 0.02) = 0.054% HA VAL 7 - HB3 ASN 100 12.500% * 0.0405% (0.47 1.0 1.00 0.02 0.02) = 0.040% Peak 645 (2.73, 2.60, 38.76 ppm): 4 chemical-shift based assignments, quality = 0.911, support = 0.998, residual support = 6.84: * O T HB2 ASN 100 - HB3 ASN 100 25.000% * 99.7851% (0.91 10.0 10.00 1.00 6.86) = 99.785% kept HB3 TYR 97 - HB3 ASN 100 25.000% * 0.1018% (0.93 1.0 1.00 0.02 0.02) = 0.102% QB ASP- 78 - HB3 ASN 100 25.000% * 0.0946% (0.87 1.0 1.00 0.02 0.02) = 0.095% QB ASP- 3 - HB3 ASN 100 25.000% * 0.0185% (0.17 1.0 1.00 0.02 0.02) = 0.018% Peak 646 (2.60, 2.60, 38.76 ppm): 1 diagonal assignment: * HB3 ASN 100 - HB3 ASN 100 (0.91) kept Peak 647 (3.81, 4.97, 57.00 ppm): 2 chemical-shift based assignments, quality = 0.788, support = 2.66, residual support = 12.7: * O T HB3 SER 21 - HA SER 21 50.000% * 94.0240% (0.82 10.0 10.00 2.81 13.50) = 94.024% kept T HB3 SER 21 - HA PHE 84 50.000% * 5.9760% (0.27 1.0 10.00 0.38 0.43) = 5.976% kept Peak 648 (3.89, 4.97, 57.00 ppm): 8 chemical-shift based assignments, quality = 0.772, support = 1.92, residual support = 12.0: * O T HB2 SER 21 - HA SER 21 12.500% * 88.1149% (0.82 10.0 10.00 2.11 13.50) = 88.115% kept T HB2 SER 21 - HA PHE 84 12.500% * 9.0467% (0.27 1.0 10.00 0.61 0.43) = 9.047% kept HA VAL 65 - HA SER 21 12.500% * 2.6160% (0.93 1.0 1.00 0.53 0.79) = 2.616% kept QD PRO 12 - HA SER 21 12.500% * 0.0961% (0.89 1.0 1.00 0.02 0.12) = 0.096% HA MET 101 - HA SER 21 12.500% * 0.0455% (0.42 1.0 1.00 0.02 0.02) = 0.046% HA VAL 65 - HA PHE 84 12.500% * 0.0333% (0.31 1.0 1.00 0.02 0.37) = 0.033% QD PRO 12 - HA PHE 84 12.500% * 0.0322% (0.30 1.0 1.00 0.02 0.02) = 0.032% HA MET 101 - HA PHE 84 12.500% * 0.0153% (0.14 1.0 1.00 0.02 0.02) = 0.015% Peak 649 (4.96, 3.82, 66.29 ppm): 2 chemical-shift based assignments, quality = 0.96, support = 2.43, residual support = 11.4: * O T HA SER 21 - HB3 SER 21 50.000% * 84.3141% (0.96 10.0 10.00 2.81 13.50) = 84.314% kept T HA PHE 84 - HB3 SER 21 50.000% * 15.6859% (0.94 1.0 10.00 0.38 0.43) = 15.686% kept Peak 650 (0.25, 0.81, 26.98 ppm): 2 chemical-shift based assignments, quality = 0.891, support = 5.51, residual support = 170.2: * O T QD1 LEU 22 - HG LEU 22 50.000% * 98.7421% (0.89 10.0 10.00 5.57 172.34) = 98.742% kept QG2 VAL 94 - HG LEU 22 50.000% * 1.2579% (0.89 1.0 1.00 0.25 1.81) = 1.258% kept Peak 652 (0.25, 0.26, 25.04 ppm): 1 diagonal assignment: * QD1 LEU 22 - QD1 LEU 22 (0.90) kept Peak 653 (0.57, 0.58, 23.09 ppm): 2 diagonal assignments: QD2 LEU 63 - QD2 LEU 63 (0.89) kept * QD2 LEU 22 - QD2 LEU 22 (0.89) kept Peak 654 (0.80, 0.58, 23.09 ppm): 10 chemical-shift based assignments, quality = 0.885, support = 3.7, residual support = 110.9: * O T HG LEU 22 - QD2 LEU 22 10.000% * 55.5268% (0.94 10.0 10.00 5.65 172.34) = 55.527% kept T HG LEU 22 - QD2 LEU 63 10.000% * 32.3089% (0.85 1.0 10.00 1.29 46.03) = 32.309% kept QG2 VAL 61 - QD2 LEU 63 10.000% * 4.7853% (0.88 1.0 1.00 1.84 2.42) = 4.785% kept QG2 VAL 61 - QD2 LEU 22 10.000% * 2.1135% (0.97 1.0 1.00 0.73 0.02) = 2.114% kept HG13 ILE 24 - QD2 LEU 63 10.000% * 1.7284% (0.40 1.0 1.00 1.45 9.34) = 1.728% kept HG13 ILE 24 - QD2 LEU 22 10.000% * 1.5041% (0.44 1.0 1.00 1.14 3.21) = 1.504% kept QG2 ILE 96 - QD2 LEU 22 10.000% * 1.4577% (0.98 1.0 1.00 0.50 1.73) = 1.458% kept HB2 LEU 76 - QD2 LEU 22 10.000% * 0.4715% (0.96 1.0 1.00 0.17 0.02) = 0.471% QG2 ILE 96 - QD2 LEU 63 10.000% * 0.0526% (0.89 1.0 1.00 0.02 0.02) = 0.053% HB2 LEU 76 - QD2 LEU 63 10.000% * 0.0513% (0.87 1.0 1.00 0.02 0.22) = 0.051% Peak 655 (0.25, 0.58, 23.09 ppm): 4 chemical-shift based assignments, quality = 0.867, support = 4.42, residual support = 111.5: * O T QD1 LEU 22 - QD2 LEU 22 25.000% * 52.0948% (0.91 10.0 10.00 6.19 172.34) = 52.095% kept T QD1 LEU 22 - QD2 LEU 63 25.000% * 47.1373% (0.83 1.0 10.00 2.54 46.03) = 47.137% kept QG2 VAL 94 - QD2 LEU 22 25.000% * 0.7208% (0.91 1.0 1.00 0.28 1.81) = 0.721% QG2 VAL 94 - QD2 LEU 63 25.000% * 0.0471% (0.83 1.0 1.00 0.02 0.02) = 0.047% Peak 656 (-0.48, 0.58, 23.09 ppm): 2 chemical-shift based assignments, quality = 0.874, support = 5.67, residual support = 112.3: * O T HB3 LEU 22 - QD2 LEU 22 50.000% * 52.4979% (0.91 10.0 10.00 6.30 172.34) = 52.498% kept T HB3 LEU 22 - QD2 LEU 63 50.000% * 47.5021% (0.83 1.0 10.00 4.98 46.03) = 47.502% kept Peak 657 (0.64, 0.58, 23.09 ppm): 10 chemical-shift based assignments, quality = 0.825, support = 3.84, residual support = 105.0: * O T HB2 LEU 22 - QD2 LEU 22 10.000% * 48.9419% (0.89 10.0 10.00 5.53 172.34) = 48.942% kept T HB2 LEU 22 - QD2 LEU 63 10.000% * 44.2845% (0.80 1.0 10.00 2.28 46.03) = 44.284% kept QG2 ILE 24 - QD2 LEU 22 10.000% * 3.1164% (0.48 1.0 1.00 2.35 3.21) = 3.116% kept QG2 ILE 24 - QD2 LEU 63 10.000% * 2.2111% (0.44 1.0 1.00 1.84 9.34) = 2.211% kept QD1 ILE 96 - QD2 LEU 63 10.000% * 1.3063% (0.72 1.0 1.00 0.66 0.02) = 1.306% kept QD1 ILE 96 - QD2 LEU 22 10.000% * 0.0437% (0.79 1.0 1.00 0.02 1.73) = 0.044% QD1 LEU 42 - QD2 LEU 22 10.000% * 0.0396% (0.72 1.0 1.00 0.02 4.50) = 0.040% QD1 LEU 42 - QD2 LEU 63 10.000% * 0.0359% (0.65 1.0 1.00 0.02 0.02) = 0.036% QD2 LEU 42 - QD2 LEU 22 10.000% * 0.0108% (0.20 1.0 1.00 0.02 4.50) = 0.011% QD2 LEU 42 - QD2 LEU 63 10.000% * 0.0098% (0.18 1.0 1.00 0.02 0.02) = 0.010% Peak 658 (0.57, 0.26, 25.04 ppm): 3 chemical-shift based assignments, quality = 0.917, support = 4.27, residual support = 104.7: T QD2 LEU 63 - QD1 LEU 22 33.333% * 51.8170% (0.97 1.0 10.00 2.54 46.03) = 51.817% kept * O T QD2 LEU 22 - QD1 LEU 22 33.333% * 46.8860% (0.88 10.0 10.00 6.19 172.34) = 46.886% kept QG2 ILE 95 - QD1 LEU 22 33.333% * 1.2970% (0.13 1.0 1.00 3.67 4.56) = 1.297% kept Peak 659 (0.80, 0.26, 25.04 ppm): 5 chemical-shift based assignments, quality = 0.925, support = 4.88, residual support = 141.2: * O T HG LEU 22 - QD1 LEU 22 20.000% * 81.7910% (0.93 10.0 10.00 5.57 172.34) = 81.791% kept QG2 ILE 96 - QD1 LEU 22 20.000% * 10.4130% (0.97 1.0 1.00 2.43 1.73) = 10.413% kept HB2 LEU 76 - QD1 LEU 22 20.000% * 4.1878% (0.95 1.0 1.00 1.00 0.02) = 4.188% kept QG2 VAL 61 - QD1 LEU 22 20.000% * 1.8602% (0.96 1.0 1.00 0.44 0.02) = 1.860% kept HG13 ILE 24 - QD1 LEU 22 20.000% * 1.7480% (0.44 1.0 1.00 0.90 3.21) = 1.748% kept Peak 660 (-0.48, 0.26, 25.04 ppm): 1 chemical-shift based assignment, quality = 0.905, support = 6.1, residual support = 172.3: * O T HB3 LEU 22 - QD1 LEU 22 100.000% *100.0000% (0.90 10.0 10.00 6.10 172.34) = 100.000% kept Peak 661 (0.57, -0.47, 43.84 ppm): 3 chemical-shift based assignments, quality = 0.928, support = 5.61, residual support = 106.0: T QD2 LEU 63 - HB3 LEU 22 33.333% * 52.4942% (0.97 1.0 10.00 4.98 46.03) = 52.494% kept * O T QD2 LEU 22 - HB3 LEU 22 33.333% * 47.4987% (0.88 10.0 10.00 6.30 172.34) = 47.499% kept QG2 ILE 95 - HB3 LEU 22 33.333% * 0.0072% (0.13 1.0 1.00 0.02 4.56) = 0.007% Peak 662 (0.25, -0.47, 43.84 ppm): 2 chemical-shift based assignments, quality = 0.905, support = 6.02, residual support = 169.8: * O T QD1 LEU 22 - HB3 LEU 22 50.000% * 98.5128% (0.90 10.0 10.00 6.10 172.34) = 98.513% kept QG2 VAL 94 - HB3 LEU 22 50.000% * 1.4872% (0.90 1.0 1.00 0.30 1.81) = 1.487% kept Peak 663 (0.80, -0.47, 43.84 ppm): 5 chemical-shift based assignments, quality = 0.925, support = 5.44, residual support = 163.9: * O T HG LEU 22 - HB3 LEU 22 20.000% * 95.0899% (0.93 10.0 10.00 5.70 172.34) = 95.090% kept QG2 VAL 61 - HB3 LEU 22 20.000% * 2.2417% (0.96 1.0 1.00 0.46 0.02) = 2.242% kept QG2 ILE 96 - HB3 LEU 22 20.000% * 2.2100% (0.97 1.0 1.00 0.44 1.73) = 2.210% kept HB2 LEU 76 - HB3 LEU 22 20.000% * 0.4133% (0.95 1.0 1.00 0.09 0.02) = 0.413% HG13 ILE 24 - HB3 LEU 22 20.000% * 0.0451% (0.44 1.0 1.00 0.02 3.21) = 0.045% Peak 664 (0.57, 0.65, 43.84 ppm): 3 chemical-shift based assignments, quality = 0.938, support = 3.82, residual support = 106.0: T QD2 LEU 63 - HB2 LEU 22 33.333% * 52.4942% (0.98 1.0 10.00 2.28 46.03) = 52.494% kept * O T QD2 LEU 22 - HB2 LEU 22 33.333% * 47.4987% (0.89 10.0 10.00 5.53 172.34) = 47.499% kept QG2 ILE 95 - HB2 LEU 22 33.333% * 0.0072% (0.13 1.0 1.00 0.02 4.56) = 0.007% Peak 665 (0.25, 0.65, 43.84 ppm): 2 chemical-shift based assignments, quality = 0.915, support = 4.29, residual support = 134.2: * O QD1 LEU 22 - HB2 LEU 22 50.000% * 77.6284% (0.91 10.0 1.00 5.36 172.34) = 77.628% kept T QG2 VAL 94 - HB2 LEU 22 50.000% * 22.3716% (0.91 1.0 10.00 0.58 1.81) = 22.372% kept Peak 666 (0.80, 0.65, 43.84 ppm): 5 chemical-shift based assignments, quality = 0.941, support = 4.36, residual support = 155.5: * O HG LEU 22 - HB2 LEU 22 20.000% * 90.1215% (0.94 10.0 1.00 4.81 172.34) = 90.122% kept T QG2 ILE 96 - HB2 LEU 22 20.000% * 8.6383% (0.98 1.0 10.00 0.18 1.73) = 8.638% kept QG2 VAL 61 - HB2 LEU 22 20.000% * 1.1055% (0.97 1.0 1.00 0.24 0.02) = 1.106% kept HB2 LEU 76 - HB2 LEU 22 20.000% * 0.0919% (0.96 1.0 1.00 0.02 0.02) = 0.092% HG13 ILE 24 - HB2 LEU 22 20.000% * 0.0427% (0.44 1.0 1.00 0.02 3.21) = 0.043% Peak 667 (0.57, 4.53, 52.45 ppm): 3 chemical-shift based assignments, quality = 0.897, support = 4.56, residual support = 128.3: * T QD2 LEU 22 - HA LEU 22 33.333% * 65.1326% (0.87 10.00 6.48 172.34) = 65.133% kept T QD2 LEU 63 - HA LEU 22 33.333% * 34.8576% (0.96 10.00 0.97 46.03) = 34.858% kept QG2 ILE 95 - HA LEU 22 33.333% * 0.0098% (0.13 1.00 0.02 4.56) = 0.010% Peak 668 (0.25, 4.53, 52.45 ppm): 2 chemical-shift based assignments, quality = 0.891, support = 6.22, residual support = 170.2: * T QD1 LEU 22 - HA LEU 22 50.000% * 98.7716% (0.89 10.00 6.29 172.34) = 98.772% kept QG2 VAL 94 - HA LEU 22 50.000% * 1.2284% (0.89 1.00 0.25 1.81) = 1.228% kept Peak 669 (0.80, 4.53, 52.45 ppm): 5 chemical-shift based assignments, quality = 0.91, support = 5.54, residual support = 164.8: * O T HG LEU 22 - HA LEU 22 20.000% * 95.6308% (0.91 10.0 10.00 5.78 172.34) = 95.631% kept QG2 VAL 61 - HA LEU 22 20.000% * 1.9968% (0.95 1.0 1.00 0.40 0.02) = 1.997% kept QG2 ILE 96 - HA LEU 22 20.000% * 1.9114% (0.96 1.0 1.00 0.38 1.73) = 1.911% kept HB2 LEU 76 - HA LEU 22 20.000% * 0.4157% (0.93 1.0 1.00 0.09 0.02) = 0.416% HG13 ILE 24 - HA LEU 22 20.000% * 0.0453% (0.43 1.0 1.00 0.02 3.21) = 0.045% Peak 670 (0.57, 0.81, 26.98 ppm): 3 chemical-shift based assignments, quality = 0.903, support = 3.84, residual support = 119.9: * O T QD2 LEU 22 - HG LEU 22 33.333% * 58.4509% (0.87 10.0 10.00 5.65 172.34) = 58.451% kept T QD2 LEU 63 - HG LEU 22 33.333% * 41.5403% (0.96 1.0 10.00 1.29 46.03) = 41.540% kept QG2 ILE 95 - HG LEU 22 33.333% * 0.0088% (0.13 1.0 1.00 0.02 4.56) = 0.009% Peak 671 (0.80, 0.81, 26.98 ppm): 1 diagonal assignment: * HG LEU 22 - HG LEU 22 (0.91) kept Peak 672 (4.52, 0.58, 23.09 ppm): 8 chemical-shift based assignments, quality = 0.901, support = 4.58, residual support = 127.0: * T HA LEU 22 - QD2 LEU 22 12.500% * 65.9428% (0.94 10.00 6.48 172.34) = 65.943% kept T HA LEU 22 - QD2 LEU 63 12.500% * 28.8940% (0.85 10.00 0.97 46.03) = 28.894% kept HB2 SER 18 - QD2 LEU 22 12.500% * 2.3634% (0.96 1.00 0.70 0.24) = 2.363% kept HB2 SER 18 - QD2 LEU 63 12.500% * 1.7469% (0.87 1.00 0.57 0.02) = 1.747% kept HA MET 1 - QD2 LEU 63 12.500% * 0.9897% (0.34 1.00 0.84 0.02) = 0.990% HA MET 1 - QD2 LEU 22 12.500% * 0.0262% (0.37 1.00 0.02 0.02) = 0.026% HA VAL 7 - QD2 LEU 22 12.500% * 0.0194% (0.28 1.00 0.02 0.02) = 0.019% HA VAL 7 - QD2 LEU 63 12.500% * 0.0175% (0.25 1.00 0.02 0.61) = 0.018% Peak 673 (4.52, 0.26, 25.04 ppm): 4 chemical-shift based assignments, quality = 0.927, support = 6.16, residual support = 168.3: * T HA LEU 22 - QD1 LEU 22 25.000% * 97.6659% (0.93 10.00 6.29 172.34) = 97.666% kept HB2 SER 18 - QD1 LEU 22 25.000% * 2.2666% (0.95 1.00 0.45 0.24) = 2.267% kept HA MET 1 - QD1 LEU 22 25.000% * 0.0387% (0.37 1.00 0.02 0.02) = 0.039% HA VAL 7 - QD1 LEU 22 25.000% * 0.0287% (0.27 1.00 0.02 0.02) = 0.029% Peak 674 (3.51, 1.21, 35.39 ppm): 5 chemical-shift based assignments, quality = 0.866, support = 4.36, residual support = 59.3: * O T HA GLU- 23 - HG3 GLU- 23 20.000% * 96.1157% (0.88 10.0 10.00 4.50 61.70) = 96.116% kept QB SER 49 - HG3 GLU- 23 20.000% * 2.0979% (0.44 1.0 1.00 0.87 1.90) = 2.098% kept HB3 SER 15 - HG3 GLU- 23 20.000% * 1.6643% (0.71 1.0 1.00 0.43 0.02) = 1.664% kept HA LEU 76 - HG3 GLU- 23 20.000% * 0.0819% (0.75 1.0 1.00 0.02 0.96) = 0.082% HD3 PRO 37 - HG3 GLU- 23 20.000% * 0.0402% (0.37 1.0 1.00 0.02 0.43) = 0.040% Peak 675 (3.51, 1.53, 35.39 ppm): 5 chemical-shift based assignments, quality = 0.862, support = 4.06, residual support = 60.6: * O T HA GLU- 23 - HG2 GLU- 23 20.000% * 98.1848% (0.87 10.0 10.00 4.12 61.70) = 98.185% kept HA LEU 76 - HG2 GLU- 23 20.000% * 1.6455% (0.74 1.0 1.00 0.39 0.96) = 1.646% kept HB3 SER 15 - HG2 GLU- 23 20.000% * 0.0795% (0.70 1.0 1.00 0.02 0.02) = 0.079% QB SER 49 - HG2 GLU- 23 20.000% * 0.0491% (0.43 1.0 1.00 0.02 1.90) = 0.049% HD3 PRO 37 - HG2 GLU- 23 20.000% * 0.0411% (0.36 1.0 1.00 0.02 0.43) = 0.041% Peak 676 (1.52, 3.52, 55.45 ppm): 2 chemical-shift based assignments, quality = 0.925, support = 4.0, residual support = 59.1: * O T HG2 GLU- 23 - HA GLU- 23 50.000% * 95.7137% (0.94 10.0 10.00 4.12 61.70) = 95.714% kept HG3 PRO 25 - HA GLU- 23 50.000% * 4.2863% (0.64 1.0 1.00 1.31 0.02) = 4.286% kept Peak 677 (1.20, 3.52, 55.45 ppm): 7 chemical-shift based assignments, quality = 0.906, support = 4.23, residual support = 57.5: * O T HG3 GLU- 23 - HA GLU- 23 14.286% * 93.1254% (0.91 10.0 10.00 4.50 61.70) = 93.125% kept QE MET 54 - HA GLU- 23 14.286% * 3.5036% (0.99 1.0 1.00 0.70 0.02) = 3.504% kept QG2 THR 39 - HA GLU- 23 14.286% * 1.1754% (0.83 1.0 1.00 0.28 0.02) = 1.175% kept QG2 THR 4 - HA GLU- 23 14.286% * 1.1593% (0.79 1.0 1.00 0.29 0.02) = 1.159% kept HB3 LEU 42 - HA GLU- 23 14.286% * 0.5632% (0.52 1.0 1.00 0.21 0.02) = 0.563% QG1 VAL 65 - HA GLU- 23 14.286% * 0.4352% (0.34 1.0 1.00 0.25 0.02) = 0.435% HD3 LYS+ 56 - HA GLU- 23 14.286% * 0.0379% (0.37 1.0 1.00 0.02 0.02) = 0.038% Peak 678 (4.16, 1.69, 28.27 ppm): 14 chemical-shift based assignments, quality = 0.755, support = 4.88, residual support = 74.5: * O HA PRO 25 - HG2 PRO 25 7.143% * 68.8728% (0.91 10.0 1.00 5.51 98.73) = 68.873% kept T HA LEU 26 - HG2 PRO 25 7.143% * 30.6727% (0.41 1.0 10.00 3.54 21.19) = 30.673% kept T HA LEU 26 - QD LYS+ 60 7.143% * 0.1752% (0.23 1.0 10.00 0.02 1.92) = 0.175% HA SER 19 - HG2 PRO 25 7.143% * 0.0689% (0.91 1.0 1.00 0.02 0.76) = 0.069% HA PRO 25 - QD LYS+ 60 7.143% * 0.0393% (0.52 1.0 1.00 0.02 0.02) = 0.039% HA SER 19 - QD LYS+ 60 7.143% * 0.0393% (0.52 1.0 1.00 0.02 0.02) = 0.039% QB SER 19 - HG2 PRO 25 7.143% * 0.0307% (0.41 1.0 1.00 0.02 0.76) = 0.031% HA ILE 95 - HG2 PRO 25 7.143% * 0.0230% (0.31 1.0 1.00 0.02 0.02) = 0.023% HA GLU- 16 - HG2 PRO 25 7.143% * 0.0186% (0.25 1.0 1.00 0.02 0.92) = 0.019% QB SER 19 - QD LYS+ 60 7.143% * 0.0175% (0.23 1.0 1.00 0.02 0.02) = 0.018% HA ILE 95 - QD LYS+ 60 7.143% * 0.0132% (0.17 1.0 1.00 0.02 0.02) = 0.013% HB THR 39 - HG2 PRO 25 7.143% * 0.0115% (0.15 1.0 1.00 0.02 0.02) = 0.012% HA GLU- 16 - QD LYS+ 60 7.143% * 0.0106% (0.14 1.0 1.00 0.02 0.14) = 0.011% HB THR 39 - QD LYS+ 60 7.143% * 0.0066% (0.09 1.0 1.00 0.02 0.99) = 0.007% Peak 679 (4.16, 1.51, 28.27 ppm): 14 chemical-shift based assignments, quality = 0.846, support = 6.18, residual support = 95.0: * O T HA PRO 25 - HG3 PRO 25 7.143% * 88.7582% (0.92 10.0 10.00 6.48 98.73) = 88.758% kept HA LEU 26 - HG3 PRO 25 7.143% * 6.7158% (0.41 1.0 1.00 3.40 21.19) = 6.716% kept O HA ILE 95 - HG12 ILE 95 7.143% * 3.3187% (0.03 10.0 1.00 5.91 179.78) = 3.319% kept T HA SER 19 - HG3 PRO 25 7.143% * 0.8876% (0.92 1.0 10.00 0.02 0.76) = 0.888% T HA PRO 25 - HG12 ILE 95 7.143% * 0.0993% (0.10 1.0 10.00 0.02 0.02) = 0.099% T HA SER 19 - HG12 ILE 95 7.143% * 0.0993% (0.10 1.0 10.00 0.02 0.02) = 0.099% QB SER 19 - HG3 PRO 25 7.143% * 0.0395% (0.41 1.0 1.00 0.02 0.76) = 0.040% HA ILE 95 - HG3 PRO 25 7.143% * 0.0297% (0.31 1.0 1.00 0.02 0.02) = 0.030% HA GLU- 16 - HG3 PRO 25 7.143% * 0.0240% (0.25 1.0 1.00 0.02 0.92) = 0.024% HB THR 39 - HG3 PRO 25 7.143% * 0.0148% (0.15 1.0 1.00 0.02 0.02) = 0.015% QB SER 19 - HG12 ILE 95 7.143% * 0.0044% (0.05 1.0 1.00 0.02 0.02) = 0.004% HA LEU 26 - HG12 ILE 95 7.143% * 0.0044% (0.05 1.0 1.00 0.02 0.02) = 0.004% HA GLU- 16 - HG12 ILE 95 7.143% * 0.0027% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB THR 39 - HG12 ILE 95 7.143% * 0.0017% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 680 (2.65, 2.66, 50.28 ppm): 1 diagonal assignment: * HD2 PRO 25 - HD2 PRO 25 (0.87) kept Peak 681 (1.82, 1.83, 50.28 ppm): 1 diagonal assignment: * HD3 PRO 25 - HD3 PRO 25 (0.87) kept Peak 686 (1.50, 1.51, 28.27 ppm): 2 diagonal assignments: * HG3 PRO 25 - HG3 PRO 25 (0.87) kept HG12 ILE 95 - HG12 ILE 95 (0.09) kept Peak 687 (1.68, 1.69, 28.27 ppm): 2 diagonal assignments: * HG2 PRO 25 - HG2 PRO 25 (0.91) kept QD LYS+ 60 - QD LYS+ 60 (0.16) kept Peak 690 (0.91, 4.14, 57.85 ppm): 6 chemical-shift based assignments, quality = 0.665, support = 3.06, residual support = 32.4: T QD1 LEU 26 - HA LEU 26 16.667% * 64.5781% (0.79 10.00 3.47 41.47) = 64.578% kept QD2 LEU 26 - HA LEU 26 16.667% * 13.5505% (0.72 1.00 4.63 41.47) = 13.551% kept T QD1 ILE 85 - HA LEU 26 16.667% * 11.3723% (0.34 10.00 0.83 0.27) = 11.372% kept T QD1 LEU 26 - HA GLU- 30 16.667% * 7.4241% (0.19 10.00 0.97 0.16) = 7.424% kept T QD1 ILE 85 - HA GLU- 30 16.667% * 3.0612% (0.08 10.00 0.94 0.02) = 3.061% kept QD2 LEU 26 - HA GLU- 30 16.667% * 0.0138% (0.17 1.00 0.02 0.16) = 0.014% Peak 692 (0.90, 0.91, 23.74 ppm): 1 diagonal assignment: * QD2 LEU 26 - QD2 LEU 26 (0.91) kept Peak 693 (0.91, 0.92, 25.04 ppm): 1 diagonal assignment: * QD1 LEU 26 - QD1 LEU 26 (0.87) kept Peak 694 (1.70, 1.71, 27.30 ppm): 1 diagonal assignment: * HG LEU 26 - HG LEU 26 (0.89) kept Peak 696 (2.82, 2.83, 41.29 ppm): 2 diagonal assignments: * HB2 PHE 28 - HB2 PHE 28 (0.91) kept HB2 TYR 81 - HB2 TYR 81 (0.04) kept Peak 700 (4.30, 2.77, 41.29 ppm): 9 chemical-shift based assignments, quality = 0.915, support = 1.88, residual support = 21.0: * O HA PHE 28 - HB3 PHE 28 11.111% * 95.2307% (0.92 10.0 1.00 1.93 22.10) = 95.231% kept HA PRO 12 - HB3 PHE 28 11.111% * 4.3622% (0.87 1.0 1.00 0.94 0.12) = 4.362% kept T HA PHE 28 - HB2 ASP- 73 11.111% * 0.2290% (0.21 1.0 10.00 0.02 0.02) = 0.229% HA ALA 2 - HB2 ASP- 73 11.111% * 0.0588% (0.11 1.0 1.00 0.10 0.02) = 0.059% HA ALA 2 - HB3 PHE 28 11.111% * 0.0520% (0.49 1.0 1.00 0.02 0.02) = 0.052% T HA PHE 28 - HB2 TYR 81 11.111% * 0.0399% (0.04 1.0 10.00 0.02 0.20) = 0.040% HA PRO 12 - HB2 ASP- 73 11.111% * 0.0215% (0.20 1.0 1.00 0.02 0.02) = 0.022% HA PRO 12 - HB2 TYR 81 11.111% * 0.0037% (0.04 1.0 1.00 0.02 0.02) = 0.004% HA ALA 2 - HB2 TYR 81 11.111% * 0.0021% (0.02 1.0 1.00 0.02 1.25) = 0.002% Peak 701 (2.76, 2.77, 41.29 ppm): 2 diagonal assignments: * HB3 PHE 28 - HB3 PHE 28 (0.87) kept HB2 ASP- 73 - HB2 ASP- 73 (0.04) kept Peak 710 (1.70, 1.71, 29.47 ppm): 2 diagonal assignments: * QB GLU- 30 - QB GLU- 30 (0.91) kept HD3 LYS+ 55 - HD3 LYS+ 55 (0.25) kept Peak 716 (4.73, 4.74, 48.99 ppm): 1 diagonal assignment: * HA ALA 34 - HA ALA 34 (0.91) kept Peak 719 (1.34, 1.35, 62.26 ppm): 1 diagonal assignment: * QB ALA 34 - QB ALA 34 (0.87) kept Peak 721 (4.69, 4.70, 62.91 ppm): 1 diagonal assignment: * HA PRO 37 - HA PRO 37 (0.91) kept Peak 722 (3.62, 3.63, 50.28 ppm): 1 diagonal assignment: * HD2 PRO 37 - HD2 PRO 37 (0.87) kept Peak 723 (3.52, 3.53, 50.28 ppm): 1 diagonal assignment: * HD3 PRO 37 - HD3 PRO 37 (0.87) kept Peak 725 (2.10, 2.10, 34.42 ppm): 1 diagonal assignment: * HB3 PRO 37 - HB3 PRO 37 (0.89) kept Peak 726 (1.93, 1.94, 25.36 ppm): 1 diagonal assignment: * QG PRO 37 - QG PRO 37 (0.87) kept Peak 727 (2.10, 1.94, 25.36 ppm): 7 chemical-shift based assignments, quality = 0.892, support = 4.6, residual support = 86.2: * O T HB3 PRO 37 - QG PRO 37 14.286% * 97.3752% (0.89 10.0 10.00 4.72 88.53) = 97.375% kept QB ARG+ 88 - QG PRO 37 14.286% * 1.3533% (0.80 1.0 1.00 0.31 0.02) = 1.353% kept T HB2 GLU- 16 - QG PRO 37 14.286% * 1.0271% (0.94 1.0 10.00 0.02 0.02) = 1.027% kept HG2 MET 54 - QG PRO 37 14.286% * 0.1083% (1.00 1.0 1.00 0.02 0.02) = 0.108% HB2 LYS+ 11 - QG PRO 37 14.286% * 0.0659% (0.61 1.0 1.00 0.02 0.02) = 0.066% HB2 MET 1 - QG PRO 37 14.286% * 0.0487% (0.45 1.0 1.00 0.02 0.02) = 0.049% HG3 GLN 83 - QG PRO 37 14.286% * 0.0215% (0.20 1.0 1.00 0.02 0.02) = 0.021% Peak 729 (2.43, 2.44, 34.42 ppm): 1 diagonal assignment: * HB2 PRO 37 - HB2 PRO 37 (0.87) kept Peak 732 (3.67, 3.68, 51.20 ppm): 1 diagonal assignment: * HD3 PRO 33 - HD3 PRO 33 (0.87) kept Peak 733 (4.23, 4.23, 51.20 ppm): 1 diagonal assignment: * HD2 PRO 33 - HD2 PRO 33 (0.87) kept Peak 734 (3.74, 3.75, 50.28 ppm): 1 diagonal assignment: * HD2 PRO 35 - HD2 PRO 35 (0.87) kept Peak 735 (2.58, 2.59, 50.28 ppm): 1 diagonal assignment: * HD3 PRO 35 - HD3 PRO 35 (0.87) kept Peak 741 (1.85, 1.85, 27.62 ppm): 1 diagonal assignment: * HG3 PRO 33 - HG3 PRO 33 (1.00) kept Peak 742 (2.03, 2.03, 27.62 ppm): 2 diagonal assignments: * HG2 PRO 33 - HG2 PRO 33 (0.89) kept QG PRO 12 - QG PRO 12 (0.07) kept Peak 743 (4.34, 4.35, 62.91 ppm): 1 diagonal assignment: * HA ILE 38 - HA ILE 38 (0.87) kept Peak 745 (1.19, 1.20, 63.55 ppm): 2 diagonal assignments: * QG2 THR 39 - QG2 THR 39 (0.87) kept QG2 THR 4 - QG2 THR 4 (0.24) kept Peak 746 (1.72, 1.73, 27.95 ppm): 2 diagonal assignments: * HG12 ILE 38 - HG12 ILE 38 (0.87) kept QD LYS+ 60 - QD LYS+ 60 (0.02) kept Peak 747 (1.42, 1.43, 27.95 ppm): 1 diagonal assignment: * HG13 ILE 38 - HG13 ILE 38 (0.87) kept Peak 749 (1.12, 1.13, 59.67 ppm): 1 diagonal assignment: * QG2 ILE 38 - QG2 ILE 38 (0.87) kept Peak 751 (0.99, 1.00, 54.49 ppm): 1 diagonal assignment: * QD1 ILE 38 - QD1 ILE 38 (0.87) kept Peak 753 (0.99, 0.99, 22.77 ppm): 1 diagonal assignment: * QG1 VAL 40 - QG1 VAL 40 (0.87) kept Peak 755 (2.28, 0.99, 22.77 ppm): 4 chemical-shift based assignments, quality = 0.929, support = 3.17, residual support = 40.7: * O T HB VAL 40 - QG1 VAL 40 25.000% * 86.9551% (0.94 10.0 10.00 3.60 46.74) = 86.955% kept T HG2 GLN 83 - QG1 VAL 40 25.000% * 12.0587% (0.89 1.0 10.00 0.29 0.20) = 12.059% kept T QG GLU- 16 - QG1 VAL 40 25.000% * 0.7025% (0.76 1.0 10.00 0.02 2.72) = 0.702% T HB3 GLN 8 - QG1 VAL 40 25.000% * 0.2837% (0.31 1.0 10.00 0.02 0.02) = 0.284% Peak 756 (0.85, 0.85, 59.99 ppm): 1 diagonal assignment: * QG2 VAL 40 - QG2 VAL 40 (0.87) kept Peak 759 (5.75, 2.54, 43.11 ppm): 2 chemical-shift based assignments, quality = 0.906, support = 3.26, residual support = 29.7: * O T HA ASP- 41 - HB3 ASP- 41 50.000% * 98.7969% (0.91 10.0 10.00 3.30 30.09) = 98.797% kept T HA ASP- 41 - QB PHE 62 50.000% * 1.2031% (0.16 1.0 10.00 0.14 0.02) = 1.203% kept Peak 760 (2.53, 2.54, 43.11 ppm): 2 diagonal assignments: * HB3 ASP- 41 - HB3 ASP- 41 (0.89) kept QB PHE 62 - QB PHE 62 (0.14) kept Peak 762 (2.53, 5.76, 53.30 ppm): 6 chemical-shift based assignments, quality = 0.874, support = 3.1, residual support = 28.2: * O T HB3 ASP- 41 - HA ASP- 41 16.667% * 93.6107% (0.88 10.0 10.00 3.30 30.09) = 93.611% kept T QB PHE 62 - HA ASP- 41 16.667% * 6.1856% (0.82 1.0 10.00 0.14 0.02) = 6.186% kept HB3 ASN 75 - HA ASP- 41 16.667% * 0.1007% (0.95 1.0 1.00 0.02 0.02) = 0.101% HB2 ARG+ 90 - HA ASP- 41 16.667% * 0.0591% (0.55 1.0 1.00 0.02 0.02) = 0.059% HB3 TYR 81 - HA ASP- 41 16.667% * 0.0232% (0.22 1.0 1.00 0.02 0.02) = 0.023% HG3 MET 1 - HA ASP- 41 16.667% * 0.0207% (0.19 1.0 1.00 0.02 0.02) = 0.021% Peak 763 (2.19, 2.20, 42.50 ppm): 1 diagonal assignment: * HB2 LEU 42 - HB2 LEU 42 (0.89) kept Peak 767 (1.80, 1.81, 28.27 ppm): 3 diagonal assignments: * HG LEU 42 - HG LEU 42 (0.87) kept HG2 ARG+ 53 - HG2 ARG+ 53 (0.84) kept HG LEU 82 - HG LEU 82 (0.04) kept Peak 768 (0.62, 0.63, 26.33 ppm): 1 diagonal assignment: * QD1 LEU 42 - QD1 LEU 42 (0.87) kept Peak 769 (0.66, 0.66, 25.04 ppm): 1 diagonal assignment: * QD2 LEU 42 - QD2 LEU 42 (0.84) kept Peak 773 (1.61, 1.62, 28.59 ppm): 1 diagonal assignment: * HG LEU 43 - HG LEU 43 (0.87) kept Peak 774 (0.74, 0.75, 25.68 ppm): 1 diagonal assignment: * QD1 LEU 43 - QD1 LEU 43 (0.87) kept Peak 775 (0.85, 0.86, 25.04 ppm): 1 diagonal assignment: * QD2 LEU 43 - QD2 LEU 43 (0.84) kept Peak 778 (1.48, 4.07, 56.87 ppm): 6 chemical-shift based assignments, quality = 0.885, support = 6.64, residual support = 209.8: * O T HG2 ARG+ 48 - HA ARG+ 48 16.667% * 98.0574% (0.89 10.0 10.00 6.76 213.94) = 98.057% kept HB3 GLU- 23 - HA ARG+ 48 16.667% * 1.6497% (0.83 1.0 1.00 0.36 0.02) = 1.650% kept HB3 PHE 84 - HA ARG+ 48 16.667% * 0.1072% (0.97 1.0 1.00 0.02 0.02) = 0.107% HG12 ILE 95 - HA ARG+ 48 16.667% * 0.0663% (0.60 1.0 1.00 0.02 0.02) = 0.066% HG3 LYS+ 72 - HA ARG+ 48 16.667% * 0.0619% (0.56 1.0 1.00 0.02 0.10) = 0.062% HG3 LYS+ 17 - HA ARG+ 48 16.667% * 0.0575% (0.52 1.0 1.00 0.02 0.73) = 0.058% Peak 781 (1.48, 1.49, 27.30 ppm): 1 diagonal assignment: * HG2 ARG+ 48 - HG2 ARG+ 48 (0.89) kept Peak 783 (1.15, 1.16, 27.30 ppm): 1 diagonal assignment: * HG3 ARG+ 48 - HG3 ARG+ 48 (0.87) kept Peak 785 (3.14, 3.15, 43.81 ppm): 2 diagonal assignments: * HD2 ARG+ 48 - HD2 ARG+ 48 (0.87) kept HB3 TYR 86 - HB3 TYR 86 (0.68) kept Peak 786 (2.96, 2.97, 43.81 ppm): 2 diagonal assignments: * HD3 ARG+ 48 - HD3 ARG+ 48 (0.87) kept HD3 ARG+ 88 - HD3 ARG+ 88 (0.22) kept Peak 789 (3.32, 3.33, 33.10 ppm): 1 diagonal assignment: * HB3 TRP 50 - HB3 TRP 50 (0.90) kept Peak 793 (3.32, 4.83, 59.17 ppm): 2 chemical-shift based assignments, quality = 0.883, support = 3.08, residual support = 21.0: * O T HB3 TRP 50 - HA TRP 50 50.000% * 99.1037% (0.89 10.0 10.00 3.10 21.16) = 99.104% kept HB2 TYR 86 - HA TRP 50 50.000% * 0.8963% (0.21 1.0 1.00 0.75 0.02) = 0.896% Peak 797 (1.29, 1.30, 63.88 ppm): 1 diagonal assignment: * QG2 THR 51 - QG2 THR 51 (0.87) kept Peak 800 (1.07, 1.08, 23.42 ppm): 1 diagonal assignment: * QG1 VAL 52 - QG1 VAL 52 (0.87) kept Peak 802 (0.94, 0.95, 63.55 ppm): 1 diagonal assignment: * QG2 VAL 52 - QG2 VAL 52 (0.84) kept Peak 803 (1.81, 4.73, 56.48 ppm): 18 chemical-shift based assignments, quality = 0.693, support = 4.35, residual support = 49.7: * O T HG2 ARG+ 53 - HA ARG+ 53 5.556% * 57.2066% (0.94 10.0 10.00 5.86 65.93) = 57.207% kept O T HG3 ARG+ 53 - HA ARG+ 53 5.556% * 15.0795% (0.25 10.0 10.00 4.85 65.93) = 15.080% kept O T HB3 LYS+ 20 - HA LYS+ 20 5.556% * 7.6361% (0.13 10.0 10.00 2.48 22.75) = 7.636% kept T HG LEU 42 - HA ARG+ 53 5.556% * 7.3933% (0.96 1.0 10.00 0.25 2.89) = 7.393% kept T HD2 LYS+ 55 - HA ARG+ 53 5.556% * 7.3121% (0.37 1.0 10.00 0.64 1.11) = 7.312% kept T HG LEU 82 - HA ARG+ 53 5.556% * 2.8028% (0.41 1.0 10.00 0.23 0.02) = 2.803% kept T HB3 LYS+ 20 - HA ARG+ 53 5.556% * 0.6167% (0.22 1.0 10.00 0.09 0.02) = 0.617% T HB3 LYS+ 17 - HA ARG+ 53 5.556% * 0.5583% (0.91 1.0 10.00 0.02 0.02) = 0.558% T HG LEU 42 - HA LYS+ 20 5.556% * 0.3310% (0.54 1.0 10.00 0.02 0.02) = 0.331% T HG2 ARG+ 53 - HA LYS+ 20 5.556% * 0.3245% (0.53 1.0 10.00 0.02 0.02) = 0.324% T HB3 LYS+ 17 - HA LYS+ 20 5.556% * 0.3166% (0.52 1.0 10.00 0.02 0.10) = 0.317% T HG LEU 82 - HA LYS+ 20 5.556% * 0.1410% (0.23 1.0 10.00 0.02 0.02) = 0.141% T HD2 LYS+ 55 - HA LYS+ 20 5.556% * 0.1287% (0.21 1.0 10.00 0.02 0.02) = 0.129% T HG3 ARG+ 53 - HA LYS+ 20 5.556% * 0.0855% (0.14 1.0 10.00 0.02 0.02) = 0.086% HB ILE 24 - HA ARG+ 53 5.556% * 0.0294% (0.48 1.0 1.00 0.02 0.22) = 0.029% HB ILE 24 - HA LYS+ 20 5.556% * 0.0167% (0.27 1.0 1.00 0.02 3.50) = 0.017% HD3 PRO 25 - HA ARG+ 53 5.556% * 0.0135% (0.22 1.0 1.00 0.02 0.02) = 0.013% HD3 PRO 25 - HA LYS+ 20 5.556% * 0.0076% (0.13 1.0 1.00 0.02 0.73) = 0.008% Peak 804 (1.78, 4.73, 56.48 ppm): 16 chemical-shift based assignments, quality = 0.803, support = 3.13, residual support = 38.2: * O T HG3 ARG+ 53 - HA ARG+ 53 6.250% * 48.1664% (0.96 10.0 10.00 4.85 65.93) = 48.166% kept O T HB3 LYS+ 20 - HA LYS+ 20 6.250% * 27.7463% (0.55 10.0 10.00 2.48 22.75) = 27.746% kept T HD2 LYS+ 55 - HA ARG+ 53 6.250% * 13.9474% (0.86 1.0 10.00 0.64 1.11) = 13.947% kept T HG LEU 82 - HA ARG+ 53 6.250% * 4.6996% (0.83 1.0 10.00 0.23 0.02) = 4.700% kept T HB3 LYS+ 20 - HA ARG+ 53 6.250% * 2.2409% (0.97 1.0 10.00 0.09 0.02) = 2.241% kept T HB2 LYS+ 55 - HA ARG+ 53 6.250% * 1.5385% (0.56 1.0 10.00 0.11 1.11) = 1.539% kept HB VAL 61 - HA LYS+ 20 6.250% * 0.4063% (0.36 1.0 1.00 0.44 0.02) = 0.406% T HG3 ARG+ 53 - HA LYS+ 20 6.250% * 0.2732% (0.54 1.0 10.00 0.02 0.02) = 0.273% T HD2 LYS+ 55 - HA LYS+ 20 6.250% * 0.2455% (0.49 1.0 10.00 0.02 0.02) = 0.246% T HG LEU 82 - HA LYS+ 20 6.250% * 0.2364% (0.47 1.0 10.00 0.02 0.02) = 0.236% T HB2 LYS+ 55 - HA LYS+ 20 6.250% * 0.1603% (0.32 1.0 10.00 0.02 0.02) = 0.160% T HB3 LYS+ 17 - HA ARG+ 53 6.250% * 0.1540% (0.31 1.0 10.00 0.02 0.02) = 0.154% T HB3 LYS+ 17 - HA LYS+ 20 6.250% * 0.0874% (0.17 1.0 10.00 0.02 0.10) = 0.087% HB ILE 95 - HA ARG+ 53 6.250% * 0.0417% (0.83 1.0 1.00 0.02 0.02) = 0.042% HB VAL 61 - HA ARG+ 53 6.250% * 0.0323% (0.64 1.0 1.00 0.02 0.69) = 0.032% HB ILE 95 - HA LYS+ 20 6.250% * 0.0236% (0.47 1.0 1.00 0.02 0.02) = 0.024% Peak 805 (1.94, 4.73, 56.48 ppm): 18 chemical-shift based assignments, quality = 0.888, support = 4.47, residual support = 63.7: * O HB3 ARG+ 53 - HA ARG+ 53 5.556% * 96.6596% (0.91 10.0 4.62 65.93) = 96.660% kept HB3 GLU- 77 - HA LYS+ 20 5.556% * 1.0344% (0.32 1.0 0.62 0.02) = 1.034% kept HB3 ARG+ 53 - HA LYS+ 20 5.556% * 0.9674% (0.52 1.0 0.35 0.02) = 0.967% HB3 GLN 83 - HA LYS+ 20 5.556% * 0.4819% (0.09 1.0 1.05 0.36) = 0.482% QG PRO 37 - HA ARG+ 53 5.556% * 0.1038% (0.98 1.0 0.02 0.02) = 0.104% HB3 TYR 31 - HA ARG+ 53 5.556% * 0.1038% (0.98 1.0 0.02 0.02) = 0.104% QB GLU- 6 - HA ARG+ 53 5.556% * 0.0875% (0.83 1.0 0.02 0.02) = 0.087% HB3 GLU- 16 - HA ARG+ 53 5.556% * 0.0838% (0.79 1.0 0.02 0.15) = 0.084% HB2 LYS+ 60 - HA ARG+ 53 5.556% * 0.0838% (0.79 1.0 0.02 0.02) = 0.084% HB3 GLU- 77 - HA ARG+ 53 5.556% * 0.0593% (0.56 1.0 0.02 0.02) = 0.059% HB3 TYR 31 - HA LYS+ 20 5.556% * 0.0589% (0.56 1.0 0.02 0.02) = 0.059% QG PRO 37 - HA LYS+ 20 5.556% * 0.0589% (0.56 1.0 0.02 0.02) = 0.059% QB GLU- 6 - HA LYS+ 20 5.556% * 0.0496% (0.47 1.0 0.02 0.02) = 0.050% HB2 LYS+ 60 - HA LYS+ 20 5.556% * 0.0476% (0.45 1.0 0.02 0.02) = 0.048% HB3 GLU- 16 - HA LYS+ 20 5.556% * 0.0476% (0.45 1.0 0.02 0.02) = 0.048% HB VAL 71 - HA ARG+ 53 5.556% * 0.0357% (0.34 1.0 0.02 0.02) = 0.036% HB VAL 71 - HA LYS+ 20 5.556% * 0.0203% (0.19 1.0 0.02 0.02) = 0.020% HB3 GLN 83 - HA ARG+ 53 5.556% * 0.0162% (0.15 1.0 0.02 0.17) = 0.016% Peak 806 (3.40, 4.73, 56.48 ppm): 6 chemical-shift based assignments, quality = 0.981, support = 5.4, residual support = 65.2: * T QD ARG+ 53 - HA ARG+ 53 16.667% * 98.9393% (0.99 10.00 5.46 65.93) = 98.939% kept T QD ARG+ 53 - HA LYS+ 20 16.667% * 0.5611% (0.56 10.00 0.02 0.02) = 0.561% T HD2 ARG+ 90 - HA ARG+ 53 16.667% * 0.3054% (0.31 10.00 0.02 0.02) = 0.305% T HD2 ARG+ 90 - HA LYS+ 20 16.667% * 0.1732% (0.17 10.00 0.02 0.02) = 0.173% HA ILE 24 - HA ARG+ 53 16.667% * 0.0134% (0.13 1.00 0.02 0.22) = 0.013% HA ILE 24 - HA LYS+ 20 16.667% * 0.0076% (0.08 1.00 0.02 3.50) = 0.008% Peak 807 (1.81, 1.81, 28.27 ppm): 3 diagonal assignments: * HG2 ARG+ 53 - HG2 ARG+ 53 (0.91) kept HG LEU 42 - HG LEU 42 (0.91) kept HG LEU 82 - HG LEU 82 (0.02) kept Peak 808 (1.78, 1.79, 28.27 ppm): 2 diagonal assignments: * HG3 ARG+ 53 - HG3 ARG+ 53 (0.91) kept HG LEU 82 - HG LEU 82 (0.22) kept Peak 815 (1.94, 1.95, 32.17 ppm): 1 diagonal assignment: * HB3 ARG+ 53 - HB3 ARG+ 53 (0.90) kept Peak 819 (2.09, 5.44, 54.98 ppm): 7 chemical-shift based assignments, quality = 0.889, support = 4.0, residual support = 60.6: * O T HG2 MET 54 - HA MET 54 14.286% * 99.3785% (0.89 10.0 10.00 4.03 61.01) = 99.378% kept T HB2 MET 1 - HA MET 54 14.286% * 0.2193% (0.20 1.0 10.00 0.02 0.02) = 0.219% QB ARG+ 88 - HA MET 54 14.286% * 0.1098% (0.99 1.0 1.00 0.02 0.02) = 0.110% HB2 LYS+ 11 - HA MET 54 14.286% * 0.0994% (0.89 1.0 1.00 0.02 0.11) = 0.099% HB2 GLU- 16 - HA MET 54 14.286% * 0.0761% (0.69 1.0 1.00 0.02 1.53) = 0.076% HB3 PRO 37 - HA MET 54 14.286% * 0.0672% (0.61 1.0 1.00 0.02 0.02) = 0.067% HG3 GLN 83 - HA MET 54 14.286% * 0.0497% (0.45 1.0 1.00 0.02 1.51) = 0.050% Peak 821 (2.09, 2.10, 32.48 ppm): 2 diagonal assignments: * HG2 MET 54 - HG2 MET 54 (0.89) kept HB2 MET 1 - HB2 MET 1 (0.03) kept Peak 822 (2.01, 2.02, 32.48 ppm): 3 diagonal assignments: * HG3 MET 54 - HG3 MET 54 (0.89) kept HB3 MET 1 - HB3 MET 1 (0.23) kept HB2 ARG+ 53 - HB2 ARG+ 53 (0.19) kept Peak 823 (2.01, 5.44, 54.98 ppm): 7 chemical-shift based assignments, quality = 0.779, support = 4.34, residual support = 43.1: * O T HG3 MET 54 - HA MET 54 14.286% * 57.2553% (0.89 10.0 10.00 4.69 61.01) = 57.255% kept T HB2 ARG+ 53 - HA MET 54 14.286% * 41.2996% (0.65 1.0 10.00 4.01 19.87) = 41.300% kept HB2 LYS+ 20 - HA MET 54 14.286% * 0.7609% (0.80 1.0 1.00 0.30 0.02) = 0.761% T HB3 MET 1 - HA MET 54 14.286% * 0.6370% (1.00 1.0 10.00 0.02 0.02) = 0.637% HG2 PRO 33 - HA MET 54 14.286% * 0.0218% (0.34 1.0 1.00 0.02 11.25) = 0.022% HB VAL 52 - HA MET 54 14.286% * 0.0142% (0.22 1.0 1.00 0.02 2.15) = 0.014% HB ILE 38 - HA MET 54 14.286% * 0.0112% (0.17 1.0 1.00 0.02 0.12) = 0.011% Peak 826 (1.75, 4.76, 54.95 ppm): 9 chemical-shift based assignments, quality = 0.788, support = 4.72, residual support = 77.1: * O T HB2 LYS+ 55 - HA LYS+ 55 11.111% * 84.1239% (0.87 10.0 10.00 5.44 91.44) = 84.124% kept T HG3 ARG+ 53 - HA LYS+ 55 11.111% * 8.5436% (0.19 1.0 10.00 0.92 1.11) = 8.544% kept HB VAL 61 - HA LYS+ 55 11.111% * 2.9381% (0.81 1.0 1.00 0.75 2.19) = 2.938% kept HB ILE 95 - HA LYS+ 55 11.111% * 2.4650% (0.62 1.0 1.00 0.81 0.27) = 2.465% kept HG12 ILE 38 - HA LYS+ 55 11.111% * 1.5223% (0.30 1.0 1.00 1.05 0.88) = 1.522% kept T HB3 LYS+ 20 - HA LYS+ 55 11.111% * 0.2088% (0.21 1.0 10.00 0.02 0.02) = 0.209% HB ILE 14 - HA LYS+ 55 11.111% * 0.0814% (0.84 1.0 1.00 0.02 0.98) = 0.081% HB3 PRO 25 - HA LYS+ 55 11.111% * 0.0783% (0.81 1.0 1.00 0.02 0.02) = 0.078% HB2 ARG+ 48 - HA LYS+ 55 11.111% * 0.0386% (0.40 1.0 1.00 0.02 0.02) = 0.039% Peak 828 (1.75, 1.76, 37.70 ppm): 1 diagonal assignment: * HB2 LYS+ 55 - HB2 LYS+ 55 (0.89) kept Peak 831 (1.35, 1.36, 24.71 ppm): 2 diagonal assignments: * QG LYS+ 55 - QG LYS+ 55 (0.87) kept HG2 LYS+ 17 - HG2 LYS+ 17 (0.10) kept Peak 832 (1.78, 1.79, 29.24 ppm): 1 diagonal assignment: * HD2 LYS+ 55 - HD2 LYS+ 55 (0.89) kept Peak 833 (1.69, 1.70, 29.24 ppm): 2 diagonal assignments: * HD3 LYS+ 55 - HD3 LYS+ 55 (0.87) kept QB GLU- 30 - QB GLU- 30 (0.12) kept Peak 834 (2.96, 2.96, 42.51 ppm): 1 diagonal assignment: * QE LYS+ 55 - QE LYS+ 55 (0.87) kept Peak 839 (2.56, 1.66, 33.96 ppm): 6 chemical-shift based assignments, quality = 0.87, support = 6.19, residual support = 155.8: * T HE2 LYS+ 56 - HB2 LYS+ 56 16.667% * 96.8930% (0.88 10.00 6.37 160.79) = 96.893% kept HB3 ASP- 41 - HB2 LYS+ 56 16.667% * 1.8077% (0.44 1.00 0.75 0.46) = 1.808% kept T HB3 TYR 81 - HB2 LYS+ 56 16.667% * 1.0804% (0.98 10.00 0.02 1.05) = 1.080% kept HG3 MET 1 - HB2 LYS+ 56 16.667% * 0.1078% (0.98 1.00 0.02 0.02) = 0.108% HB3 PHE 13 - HB2 LYS+ 56 16.667% * 0.0742% (0.67 1.00 0.02 6.30) = 0.074% HB3 ASN 75 - HB2 LYS+ 56 16.667% * 0.0369% (0.33 1.00 0.02 0.52) = 0.037% Peak 841 (0.95, 0.96, 25.36 ppm): 2 diagonal assignments: * HG3 LYS+ 56 - HG3 LYS+ 56 (0.87) kept QD2 LEU 82 - QD2 LEU 82 (0.25) kept Peak 842 (1.05, 1.05, 25.36 ppm): 1 diagonal assignment: * HG2 LYS+ 56 - HG2 LYS+ 56 (0.87) kept Peak 846 (1.28, 1.29, 29.57 ppm): 1 diagonal assignment: * HD2 LYS+ 56 - HD2 LYS+ 56 (0.87) kept Peak 847 (1.17, 1.18, 29.57 ppm): 1 diagonal assignment: * HD3 LYS+ 56 - HD3 LYS+ 56 (0.87) kept Peak 850 (2.56, 2.57, 41.87 ppm): 2 diagonal assignments: * HE2 LYS+ 56 - HE2 LYS+ 56 (0.89) kept HB3 TYR 81 - HB3 TYR 81 (0.34) kept Peak 851 (2.38, 2.38, 41.87 ppm): 1 diagonal assignment: * HE3 LYS+ 56 - HE3 LYS+ 56 (0.87) kept Peak 862 (2.31, 2.32, 36.36 ppm): 2 diagonal assignments: * QG GLU- 59 - QG GLU- 59 (0.89) kept QG GLU- 16 - QG GLU- 16 (0.02) kept Peak 866 (1.33, 1.34, 26.33 ppm): 2 diagonal assignments: * QG LYS+ 60 - QG LYS+ 60 (0.87) kept HG LEU 63 - HG LEU 63 (0.25) kept Peak 868 (3.04, 3.04, 43.16 ppm): 1 diagonal assignment: * HE2 LYS+ 60 - HE2 LYS+ 60 (0.91) kept Peak 869 (2.96, 2.97, 43.16 ppm): 2 diagonal assignments: * HE3 LYS+ 60 - HE3 LYS+ 60 (0.91) kept HD3 ARG+ 88 - HD3 ARG+ 88 (0.19) kept Peak 870 (1.70, 1.71, 28.27 ppm): 2 diagonal assignments: * QD LYS+ 60 - QD LYS+ 60 (0.89) kept HG2 PRO 25 - HG2 PRO 25 (0.21) kept Peak 871 (0.73, 4.47, 62.22 ppm): 3 chemical-shift based assignments, quality = 0.849, support = 3.5, residual support = 46.5: * O T QG1 VAL 61 - HA VAL 61 33.333% * 97.5382% (0.85 10.0 10.00 3.58 47.59) = 97.538% kept QG1 ILE 96 - HA VAL 61 33.333% * 2.0055% (0.98 1.0 1.00 0.36 2.32) = 2.005% kept QD1 LEU 43 - HA VAL 61 33.333% * 0.4564% (0.33 1.0 1.00 0.24 5.11) = 0.456% Peak 873 (0.79, 4.47, 62.22 ppm): 6 chemical-shift based assignments, quality = 0.84, support = 3.52, residual support = 44.5: * O T QG2 VAL 61 - HA VAL 61 16.667% * 93.1154% (0.85 10.0 10.00 3.68 47.59) = 93.115% kept QG2 ILE 96 - HA VAL 61 16.667% * 4.6799% (0.96 1.0 1.00 0.89 2.32) = 4.680% kept QG2 VAL 71 - HA VAL 61 16.667% * 1.9992% (0.15 1.0 1.00 2.41 4.89) = 1.999% kept HB2 LEU 76 - HA VAL 61 16.667% * 0.0897% (0.82 1.0 1.00 0.02 0.39) = 0.090% HG LEU 22 - HA VAL 61 16.667% * 0.0860% (0.78 1.0 1.00 0.02 0.02) = 0.086% HG13 ILE 24 - HA VAL 61 16.667% * 0.0298% (0.27 1.0 1.00 0.02 1.60) = 0.030% Peak 875 (0.73, 0.74, 23.42 ppm): 1 diagonal assignment: * QG1 VAL 61 - QG1 VAL 61 (0.87) kept Peak 877 (0.79, 0.80, 63.88 ppm): 1 diagonal assignment: * QG2 VAL 61 - QG2 VAL 61 (0.87) kept Peak 882 (1.28, 1.29, 40.44 ppm): 1 diagonal assignment: * HB3 LEU 63 - HB3 LEU 63 (0.90) kept Peak 883 (1.28, 5.02, 54.35 ppm): 4 chemical-shift based assignments, quality = 0.915, support = 5.32, residual support = 114.9: * O T HB3 LEU 63 - HA LEU 63 25.000% * 91.2720% (0.91 10.0 10.00 5.74 125.82) = 91.272% kept QD1 LEU 82 - HA LEU 63 25.000% * 6.2030% (0.98 1.0 1.00 1.27 1.67) = 6.203% kept HD2 LYS+ 56 - HA LEU 63 25.000% * 1.3315% (0.96 1.0 1.00 0.28 0.50) = 1.332% kept QG2 THR 51 - HA LEU 63 25.000% * 1.1934% (0.48 1.0 1.00 0.50 0.02) = 1.193% kept Peak 886 (1.33, 5.02, 54.35 ppm): 5 chemical-shift based assignments, quality = 0.914, support = 5.25, residual support = 120.9: * O HG LEU 63 - HA LEU 63 20.000% * 95.9844% (0.91 10.0 5.45 125.82) = 95.984% kept HG12 ILE 14 - HA LEU 63 20.000% * 2.4905% (0.99 1.0 0.48 3.04) = 2.490% kept QG LYS+ 60 - HA LEU 63 20.000% * 1.4291% (0.79 1.0 0.34 0.78) = 1.429% kept QB ALA 34 - HA LEU 63 20.000% * 0.0755% (0.72 1.0 0.02 0.02) = 0.076% QG LYS+ 55 - HA LEU 63 20.000% * 0.0206% (0.20 1.0 0.02 8.82) = 0.021% Peak 887 (0.32, 0.33, 26.01 ppm): 1 diagonal assignment: * QD1 LEU 63 - QD1 LEU 63 (0.87) kept Peak 889 (1.33, 1.34, 26.65 ppm): 3 diagonal assignments: * HG LEU 63 - HG LEU 63 (0.90) kept HG12 ILE 14 - HG12 ILE 14 (0.23) kept QG LYS+ 60 - QG LYS+ 60 (0.22) kept Peak 892 (0.56, 0.57, 23.09 ppm): 2 diagonal assignments: * QD2 LEU 63 - QD2 LEU 63 (0.89) kept QD2 LEU 22 - QD2 LEU 22 (0.71) kept Peak 893 (0.56, 5.02, 54.35 ppm): 3 chemical-shift based assignments, quality = 0.834, support = 4.94, residual support = 100.0: * T QD2 LEU 63 - HA LEU 63 33.333% * 67.6250% (0.89 10.00 6.74 125.82) = 67.625% kept T QD2 LEU 22 - HA LEU 63 33.333% * 32.3562% (0.72 10.00 1.18 46.03) = 32.356% kept QG2 ILE 95 - HA LEU 63 33.333% * 0.0188% (0.25 1.00 0.02 0.66) = 0.019% Peak 897 (0.98, 0.99, 23.42 ppm): 1 diagonal assignment: * QG2 THR 64 - QG2 THR 64 (0.87) kept Peak 900 (1.22, 1.23, 63.23 ppm): 1 diagonal assignment: * QG1 VAL 65 - QG1 VAL 65 (0.89) kept Peak 901 (1.22, 3.89, 65.70 ppm): 8 chemical-shift based assignments, quality = 0.886, support = 3.3, residual support = 44.6: * O T QG1 VAL 65 - HA VAL 65 12.500% * 95.1130% (0.89 10.0 10.00 3.44 46.86) = 95.113% kept HG3 GLU- 23 - HA VAL 65 12.500% * 2.6480% (0.83 1.0 1.00 0.60 0.02) = 2.648% kept QE MET 54 - HA VAL 65 12.500% * 1.9942% (0.65 1.0 1.00 0.58 0.39) = 1.994% kept HB3 LEU 42 - HA VAL 65 12.500% * 0.1051% (0.99 1.0 1.00 0.02 0.02) = 0.105% HB3 LYS+ 56 - HA VAL 65 12.500% * 0.0600% (0.56 1.0 1.00 0.02 0.02) = 0.060% QG2 THR 39 - HA VAL 65 12.500% * 0.0295% (0.28 1.0 1.00 0.02 0.69) = 0.029% QG2 THR 4 - HA VAL 65 12.500% * 0.0264% (0.25 1.0 1.00 0.02 0.02) = 0.026% HB3 LEU 82 - HA VAL 65 12.500% * 0.0236% (0.22 1.0 1.00 0.02 0.02) = 0.024% Peak 902 (1.14, 3.89, 65.70 ppm): 7 chemical-shift based assignments, quality = 0.883, support = 4.56, residual support = 44.5: * O T QG2 VAL 65 - HA VAL 65 14.286% * 94.9475% (0.89 10.0 10.00 4.76 46.86) = 94.948% kept QG2 ILE 38 - HA VAL 65 14.286% * 4.1289% (0.80 1.0 1.00 0.97 0.11) = 4.129% kept HG3 ARG+ 48 - HA VAL 65 14.286% * 0.7246% (0.34 1.0 1.00 0.40 0.02) = 0.725% HG3 ARG+ 88 - HA VAL 65 14.286% * 0.1056% (1.00 1.0 1.00 0.02 0.02) = 0.106% HG13 ILE 95 - HA VAL 65 14.286% * 0.0515% (0.49 1.0 1.00 0.02 0.02) = 0.052% HB3 LEU 43 - HA VAL 65 14.286% * 0.0210% (0.20 1.0 1.00 0.02 0.02) = 0.021% HG13 ILE 14 - HA VAL 65 14.286% * 0.0210% (0.20 1.0 1.00 0.02 0.02) = 0.021% Peak 904 (1.14, 1.14, 62.58 ppm): 1 diagonal assignment: * QG2 VAL 65 - QG2 VAL 65 (0.89) kept Peak 913 (2.49, 2.50, 36.36 ppm): 1 diagonal assignment: * HG2 GLU- 68 - HG2 GLU- 68 (0.87) kept Peak 914 (2.38, 2.38, 36.36 ppm): 1 diagonal assignment: * HG3 GLU- 68 - HG3 GLU- 68 (0.87) kept Peak 923 (2.62, 2.62, 24.71 ppm): 1 diagonal assignment: * HA VAL 71 - HA VAL 71 (0.89) kept Peak 925 (1.91, 2.62, 24.71 ppm): 11 chemical-shift based assignments, quality = 0.889, support = 4.22, residual support = 57.3: * O HB VAL 71 - HA VAL 71 9.091% * 95.5497% (0.92 10.0 4.27 59.18) = 95.550% kept QB PHE 70 - HA VAL 71 9.091% * 4.0579% (0.22 1.0 3.52 17.66) = 4.058% kept HB2 LYS+ 17 - HA VAL 71 9.091% * 0.0752% (0.72 1.0 0.02 1.00) = 0.075% HB2 LYS+ 60 - HA VAL 71 9.091% * 0.0504% (0.49 1.0 0.02 1.81) = 0.050% HB3 GLU- 16 - HA VAL 71 9.091% * 0.0504% (0.49 1.0 0.02 0.02) = 0.050% QB GLU- 6 - HA VAL 71 9.091% * 0.0464% (0.45 1.0 0.02 0.02) = 0.046% HB3 GLU- 59 - HA VAL 71 9.091% * 0.0426% (0.41 1.0 0.02 0.02) = 0.043% QB LYS+ 80 - HA VAL 71 9.091% * 0.0426% (0.41 1.0 0.02 0.02) = 0.043% HB VAL 7 - HA VAL 71 9.091% * 0.0388% (0.37 1.0 0.02 0.59) = 0.039% HB3 TYR 31 - HA VAL 71 9.091% * 0.0230% (0.22 1.0 0.02 0.02) = 0.023% QG PRO 37 - HA VAL 71 9.091% * 0.0230% (0.22 1.0 0.02 0.02) = 0.023% Peak 926 (0.32, 2.62, 24.71 ppm): 4 chemical-shift based assignments, quality = 0.86, support = 3.95, residual support = 54.9: * O T QG1 VAL 71 - HA VAL 71 25.000% * 92.7285% (0.87 10.0 10.00 4.14 59.18) = 92.728% kept QG1 VAL 7 - HA VAL 71 25.000% * 7.1268% (0.80 1.0 1.00 1.67 0.59) = 7.127% kept QD1 LEU 63 - HA VAL 71 25.000% * 0.0927% (0.87 1.0 1.00 0.02 0.02) = 0.093% QD1 ILE 24 - HA VAL 71 25.000% * 0.0520% (0.49 1.0 1.00 0.02 1.80) = 0.052% Peak 927 (0.76, 2.62, 24.71 ppm): 4 chemical-shift based assignments, quality = 0.85, support = 4.09, residual support = 54.8: * O T QG2 VAL 71 - HA VAL 71 25.000% * 92.3034% (0.87 10.0 10.00 4.33 59.18) = 92.303% kept QD1 LEU 43 - HA VAL 71 25.000% * 3.8874% (0.92 1.0 1.00 0.79 0.10) = 3.887% kept QG1 VAL 61 - HA VAL 71 25.000% * 3.7882% (0.41 1.0 1.00 1.73 4.89) = 3.788% kept QG1 ILE 96 - HA VAL 71 25.000% * 0.0211% (0.20 1.0 1.00 0.02 0.02) = 0.021% Peak 929 (0.76, 0.77, 63.23 ppm): 1 diagonal assignment: * QG2 VAL 71 - QG2 VAL 71 (0.87) kept Peak 931 (0.32, 0.33, 22.77 ppm): 1 diagonal assignment: * QG1 VAL 71 - QG1 VAL 71 (0.87) kept Peak 933 (1.55, 4.00, 59.09 ppm): 3 chemical-shift based assignments, quality = 0.914, support = 4.06, residual support = 66.9: * O T HG2 LYS+ 72 - HA LYS+ 72 33.333% * 99.8966% (0.91 10.0 10.00 4.06 66.93) = 99.897% kept HG12 ILE 85 - HA LYS+ 72 33.333% * 0.0700% (0.64 1.0 1.00 0.02 0.02) = 0.070% HG2 GLU- 23 - HA LYS+ 72 33.333% * 0.0334% (0.31 1.0 1.00 0.02 1.03) = 0.033% Peak 935 (1.46, 4.00, 59.09 ppm): 6 chemical-shift based assignments, quality = 0.9, support = 4.47, residual support = 61.6: * O T HG3 LYS+ 72 - HA LYS+ 72 16.667% * 91.7946% (0.91 10.0 10.00 4.69 66.93) = 91.795% kept HB3 ASN 74 - HA LYS+ 72 16.667% * 7.9941% (0.76 1.0 1.00 2.10 1.71) = 7.994% kept HB2 LEU 63 - HA LYS+ 72 16.667% * 0.0831% (0.83 1.0 1.00 0.02 0.02) = 0.083% HB3 GLU- 23 - HA LYS+ 72 16.667% * 0.0683% (0.68 1.0 1.00 0.02 1.03) = 0.068% HB3 PHE 84 - HA LYS+ 72 16.667% * 0.0446% (0.44 1.0 1.00 0.02 0.02) = 0.045% HG2 ARG+ 48 - HA LYS+ 72 16.667% * 0.0153% (0.15 1.0 1.00 0.02 0.10) = 0.015% Peak 936 (1.55, 1.56, 25.04 ppm): 1 diagonal assignment: * HG2 LYS+ 72 - HG2 LYS+ 72 (0.90) kept Peak 937 (1.46, 1.46, 25.04 ppm): 1 diagonal assignment: * HG3 LYS+ 72 - HG3 LYS+ 72 (0.90) kept Peak 941 (1.70, 4.00, 59.09 ppm): 9 chemical-shift based assignments, quality = 0.684, support = 0.424, residual support = 0.392: HD3 LYS+ 55 - HA LYS+ 72 11.111% * 23.4198% (0.99 0.36 0.10) = 23.420% kept QD LYS+ 60 - HA LYS+ 72 11.111% * 21.1033% (0.91 0.35 0.46) = 21.103% kept HG2 PRO 25 - HA LYS+ 72 11.111% * 17.5679% (0.72 0.37 0.02) = 17.568% kept HB3 LYS+ 55 - HA LYS+ 72 11.111% * 11.2436% (0.37 0.46 0.10) = 11.244% kept HB2 LEU 43 - HA LYS+ 72 11.111% * 9.7549% (0.17 0.85 1.10) = 9.755% kept QD LYS+ 17 - HA LYS+ 72 11.111% * 8.8360% (0.20 0.68 1.66) = 8.836% kept HG LEU 26 - HA LYS+ 72 11.111% * 6.6346% (0.86 0.12 0.02) = 6.635% kept QB GLU- 30 - HA LYS+ 72 11.111% * 0.9008% (0.68 0.02 0.02) = 0.901% HB2 GLU- 23 - HA LYS+ 72 11.111% * 0.5391% (0.41 0.02 1.03) = 0.539% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 943 (2.99, 3.00, 42.19 ppm): 2 diagonal assignments: * QE LYS+ 72 - QE LYS+ 72 (0.91) kept QE LYS+ 11 - QE LYS+ 11 (0.90) kept Peak 947 (1.44, 4.49, 53.43 ppm): 8 chemical-shift based assignments, quality = 0.868, support = 2.99, residual support = 19.5: * O T HB3 ASN 74 - HA ASN 74 12.500% * 97.6799% (0.88 10.0 10.00 3.06 19.98) = 97.680% kept HB2 LEU 63 - HA ASN 74 12.500% * 1.1079% (0.82 1.0 1.00 0.24 0.02) = 1.108% kept T HB3 ASN 74 - HA ASN 100 12.500% * 0.9152% (0.82 1.0 10.00 0.02 0.02) = 0.915% HB2 LEU 63 - HA ASN 100 12.500% * 0.0852% (0.77 1.0 1.00 0.02 0.02) = 0.085% HG13 ILE 38 - HA ASN 74 12.500% * 0.0791% (0.71 1.0 1.00 0.02 0.02) = 0.079% HG13 ILE 38 - HA ASN 100 12.500% * 0.0741% (0.67 1.0 1.00 0.02 0.02) = 0.074% HG3 LYS+ 72 - HA ASN 74 12.500% * 0.0303% (0.27 1.0 1.00 0.02 1.71) = 0.030% HG3 LYS+ 72 - HA ASN 100 12.500% * 0.0284% (0.26 1.0 1.00 0.02 0.02) = 0.028% Peak 949 (2.66, 4.33, 56.96 ppm): 5 chemical-shift based assignments, quality = 0.969, support = 2.2, residual support = 16.8: * O HB3 ASP- 73 - HA ASP- 73 20.000% * 99.7149% (0.97 10.0 2.20 16.89) = 99.715% kept HD2 PRO 25 - HA ASP- 73 20.000% * 0.0962% (0.94 1.0 0.02 0.02) = 0.096% QG MET 101 - HA ASP- 73 20.000% * 0.0882% (0.86 1.0 0.02 0.02) = 0.088% HG2 MET 10 - HA ASP- 73 20.000% * 0.0850% (0.83 1.0 0.02 0.22) = 0.085% HB2 ASP- 41 - HA ASP- 73 20.000% * 0.0157% (0.15 1.0 0.02 0.02) = 0.016% Peak 950 (2.66, 2.67, 41.08 ppm): 1 diagonal assignment: * HB3 ASP- 73 - HB3 ASP- 73 (0.90) kept Peak 955 (1.44, 1.45, 39.10 ppm): 1 diagonal assignment: * HB3 ASN 74 - HB3 ASN 74 (0.89) kept Peak 960 (0.42, 0.43, 24.06 ppm): 1 diagonal assignment: * QD2 LEU 76 - QD2 LEU 76 (0.84) kept Peak 961 (0.99, 0.99, 26.65 ppm): 1 diagonal assignment: * HG LEU 76 - HG LEU 76 (0.89) kept Peak 962 (0.41, 0.41, 26.65 ppm): 1 diagonal assignment: * QD1 LEU 76 - QD1 LEU 76 (0.87) kept Peak 963 (2.21, 2.21, 35.39 ppm): 1 diagonal assignment: * QG GLU- 77 - QG GLU- 77 (0.89) kept Peak 964 (2.21, 4.66, 54.08 ppm): 7 chemical-shift based assignments, quality = 0.927, support = 3.74, residual support = 45.4: O T HB2 GLU- 77 - HA GLU- 77 14.286% * 52.4297% (0.98 10.0 10.00 4.39 45.58) = 52.430% kept * O T QG GLU- 77 - HA GLU- 77 14.286% * 47.1251% (0.88 10.0 10.00 3.05 45.58) = 47.125% kept QG GLU- 6 - HA GLU- 77 14.286% * 0.2840% (0.98 1.0 1.00 0.11 0.02) = 0.284% HB2 MET 101 - HA GLU- 77 14.286% * 0.0515% (0.96 1.0 1.00 0.02 0.02) = 0.052% QB GLU- 68 - HA GLU- 77 14.286% * 0.0507% (0.95 1.0 1.00 0.02 0.02) = 0.051% HB2 LEU 42 - HA GLU- 77 14.286% * 0.0485% (0.90 1.0 1.00 0.02 0.02) = 0.049% HB2 PHE 84 - HA GLU- 77 14.286% * 0.0104% (0.19 1.0 1.00 0.02 0.02) = 0.010% Peak 977 (1.01, 5.38, 63.71 ppm): 5 chemical-shift based assignments, quality = 0.816, support = 3.13, residual support = 23.1: * O T QG2 THR 91 - HA THR 91 20.000% * 89.5589% (0.87 10.0 10.00 3.26 25.71) = 89.559% kept QG1 VAL 40 - HA THR 91 20.000% * 6.0327% (0.41 1.0 1.00 2.84 0.67) = 6.033% kept QD1 ILE 38 - HA THR 91 20.000% * 2.2141% (0.61 1.0 1.00 0.71 0.24) = 2.214% kept QG2 THR 64 - HA THR 91 20.000% * 1.5017% (0.20 1.0 1.00 1.47 1.02) = 1.502% kept HG LEU 76 - HA THR 91 20.000% * 0.6926% (0.41 1.0 1.00 0.33 0.02) = 0.693% Peak 978 (1.01, 1.02, 63.23 ppm): 1 diagonal assignment: * QG2 THR 91 - QG2 THR 91 (0.87) kept Peak 980 (3.92, 3.93, 29.24 ppm): 1 diagonal assignment: * HB THR 91 - HB THR 91 (0.87) kept Peak 984 (1.59, 1.59, 26.65 ppm): 1 diagonal assignment: * QG LYS+ 80 - QG LYS+ 80 (1.00) kept Peak 985 (1.89, 1.90, 34.42 ppm): 2 diagonal assignments: * QB LYS+ 80 - QB LYS+ 80 (0.91) kept HB VAL 7 - HB VAL 7 (0.56) kept Peak 989 (1.78, 5.16, 53.93 ppm): 16 chemical-shift based assignments, quality = 0.822, support = 3.45, residual support = 74.3: * O T HG LEU 82 - HA LEU 82 6.250% * 89.0262% (0.87 10.0 10.00 3.84 82.56) = 89.026% kept T HG LEU 82 - HA LYS+ 11 6.250% * 6.3964% (0.53 1.0 10.00 0.24 11.78) = 6.396% kept HB ILE 95 - HA LEU 82 6.250% * 2.4139% (0.74 1.0 1.00 0.64 0.38) = 2.414% kept T HG3 ARG+ 53 - HA LEU 82 6.250% * 0.9839% (0.96 1.0 10.00 0.02 0.02) = 0.984% T HG3 ARG+ 53 - HA LYS+ 11 6.250% * 0.5987% (0.58 1.0 10.00 0.02 0.02) = 0.599% HB3 LYS+ 20 - HA LEU 82 6.250% * 0.0990% (0.96 1.0 1.00 0.02 0.02) = 0.099% HD2 LYS+ 55 - HA LEU 82 6.250% * 0.0916% (0.89 1.0 1.00 0.02 4.95) = 0.092% HB3 LYS+ 20 - HA LYS+ 11 6.250% * 0.0603% (0.59 1.0 1.00 0.02 0.02) = 0.060% HB VAL 61 - HA LEU 82 6.250% * 0.0562% (0.55 1.0 1.00 0.02 0.02) = 0.056% HD2 LYS+ 55 - HA LYS+ 11 6.250% * 0.0558% (0.54 1.0 1.00 0.02 0.02) = 0.056% HB2 LYS+ 55 - HA LEU 82 6.250% * 0.0483% (0.47 1.0 1.00 0.02 4.95) = 0.048% HB ILE 95 - HA LYS+ 11 6.250% * 0.0462% (0.45 1.0 1.00 0.02 0.02) = 0.046% HB3 LYS+ 17 - HA LEU 82 6.250% * 0.0373% (0.36 1.0 1.00 0.02 0.41) = 0.037% HB VAL 61 - HA LYS+ 11 6.250% * 0.0342% (0.33 1.0 1.00 0.02 0.02) = 0.034% HB2 LYS+ 55 - HA LYS+ 11 6.250% * 0.0294% (0.29 1.0 1.00 0.02 0.02) = 0.029% HB3 LYS+ 17 - HA LYS+ 11 6.250% * 0.0227% (0.22 1.0 1.00 0.02 0.02) = 0.023% Peak 990 (1.78, 1.79, 27.95 ppm): 2 diagonal assignments: * HG LEU 82 - HG LEU 82 (0.89) kept HG3 ARG+ 53 - HG3 ARG+ 53 (0.24) kept Peak 992 (1.27, 1.28, 26.65 ppm): 1 diagonal assignment: * QD1 LEU 82 - QD1 LEU 82 (0.84) kept Peak 996 (0.95, 0.96, 25.68 ppm): 2 diagonal assignments: * QD2 LEU 82 - QD2 LEU 82 (0.87) kept HG3 LYS+ 56 - HG3 LYS+ 56 (0.19) kept Peak 998 (3.18, 5.12, 54.62 ppm): 4 chemical-shift based assignments, quality = 0.742, support = 0.02, residual support = 0.306: HD3 ARG+ 90 - HA GLN 83 25.000% * 42.9979% (0.96 0.02 0.02) = 42.998% kept HB3 SER 18 - HA GLN 83 25.000% * 35.1256% (0.78 0.02 0.84) = 35.126% kept QB HIS 99 - HA GLN 83 25.000% * 10.9382% (0.24 0.02 0.02) = 10.938% kept HB2 ASN 69 - HA GLN 83 25.000% * 10.9382% (0.24 0.02 0.02) = 10.938% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1001 (1.97, 5.12, 54.62 ppm): 4 chemical-shift based assignments, quality = 0.978, support = 4.38, residual support = 59.7: * O HB3 GLN 83 - HA GLN 83 25.000% * 99.8207% (0.98 10.0 4.38 59.82) = 99.821% kept HB VAL 65 - HA GLN 83 25.000% * 0.0799% (0.78 1.0 0.02 0.02) = 0.080% HB3 GLU- 77 - HA GLN 83 25.000% * 0.0686% (0.67 1.0 0.02 0.02) = 0.069% HB3 ARG+ 53 - HA GLN 83 25.000% * 0.0308% (0.30 1.0 0.02 0.17) = 0.031% Peak 1002 (2.47, 5.12, 54.62 ppm): 2 chemical-shift based assignments, quality = 0.98, support = 4.71, residual support = 59.8: * O HB2 GLN 83 - HA GLN 83 50.000% * 99.9802% (0.98 10.0 4.71 59.82) = 99.980% kept HG2 GLU- 68 - HA GLN 83 50.000% * 0.0198% (0.19 1.0 0.02 0.02) = 0.020% Peak 1006 (1.56, 4.76, 62.01 ppm): 3 chemical-shift based assignments, quality = 0.878, support = 5.29, residual support = 127.4: * O T HG12 ILE 85 - HA ILE 85 33.333% * 99.8611% (0.88 10.0 10.00 5.29 127.62) = 99.861% kept HG2 LYS+ 72 - HA ILE 85 33.333% * 0.1111% (0.98 1.0 1.00 0.02 0.02) = 0.111% QG ARG+ 90 - HA ILE 85 33.333% * 0.0278% (0.24 1.0 1.00 0.02 0.02) = 0.028% Peak 1007 (1.05, 4.76, 62.01 ppm): 3 chemical-shift based assignments, quality = 0.898, support = 4.49, residual support = 124.0: * O T HG13 ILE 85 - HA ILE 85 33.333% * 97.1726% (0.90 10.0 10.00 4.62 127.62) = 97.173% kept HG2 LYS+ 56 - HA ILE 85 33.333% * 1.6466% (0.98 1.0 1.00 0.31 0.02) = 1.647% kept T QG1 VAL 52 - HA ILE 85 33.333% * 1.1809% (0.24 1.0 10.00 0.09 2.88) = 1.181% kept Peak 1008 (1.56, 1.57, 27.95 ppm): 1 diagonal assignment: * HG12 ILE 85 - HG12 ILE 85 (0.89) kept Peak 1012 (1.05, 1.06, 27.95 ppm): 1 diagonal assignment: * HG13 ILE 85 - HG13 ILE 85 (0.90) kept Peak 1014 (0.97, 0.98, 59.99 ppm): 2 diagonal assignments: * QG2 ILE 85 - QG2 ILE 85 (0.89) kept QG2 ILE 14 - QG2 ILE 14 (0.11) kept Peak 1017 (0.88, 0.89, 55.79 ppm): 2 diagonal assignments: * QD1 ILE 85 - QD1 ILE 85 (0.87) kept QD1 ILE 95 - QD1 ILE 95 (0.06) kept Peak 1025 (1.37, 1.38, 28.59 ppm): 1 diagonal assignment: * HG2 ARG+ 88 - HG2 ARG+ 88 (0.89) kept Peak 1026 (1.13, 1.14, 28.59 ppm): 2 diagonal assignments: * HG3 ARG+ 88 - HG3 ARG+ 88 (0.90) kept HG13 ILE 95 - HG13 ILE 95 (0.23) kept Peak 1028 (1.37, 3.03, 59.30 ppm): 7 chemical-shift based assignments, quality = 0.881, support = 3.8, residual support = 89.0: * O T HG2 ARG+ 88 - HA ARG+ 88 14.286% * 97.2014% (0.89 10.0 10.00 3.90 91.54) = 97.201% kept QG LYS+ 55 - HA ARG+ 88 14.286% * 1.4726% (0.89 1.0 1.00 0.30 0.02) = 1.473% kept QB ALA 34 - HA ARG+ 88 14.286% * 1.1534% (0.34 1.0 1.00 0.62 0.02) = 1.153% kept HG2 LYS+ 17 - HA ARG+ 88 14.286% * 0.1046% (0.96 1.0 1.00 0.02 0.02) = 0.105% QG LYS+ 60 - HA ARG+ 88 14.286% * 0.0301% (0.28 1.0 1.00 0.02 0.02) = 0.030% QB ALA 2 - HA ARG+ 88 14.286% * 0.0190% (0.17 1.0 1.00 0.02 0.02) = 0.019% HG LEU 63 - HA ARG+ 88 14.286% * 0.0190% (0.17 1.0 1.00 0.02 0.02) = 0.019% Peak 1029 (1.13, 3.03, 59.30 ppm): 7 chemical-shift based assignments, quality = 0.906, support = 3.72, residual support = 90.6: * O T HG3 ARG+ 88 - HA ARG+ 88 14.286% * 98.9995% (0.91 10.0 10.00 3.76 91.54) = 98.999% kept T HG13 ILE 95 - HA ARG+ 88 14.286% * 0.7367% (0.68 1.0 10.00 0.02 0.02) = 0.737% QG2 ILE 38 - HA ARG+ 88 14.286% * 0.1014% (0.94 1.0 1.00 0.02 0.37) = 0.101% QG2 VAL 65 - HA ARG+ 88 14.286% * 0.0779% (0.72 1.0 1.00 0.02 0.02) = 0.078% HG13 ILE 14 - HA ARG+ 88 14.286% * 0.0366% (0.34 1.0 1.00 0.02 0.02) = 0.037% HG12 ILE 24 - HA ARG+ 88 14.286% * 0.0267% (0.25 1.0 1.00 0.02 0.02) = 0.027% HG3 ARG+ 48 - HA ARG+ 88 14.286% * 0.0212% (0.20 1.0 1.00 0.02 0.02) = 0.021% Peak 1032 (3.22, 3.23, 43.49 ppm): 1 diagonal assignment: * HD2 ARG+ 88 - HD2 ARG+ 88 (0.87) kept Peak 1033 (2.96, 2.97, 43.49 ppm): 3 diagonal assignments: * HD3 ARG+ 88 - HD3 ARG+ 88 (0.87) kept HD3 ARG+ 48 - HD3 ARG+ 48 (0.25) kept HE3 LYS+ 60 - HE3 LYS+ 60 (0.22) kept Peak 1040 (1.58, 1.59, 26.01 ppm): 1 diagonal assignment: * QG ARG+ 90 - QG ARG+ 90 (0.87) kept Peak 1046 (3.41, 3.42, 43.81 ppm): 2 diagonal assignments: * HD2 ARG+ 90 - HD2 ARG+ 90 (0.89) kept QD ARG+ 53 - QD ARG+ 53 (0.04) kept Peak 1047 (3.18, 3.19, 43.81 ppm): 1 diagonal assignment: * HD3 ARG+ 90 - HD3 ARG+ 90 (0.91) kept Peak 1051 (2.76, 5.29, 57.81 ppm): 5 chemical-shift based assignments, quality = 0.887, support = 3.22, residual support = 18.0: * O T HB3 TYR 93 - HA TYR 93 20.000% * 99.8420% (0.89 10.0 10.00 3.22 18.01) = 99.842% kept HB3 PHE 28 - HA TYR 93 20.000% * 0.0966% (0.86 1.0 1.00 0.02 0.02) = 0.097% QB ASP- 78 - HA TYR 93 20.000% * 0.0248% (0.22 1.0 1.00 0.02 0.02) = 0.025% HB2 ASN 100 - HA TYR 93 20.000% * 0.0195% (0.17 1.0 1.00 0.02 0.02) = 0.019% HB2 ASP- 73 - HA TYR 93 20.000% * 0.0172% (0.15 1.0 1.00 0.02 0.02) = 0.017% Peak 1053 (2.76, 2.77, 40.29 ppm): 1 diagonal assignment: * HB3 TYR 93 - HB3 TYR 93 (0.89) kept Peak 1057 (0.24, 0.25, 63.23 ppm): 1 diagonal assignment: * QG2 VAL 94 - QG2 VAL 94 (0.84) kept Peak 1061 (1.48, 1.49, 28.59 ppm): 2 diagonal assignments: * HG12 ILE 95 - HG12 ILE 95 (0.87) kept HG3 PRO 25 - HG3 PRO 25 (0.03) kept Peak 1062 (1.11, 1.12, 28.59 ppm): 2 diagonal assignments: * HG13 ILE 95 - HG13 ILE 95 (0.87) kept HG3 ARG+ 88 - HG3 ARG+ 88 (0.10) kept Peak 1063 (0.53, 0.54, 59.67 ppm): 1 diagonal assignment: * QG2 ILE 95 - QG2 ILE 95 (0.84) kept Peak 1064 (0.86, 0.87, 55.46 ppm): 2 diagonal assignments: * QD1 ILE 95 - QD1 ILE 95 (0.87) kept QD1 ILE 85 - QD1 ILE 85 (0.02) kept Peak 1065 (0.72, 0.73, 27.95 ppm): 1 diagonal assignment: * QG1 ILE 96 - QG1 ILE 96 (0.87) kept Peak 1068 (0.62, 0.63, 56.11 ppm): 1 diagonal assignment: * QD1 ILE 96 - QD1 ILE 96 (0.87) kept Peak 1069 (0.79, 0.80, 59.99 ppm): 1 diagonal assignment: * QG2 ILE 96 - QG2 ILE 96 (0.87) kept Peak 1078 (4.03, 4.04, 45.10 ppm): 1 diagonal assignment: * HA2 GLY 98 - HA2 GLY 98 (0.89) kept Peak 1079 (4.43, 4.44, 45.10 ppm): 1 diagonal assignment: * HA1 GLY 98 - HA1 GLY 98 (0.89) kept Peak 1080 (2.65, 2.66, 31.83 ppm): 1 diagonal assignment: * QG MET 101 - QG MET 101 (0.91) kept Peak 1081 (3.87, 3.87, 57.08 ppm): 1 diagonal assignment: * HA MET 101 - HA MET 101 (0.91) kept Peak 1083 (2.20, 2.21, 32.80 ppm): 1 diagonal assignment: * HB2 MET 101 - HB2 MET 101 (0.91) kept Peak 1084 (2.13, 2.14, 32.80 ppm): 2 diagonal assignments: * HB3 MET 101 - HB3 MET 101 (0.91) kept HB2 MET 1 - HB2 MET 1 (0.08) kept Peak 1085 (0.33, 0.34, 52.55 ppm): 1 diagonal assignment: * QD1 ILE 24 - QD1 ILE 24 (0.87) kept Peak 1086 (0.61, 0.34, 52.55 ppm): 3 chemical-shift based assignments, quality = 0.864, support = 6.73, residual support = 125.6: * T QG2 ILE 24 - QD1 ILE 24 33.333% * 99.8603% (0.87 10.00 6.74 125.79) = 99.860% kept QD1 LEU 42 - QD1 ILE 24 33.333% * 0.0745% (0.65 1.00 0.02 1.65) = 0.074% QD1 ILE 96 - QD1 ILE 24 33.333% * 0.0652% (0.56 1.00 0.02 0.10) = 0.065% Peak 1087 (0.61, 0.62, 57.73 ppm): 1 diagonal assignment: * QG2 ILE 24 - QG2 ILE 24 (0.87) kept Peak 1089 (1.10, 1.11, 27.95 ppm): 1 diagonal assignment: * HG12 ILE 24 - HG12 ILE 24 (0.89) kept Peak 1090 (0.81, 0.82, 27.95 ppm): 1 diagonal assignment: * HG13 ILE 24 - HG13 ILE 24 (0.89) kept Peak 1091 (0.81, 0.34, 52.55 ppm): 6 chemical-shift based assignments, quality = 0.881, support = 3.8, residual support = 98.8: * O T HG13 ILE 24 - QD1 ILE 24 16.667% * 78.2686% (0.89 10.0 10.00 4.71 125.79) = 78.269% kept T QG2 VAL 61 - QD1 ILE 24 16.667% * 17.2979% (0.83 1.0 10.00 0.47 1.60) = 17.298% kept HG LEU 22 - QD1 ILE 24 16.667% * 3.3036% (0.89 1.0 1.00 0.84 3.21) = 3.304% kept QG2 ILE 96 - QD1 ILE 24 16.667% * 1.0272% (0.65 1.0 1.00 0.36 0.10) = 1.027% kept HB2 LEU 76 - QD1 ILE 24 16.667% * 0.0757% (0.87 1.0 1.00 0.02 0.42) = 0.076% QD1 ILE 14 - QD1 ILE 24 16.667% * 0.0269% (0.31 1.0 1.00 0.02 0.62) = 0.027% Peak 1092 (1.10, 0.34, 52.55 ppm): 5 chemical-shift based assignments, quality = 0.862, support = 4.95, residual support = 113.6: * O T HG12 ILE 24 - QD1 ILE 24 20.000% * 89.6989% (0.89 10.0 10.00 5.26 125.79) = 89.699% kept QG1 VAL 52 - QD1 ILE 24 20.000% * 7.1640% (0.49 1.0 1.00 2.94 10.45) = 7.164% kept HG13 ILE 14 - QD1 ILE 24 20.000% * 3.0724% (0.80 1.0 1.00 0.77 0.62) = 3.072% kept HG13 ILE 95 - QD1 ILE 24 20.000% * 0.0448% (0.45 1.0 1.00 0.02 0.10) = 0.045% QG2 ILE 38 - QD1 ILE 24 20.000% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 1096 (1.82, 0.34, 52.55 ppm): 7 chemical-shift based assignments, quality = 0.829, support = 5.02, residual support = 96.1: * O T HB ILE 24 - QD1 ILE 24 14.286% * 57.1423% (0.94 10.0 10.00 5.18 125.79) = 57.142% kept T HD3 PRO 25 - QD1 ILE 24 14.286% * 41.4938% (0.69 1.0 10.00 4.93 58.32) = 41.494% kept HB3 LYS+ 17 - QD1 ILE 24 14.286% * 1.2176% (0.45 1.0 1.00 0.90 3.63) = 1.218% kept HG2 ARG+ 53 - QD1 ILE 24 14.286% * 0.0524% (0.87 1.0 1.00 0.02 0.22) = 0.052% HG LEU 42 - QD1 ILE 24 14.286% * 0.0505% (0.83 1.0 1.00 0.02 1.65) = 0.050% QE MET 10 - QD1 ILE 24 14.286% * 0.0248% (0.41 1.0 1.00 0.02 0.02) = 0.025% HB3 ARG+ 90 - QD1 ILE 24 14.286% * 0.0186% (0.31 1.0 1.00 0.02 0.12) = 0.019% Peak 1097 (1.82, 1.83, 37.30 ppm): 1 diagonal assignment: * HB ILE 24 - HB ILE 24 (0.91) kept Peak 1101 (3.42, 3.43, 57.41 ppm): 1 diagonal assignment: * HA ILE 24 - HA ILE 24 (0.89) kept Peak 1102 (3.42, 0.34, 52.55 ppm): 5 chemical-shift based assignments, quality = 0.893, support = 6.65, residual support = 125.5: * T HA ILE 24 - QD1 ILE 24 20.000% * 99.7755% (0.89 10.00 6.67 125.79) = 99.775% kept HD2 ARG+ 90 - QD1 ILE 24 20.000% * 0.1113% (1.00 1.00 0.02 0.12) = 0.111% HB2 TRP 50 - QD1 ILE 24 20.000% * 0.0542% (0.49 1.00 0.02 0.02) = 0.054% QD ARG+ 53 - QD1 ILE 24 20.000% * 0.0343% (0.31 1.00 0.02 0.22) = 0.034% HB2 TRP 67 - QD1 ILE 24 20.000% * 0.0248% (0.22 1.00 0.02 0.02) = 0.025% Peak 1109 (1.20, 1.20, 58.70 ppm): 1 diagonal assignment: * QE MET 54 - QE MET 54 (0.84) kept Peak 1110 (1.83, 1.84, 58.70 ppm): 1 diagonal assignment: * QE MET 10 - QE MET 10 (0.87) kept Peak 1119 (4.00, 4.01, 45.50 ppm): 1 diagonal assignment: * HA1 GLY 5 - HA1 GLY 5 (0.89) kept Peak 1126 (5.43, 4.50, 60.59 ppm): 2 chemical-shift based assignments, quality = 0.804, support = 0.02, residual support = 0.02: HA MET 54 - HA VAL 7 50.000% * 55.2583% (0.88 0.02 0.02) = 55.258% kept HA THR 51 - HA VAL 7 50.000% * 44.7417% (0.71 0.02 0.02) = 44.742% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1139 (2.64, 2.65, 32.48 ppm): 1 diagonal assignment: * HG2 MET 10 - HG2 MET 10 (0.89) kept Peak 1215 (3.84, 3.85, 46.35 ppm): 1 diagonal assignment: * HA2 GLY 27 - HA2 GLY 27 (0.89) kept Peak 1302 (6.82, 4.73, 56.48 ppm): 2 chemical-shift based assignments, quality = 0.893, support = 0.182, residual support = 0.184: HE22 GLN 83 - HA ARG+ 53 50.000% * 94.4152% (0.91 0.19 0.17) = 94.415% kept HE22 GLN 83 - HA LYS+ 20 50.000% * 5.5848% (0.52 0.02 0.36) = 5.585% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1306 (3.40, 3.40, 43.49 ppm): 2 diagonal assignments: * QD ARG+ 53 - QD ARG+ 53 (1.00) kept HD2 ARG+ 90 - HD2 ARG+ 90 (0.03) kept Peak 1475 (8.00, 1.35, 62.26 ppm): 8 chemical-shift based assignments, quality = 0.678, support = 1.21, residual support = 3.76: O HN ALA 34 - QB ALA 34 12.500% * 98.9087% (0.69 10.0 1.22 3.80) = 98.909% kept HN ASP- 44 - QB ALA 34 12.500% * 0.2334% (0.99 1.0 0.02 0.02) = 0.233% HD21 ASN 69 - QB ALA 34 12.500% * 0.2228% (0.94 1.0 0.02 0.02) = 0.223% HN LEU 26 - QB ALA 34 12.500% * 0.2112% (0.89 1.0 0.02 0.02) = 0.211% HN SER 18 - QB ALA 34 12.500% * 0.2112% (0.89 1.0 0.02 0.02) = 0.211% HN THR 4 - QB ALA 34 12.500% * 0.1428% (0.61 1.0 0.02 0.02) = 0.143% HN PHE 28 - QB ALA 34 12.500% * 0.0363% (0.15 1.0 0.02 0.02) = 0.036% HN ARG+ 48 - QB ALA 34 12.500% * 0.0337% (0.14 1.0 0.02 0.02) = 0.034% Peak 1476 (8.45, 1.35, 62.26 ppm): 5 chemical-shift based assignments, quality = 0.378, support = 1.86, residual support = 1.68: HN PHE 36 - QB ALA 34 20.000% * 95.7991% (0.37 1.94 1.76) = 95.799% kept HN GLU- 23 - QB ALA 34 20.000% * 1.7009% (0.65 0.02 0.02) = 1.701% kept HN THR 91 - QB ALA 34 20.000% * 1.4886% (0.56 0.02 0.02) = 1.489% kept HN GLY 47 - QB ALA 34 20.000% * 0.6556% (0.25 0.02 0.02) = 0.656% HN SER 46 - QB ALA 34 20.000% * 0.3558% (0.14 0.02 0.02) = 0.356% Peak 1477 (4.71, 1.35, 62.26 ppm): 5 chemical-shift based assignments, quality = 0.318, support = 2.34, residual support = 5.53: O HA ALA 34 - QB ALA 34 20.000% * 68.2035% (0.22 10.0 2.13 3.80) = 68.204% kept HA PRO 37 - QB ALA 34 20.000% * 27.1295% (0.56 1.0 3.13 10.81) = 27.130% kept HA LYS+ 20 - QB ALA 34 20.000% * 3.9852% (0.34 1.0 0.76 0.02) = 3.985% kept HA ARG+ 53 - QB ALA 34 20.000% * 0.4593% (0.34 1.0 0.09 0.02) = 0.459% HA HIS 99 - QB ALA 34 20.000% * 0.2225% (0.72 1.0 0.02 0.02) = 0.222% Peak 1478 (3.56, 1.35, 62.26 ppm): 1 chemical-shift based assignment, quality = 0.154, support = 3.47, residual support = 10.8: T HD3 PRO 37 - QB ALA 34 100.000% *100.0000% (0.15 10.00 3.47 10.81) = 100.000% kept Peak 1479 (2.42, 1.35, 62.26 ppm): 4 chemical-shift based assignments, quality = 0.428, support = 2.21, residual support = 9.88: T HB2 PRO 37 - QB ALA 34 25.000% * 90.7300% (0.41 10.00 2.36 10.81) = 90.730% kept HB2 GLN 8 - QB ALA 34 25.000% * 6.7007% (0.69 1.00 0.88 0.97) = 6.701% kept HB3 ASP- 89 - QB ALA 34 25.000% * 2.5143% (0.37 1.00 0.61 0.02) = 2.514% kept HA PHE 70 - QB ALA 34 25.000% * 0.0550% (0.25 1.00 0.02 0.02) = 0.055% Peak 1480 (2.09, 1.35, 62.26 ppm): 7 chemical-shift based assignments, quality = 0.626, support = 1.87, residual support = 9.05: T HB3 PRO 37 - QB ALA 34 14.286% * 83.6735% (0.56 10.00 2.19 10.81) = 83.674% kept T QB ARG+ 88 - QB ALA 34 14.286% * 14.8318% (1.00 10.00 0.20 0.02) = 14.832% kept HG3 GLN 83 - QB ALA 34 14.286% * 1.1085% (0.49 1.00 0.31 0.02) = 1.109% kept HB2 LYS+ 11 - QB ALA 34 14.286% * 0.1364% (0.92 1.00 0.02 0.02) = 0.136% HG2 MET 54 - QB ALA 34 14.286% * 0.1282% (0.87 1.00 0.02 0.63) = 0.128% HB2 GLU- 16 - QB ALA 34 14.286% * 0.0956% (0.65 1.00 0.02 0.02) = 0.096% HB2 MET 1 - QB ALA 34 14.286% * 0.0259% (0.17 1.00 0.02 0.02) = 0.026% Peak 1481 (1.99, 1.35, 62.26 ppm): 5 chemical-shift based assignments, quality = 0.645, support = 0.02, residual support = 0.0343: HB VAL 65 - QB ALA 34 20.000% * 38.3415% (0.92 0.02 0.02) = 38.341% kept HB2 LYS+ 20 - QB ALA 34 20.000% * 23.5151% (0.56 0.02 0.02) = 23.515% kept HB3 GLN 83 - QB ALA 34 20.000% * 23.5151% (0.56 0.02 0.02) = 23.515% kept HB3 MET 1 - QB ALA 34 20.000% * 8.2197% (0.20 0.02 0.02) = 8.220% kept HB3 GLU- 77 - QB ALA 34 20.000% * 6.4086% (0.15 0.02 0.24) = 6.409% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1484 (8.29, 4.32, 52.93 ppm): 3 chemical-shift based assignments, quality = 0.753, support = 1.72, residual support = 10.1: O HN ALA 2 - HA ALA 2 33.333% * 82.6931% (0.88 10.0 1.65 11.47) = 82.693% kept O HN ASP- 3 - HA ALA 2 33.333% * 17.2176% (0.15 10.0 2.06 3.84) = 17.218% kept HN VAL 7 - HA ALA 2 33.333% * 0.0894% (0.78 1.0 0.02 0.61) = 0.089% Peak 1485 (8.31, 1.40, 19.30 ppm): 4 chemical-shift based assignments, quality = 0.784, support = 2.19, residual support = 11.5: O HN ALA 2 - QB ALA 2 25.000% * 99.8402% (0.78 10.0 2.19 11.47) = 99.840% kept HN VAL 7 - QB ALA 2 25.000% * 0.1118% (0.88 1.0 0.02 0.61) = 0.112% HN GLY 5 - QB ALA 2 25.000% * 0.0311% (0.24 1.0 0.02 0.02) = 0.031% HN ILE 24 - QB ALA 2 25.000% * 0.0169% (0.13 1.0 0.02 0.02) = 0.017% Peak 1486 (4.51, 1.40, 19.30 ppm): 8 chemical-shift based assignments, quality = 0.704, support = 3.03, residual support = 5.65: T HA MET 1 - QB ALA 2 12.500% * 98.9000% (0.71 10.00 3.06 5.71) = 98.900% kept T HA LYS+ 60 - QB ALA 2 12.500% * 0.5112% (0.37 10.00 0.02 0.02) = 0.511% T HA ASN 69 - QB ALA 2 12.500% * 0.2385% (0.17 10.00 0.02 0.02) = 0.239% HB2 SER 18 - QB ALA 2 12.500% * 0.1288% (0.93 1.00 0.02 0.02) = 0.129% HA LEU 22 - QB ALA 2 12.500% * 0.0881% (0.63 1.00 0.02 0.02) = 0.088% HA VAL 7 - QB ALA 2 12.500% * 0.0826% (0.59 1.00 0.02 0.61) = 0.083% HA ASN 74 - QB ALA 2 12.500% * 0.0270% (0.19 1.00 0.02 0.02) = 0.027% HA ASN 100 - QB ALA 2 12.500% * 0.0239% (0.17 1.00 0.02 0.02) = 0.024% Peak 1487 (4.80, 1.40, 19.30 ppm): 3 chemical-shift based assignments, quality = 0.701, support = 1.13, residual support = 1.05: HA TYR 81 - QB ALA 2 33.333% * 70.0565% (0.85 1.18 1.25) = 70.057% kept HA TRP 50 - QB ALA 2 33.333% * 26.5224% (0.33 1.14 0.68) = 26.522% kept HA THR 64 - QB ALA 2 33.333% * 3.4210% (0.48 0.10 0.02) = 3.421% kept Peak 1488 (4.80, 4.35, 61.61 ppm): 3 chemical-shift based assignments, quality = 0.672, support = 1.97, residual support = 2.9: HA TYR 81 - HA THR 4 33.333% * 60.2878% (0.85 2.21 3.91) = 60.288% kept HA TRP 50 - HA THR 4 33.333% * 21.0567% (0.33 1.96 1.73) = 21.057% kept HA THR 64 - HA THR 4 33.333% * 18.6555% (0.48 1.22 0.98) = 18.655% kept Peak 1489 (8.00, 4.35, 61.61 ppm): 6 chemical-shift based assignments, quality = 0.707, support = 3.5, residual support = 21.8: O HN THR 4 - HA THR 4 16.667% * 99.3766% (0.71 10.0 3.52 21.94) = 99.377% kept HN ASP- 44 - HA THR 4 16.667% * 0.1366% (0.98 1.0 0.02 0.02) = 0.137% HD21 ASN 69 - HA THR 4 16.667% * 0.1356% (0.97 1.0 0.02 0.02) = 0.136% HN SER 18 - HA THR 4 16.667% * 0.1321% (0.95 1.0 0.02 0.02) = 0.132% HN ALA 34 - HA THR 4 16.667% * 0.1096% (0.78 1.0 0.02 0.02) = 0.110% HN LEU 26 - HA THR 4 16.667% * 0.1096% (0.78 1.0 0.02 0.02) = 0.110% Peak 1490 (8.34, 4.35, 61.61 ppm): 3 chemical-shift based assignments, quality = 0.976, support = 3.56, residual support = 14.3: O HN GLY 5 - HA THR 4 33.333% * 95.6856% (0.98 10.0 3.70 14.98) = 95.686% kept HN ILE 24 - HA THR 4 33.333% * 3.0364% (0.93 1.0 0.67 0.02) = 3.036% kept HN LYS+ 20 - HA THR 4 33.333% * 1.2780% (0.78 1.0 0.33 0.28) = 1.278% kept Peak 1491 (4.80, 4.34, 28.59 ppm): 3 chemical-shift based assignments, quality = 0.726, support = 2.11, residual support = 2.95: HA TYR 81 - HB THR 4 33.333% * 60.6468% (0.93 2.30 3.91) = 60.647% kept HA TRP 50 - HB THR 4 33.333% * 25.8207% (0.44 2.07 1.73) = 25.821% kept HA THR 64 - HB THR 4 33.333% * 13.5326% (0.37 1.29 0.98) = 13.533% kept Peak 1492 (4.71, 4.34, 28.59 ppm): 5 chemical-shift based assignments, quality = 0.525, support = 0.352, residual support = 0.205: HA ARG+ 53 - HB THR 4 20.000% * 38.3801% (0.55 0.40 0.28) = 38.380% kept HA LYS+ 20 - HB THR 4 20.000% * 32.0906% (0.55 0.33 0.28) = 32.091% kept HA ALA 34 - HB THR 4 20.000% * 25.2332% (0.40 0.36 0.02) = 25.233% kept HA HIS 99 - HB THR 4 20.000% * 3.1370% (0.90 0.02 0.02) = 3.137% kept HA PRO 37 - HB THR 4 20.000% * 1.1592% (0.33 0.02 0.02) = 1.159% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1493 (8.00, 4.34, 28.59 ppm): 8 chemical-shift based assignments, quality = 0.511, support = 3.42, residual support = 21.2: O HN THR 4 - HB THR 4 12.500% * 96.6141% (0.52 10.0 3.53 21.94) = 96.614% kept HN ALA 34 - HB THR 4 12.500% * 2.0667% (0.59 1.0 0.37 0.02) = 2.067% kept HN PHE 28 - HB THR 4 12.500% * 0.6210% (0.19 1.0 0.34 0.02) = 0.621% HN ASP- 44 - HB THR 4 12.500% * 0.1772% (0.95 1.0 0.02 0.02) = 0.177% HN LEU 26 - HB THR 4 12.500% * 0.1737% (0.93 1.0 0.02 0.02) = 0.174% HD21 ASN 69 - HB THR 4 12.500% * 0.1647% (0.88 1.0 0.02 0.02) = 0.165% HN SER 18 - HB THR 4 12.500% * 0.1534% (0.82 1.0 0.02 0.02) = 0.153% HN ARG+ 48 - HB THR 4 12.500% * 0.0292% (0.16 1.0 0.02 0.02) = 0.029% Peak 1496 (8.34, 4.34, 28.59 ppm): 3 chemical-shift based assignments, quality = 0.897, support = 3.18, residual support = 11.9: HN GLY 5 - HB THR 4 33.333% * 79.4486% (0.88 3.89 14.98) = 79.449% kept HN LYS+ 20 - HB THR 4 33.333% * 12.0932% (0.96 0.54 0.28) = 12.093% kept HN ILE 24 - HB THR 4 33.333% * 8.4582% (0.97 0.37 0.02) = 8.458% kept Peak 1497 (8.27, 4.34, 28.59 ppm): 1 chemical-shift based assignment, quality = 0.972, support = 1.42, residual support = 7.21: HN ASP- 3 - HB THR 4 100.000% *100.0000% (0.97 1.42 7.21) = 100.000% kept Peak 1499 (4.14, 1.20, 63.23 ppm): 12 chemical-shift based assignments, quality = 0.273, support = 2.17, residual support = 28.6: O T HB THR 39 - QG2 THR 39 8.333% * 92.4007% (0.25 10.0 10.00 2.34 30.99) = 92.401% kept T HB THR 39 - QG2 THR 4 8.333% * 3.4093% (0.94 1.0 10.00 0.02 0.02) = 3.409% kept HA GLU- 16 - QG2 THR 39 8.333% * 1.2814% (0.27 1.0 1.00 0.26 0.02) = 1.281% kept HA ILE 95 - QG2 THR 39 8.333% * 1.0999% (0.27 1.0 1.00 0.23 0.02) = 1.100% kept HA GLU- 16 - QG2 THR 4 8.333% * 0.3596% (0.99 1.0 1.00 0.02 0.11) = 0.360% HA ILE 95 - QG2 THR 4 8.333% * 0.3596% (0.99 1.0 1.00 0.02 0.02) = 0.360% QB SER 19 - QG2 THR 4 8.333% * 0.3478% (0.96 1.0 1.00 0.02 0.02) = 0.348% HA LEU 26 - QG2 THR 4 8.333% * 0.3478% (0.96 1.0 1.00 0.02 0.02) = 0.348% HA GLU- 30 - QG2 THR 4 8.333% * 0.1616% (0.44 1.0 1.00 0.02 0.02) = 0.162% QB SER 19 - QG2 THR 39 8.333% * 0.0943% (0.26 1.0 1.00 0.02 0.02) = 0.094% HA LEU 26 - QG2 THR 39 8.333% * 0.0943% (0.26 1.0 1.00 0.02 0.02) = 0.094% HA GLU- 30 - QG2 THR 39 8.333% * 0.0438% (0.12 1.0 1.00 0.02 0.02) = 0.044% Peak 1500 (4.76, 1.20, 63.23 ppm): 8 chemical-shift based assignments, quality = 0.427, support = 0.891, residual support = 0.663: HA THR 64 - QG2 THR 4 12.500% * 32.7027% (0.41 1.02 0.98) = 32.703% kept HA LYS+ 55 - QG2 THR 4 12.500% * 24.9040% (0.86 0.37 0.22) = 24.904% kept HA THR 64 - QG2 THR 39 12.500% * 16.6684% (0.11 1.91 1.26) = 16.668% kept HA LYS+ 55 - QG2 THR 39 12.500% * 14.2566% (0.23 0.78 0.54) = 14.257% kept HA ALA 34 - QG2 THR 4 12.500% * 6.6299% (0.17 0.48 0.02) = 6.630% kept HA ILE 85 - QG2 THR 39 12.500% * 2.8426% (0.22 0.17 0.02) = 2.843% kept HA ILE 85 - QG2 THR 4 12.500% * 1.2524% (0.79 0.02 0.02) = 1.252% kept HA ALA 34 - QG2 THR 39 12.500% * 0.7433% (0.05 0.20 0.02) = 0.743% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1501 (5.26, 1.20, 63.23 ppm): 10 chemical-shift based assignments, quality = 0.27, support = 3.17, residual support = 28.2: O T HA THR 39 - QG2 THR 39 10.000% * 90.9357% (0.25 10.0 10.00 3.43 30.99) = 90.936% kept T HA THR 39 - QG2 THR 4 10.000% * 3.3552% (0.94 1.0 10.00 0.02 0.02) = 3.355% kept HA PHE 62 - QG2 THR 39 10.000% * 2.2732% (0.14 1.0 1.00 0.90 0.02) = 2.273% kept HA VAL 52 - QG2 THR 39 10.000% * 1.4079% (0.06 1.0 1.00 1.32 1.14) = 1.408% kept HA ARG+ 90 - QG2 THR 39 10.000% * 1.3560% (0.25 1.0 1.00 0.31 0.85) = 1.356% kept HA ARG+ 90 - QG2 THR 4 10.000% * 0.3274% (0.91 1.0 1.00 0.02 0.02) = 0.327% HA PHE 62 - QG2 THR 4 10.000% * 0.1866% (0.52 1.0 1.00 0.02 0.02) = 0.187% HA VAL 52 - QG2 THR 4 10.000% * 0.0790% (0.22 1.0 1.00 0.02 0.02) = 0.079% HA TYR 93 - QG2 THR 4 10.000% * 0.0621% (0.17 1.0 1.00 0.02 0.02) = 0.062% HA TYR 93 - QG2 THR 39 10.000% * 0.0168% (0.05 1.0 1.00 0.02 0.02) = 0.017% Peak 1502 (7.50, 1.20, 63.23 ppm): 6 chemical-shift based assignments, quality = 0.178, support = 3.67, residual support = 22.4: HN THR 39 - QG2 THR 39 16.667% * 71.3993% (0.15 4.71 30.99) = 71.399% kept HN LYS+ 60 - QG2 THR 39 16.667% * 25.1166% (0.21 1.23 0.99) = 25.117% kept HN LYS+ 60 - QG2 THR 4 16.667% * 1.5095% (0.76 0.02 0.02) = 1.509% kept HN THR 39 - QG2 THR 4 16.667% * 1.1183% (0.56 0.02 0.02) = 1.118% kept HN TYR 31 - QG2 THR 4 16.667% * 0.6738% (0.34 0.02 0.02) = 0.674% HN TYR 31 - QG2 THR 39 16.667% * 0.1826% (0.09 0.02 0.02) = 0.183% Peak 1503 (8.05, 1.20, 63.23 ppm): 8 chemical-shift based assignments, quality = 0.296, support = 3.05, residual support = 3.16: HN MET 54 - QG2 THR 4 12.500% * 60.6737% (0.41 2.85 3.06) = 60.674% kept HN MET 54 - QG2 THR 39 12.500% * 26.7060% (0.11 4.62 4.69) = 26.706% kept HN ARG+ 48 - QG2 THR 39 12.500% * 9.8651% (0.20 0.94 0.50) = 9.865% kept HN ASP- 87 - QG2 THR 4 12.500% * 0.9303% (0.89 0.02 0.02) = 0.930% HN ARG+ 48 - QG2 THR 4 12.500% * 0.7729% (0.74 0.02 0.02) = 0.773% HN PHE 28 - QG2 THR 4 12.500% * 0.6292% (0.60 0.02 0.02) = 0.629% HN ASP- 87 - QG2 THR 39 12.500% * 0.2521% (0.24 0.02 0.02) = 0.252% HN PHE 28 - QG2 THR 39 12.500% * 0.1705% (0.16 0.02 0.02) = 0.171% Peak 1504 (9.14, 1.20, 63.23 ppm): 2 chemical-shift based assignments, quality = 0.0631, support = 3.41, residual support = 17.0: HN VAL 40 - QG2 THR 39 50.000% * 97.9225% (0.06 3.48 17.36) = 97.923% kept HN VAL 40 - QG2 THR 4 50.000% * 2.0775% (0.22 0.02 0.02) = 2.077% kept Peak 1505 (8.21, 4.01, 45.50 ppm): 15 chemical-shift based assignments, quality = 0.912, support = 2.27, residual support = 8.53: O HN GLU- 6 - HA1 GLY 5 6.667% * 99.6890% (0.91 10.0 2.27 8.56) = 99.689% kept HN SER 19 - HA1 GLY 5 6.667% * 0.1070% (0.98 1.0 0.02 0.02) = 0.107% HN ILE 96 - HA1 GLY 5 6.667% * 0.0825% (0.76 1.0 0.02 0.02) = 0.083% HN ILE 38 - HA1 GLY 5 6.667% * 0.0269% (0.25 1.0 0.02 0.02) = 0.027% HN SER 21 - HA1 GLY 5 6.667% * 0.0214% (0.20 1.0 0.02 0.02) = 0.021% HN SER 19 - HA2 GLY 66 6.667% * 0.0205% (0.19 1.0 0.02 0.02) = 0.021% HN GLU- 6 - HA2 GLY 66 6.667% * 0.0191% (0.18 1.0 0.02 0.02) = 0.019% HN ILE 96 - HA2 GLY 66 6.667% * 0.0158% (0.15 1.0 0.02 0.02) = 0.016% HN ILE 38 - HA2 GLY 66 6.667% * 0.0052% (0.05 1.0 0.02 0.02) = 0.005% HN SER 21 - HA2 GLY 66 6.667% * 0.0041% (0.04 1.0 0.02 0.02) = 0.004% HN SER 19 - HA2 GLY 98 6.667% * 0.0027% (0.02 1.0 0.02 0.02) = 0.003% HN GLU- 6 - HA2 GLY 98 6.667% * 0.0025% (0.02 1.0 0.02 0.02) = 0.002% HN ILE 96 - HA2 GLY 98 6.667% * 0.0021% (0.02 1.0 0.02 0.02) = 0.002% HN ILE 38 - HA2 GLY 98 6.667% * 0.0007% (0.01 1.0 0.02 0.02) = 0.001% HN SER 21 - HA2 GLY 98 6.667% * 0.0005% (0.00 1.0 0.02 0.02) = 0.001% Peak 1506 (8.34, 4.01, 45.50 ppm): 9 chemical-shift based assignments, quality = 0.978, support = 2.49, residual support = 7.59: O HN GLY 5 - HA1 GLY 5 11.111% * 98.6274% (0.99 10.0 2.52 7.69) = 98.627% kept HN ILE 24 - HA1 GLY 5 11.111% * 0.8974% (0.94 1.0 0.19 0.02) = 0.897% HN LYS+ 20 - HA1 GLY 5 11.111% * 0.4166% (0.79 1.0 0.11 0.02) = 0.417% HN GLY 5 - HA2 GLY 66 11.111% * 0.0189% (0.19 1.0 0.02 0.02) = 0.019% HN ILE 24 - HA2 GLY 66 11.111% * 0.0179% (0.18 1.0 0.02 0.02) = 0.018% HN LYS+ 20 - HA2 GLY 66 11.111% * 0.0151% (0.15 1.0 0.02 0.02) = 0.015% HN GLY 5 - HA2 GLY 98 11.111% * 0.0025% (0.02 1.0 0.02 0.02) = 0.002% HN ILE 24 - HA2 GLY 98 11.111% * 0.0023% (0.02 1.0 0.02 0.02) = 0.002% HN LYS+ 20 - HA2 GLY 98 11.111% * 0.0020% (0.02 1.0 0.02 0.02) = 0.002% Peak 1507 (8.22, 3.93, 45.50 ppm): 3 chemical-shift based assignments, quality = 0.679, support = 2.44, residual support = 8.54: O HN GLU- 6 - HA2 GLY 5 33.333% * 99.7226% (0.68 10.0 2.44 8.56) = 99.723% kept HN ILE 96 - HA2 GLY 5 33.333% * 0.1401% (0.96 1.0 0.02 0.02) = 0.140% HN SER 19 - HA2 GLY 5 33.333% * 0.1373% (0.94 1.0 0.02 0.02) = 0.137% Peak 1508 (8.34, 3.93, 45.50 ppm): 3 chemical-shift based assignments, quality = 0.981, support = 2.67, residual support = 7.62: O HN GLY 5 - HA2 GLY 5 33.333% * 99.0198% (0.99 10.0 2.69 7.69) = 99.020% kept HN ILE 24 - HA2 GLY 5 33.333% * 0.9010% (0.94 1.0 0.19 0.02) = 0.901% HN LYS+ 20 - HA2 GLY 5 33.333% * 0.0793% (0.79 1.0 0.02 0.02) = 0.079% Peak 1509 (8.31, 4.45, 57.17 ppm): 4 chemical-shift based assignments, quality = 0.721, support = 3.64, residual support = 22.0: O HN VAL 7 - HA GLU- 6 25.000% * 89.8419% (0.75 10.0 3.82 23.90) = 89.842% kept HN GLY 5 - HA GLU- 6 25.000% * 5.9919% (0.37 1.0 2.72 8.56) = 5.992% kept HN ALA 2 - HA GLU- 6 25.000% * 4.1401% (0.63 1.0 1.09 0.23) = 4.140% kept HN ILE 24 - HA GLU- 6 25.000% * 0.0262% (0.22 1.0 0.02 0.02) = 0.026% Peak 1510 (2.15, 3.93, 45.50 ppm): 7 chemical-shift based assignments, quality = 0.832, support = 0.575, residual support = 0.842: QG GLN 8 - HA2 GLY 5 14.286% * 57.8635% (0.89 0.75 1.44) = 57.864% kept HB ILE 85 - HA2 GLY 5 14.286% * 29.6574% (0.89 0.38 0.02) = 29.657% kept HB2 LEU 82 - HA2 GLY 5 14.286% * 7.4746% (0.25 0.35 0.02) = 7.475% kept HB2 ASN 74 - HA2 GLY 5 14.286% * 1.6276% (0.94 0.02 0.02) = 1.628% kept HB3 MET 101 - HA2 GLY 5 14.286% * 1.4924% (0.86 0.02 0.02) = 1.492% kept QB MET 10 - HA2 GLY 5 14.286% * 1.1130% (0.64 0.02 0.02) = 1.113% kept HB2 GLU- 59 - HA2 GLY 5 14.286% * 0.7714% (0.44 0.02 0.02) = 0.771% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1511 (0.96, 4.01, 45.50 ppm): 21 chemical-shift based assignments, quality = 0.822, support = 1.63, residual support = 1.95: T QG2 VAL 52 - HA1 GLY 5 4.762% * 88.8279% (0.83 10.00 1.76 2.18) = 88.828% kept QG2 ILE 14 - HA1 GLY 5 4.762% * 3.1087% (0.99 1.00 0.51 0.02) = 3.109% kept HB3 ARG+ 48 - HA1 GLY 5 4.762% * 2.3665% (0.76 1.00 0.51 0.02) = 2.367% kept QD2 LEU 82 - HA1 GLY 5 4.762% * 2.1684% (0.96 1.00 0.37 0.02) = 2.168% kept QG2 VAL 52 - HA2 GLY 66 4.762% * 1.6492% (0.16 1.00 1.70 0.35) = 1.649% kept HG3 LYS+ 56 - HA1 GLY 5 4.762% * 1.4902% (0.99 1.00 0.25 0.02) = 1.490% kept T HB3 ARG+ 48 - HA2 GLY 66 4.762% * 0.1775% (0.15 10.00 0.02 0.02) = 0.177% QG2 ILE 85 - HA1 GLY 5 4.762% * 0.0590% (0.48 1.00 0.02 0.02) = 0.059% QG2 THR 64 - HA1 GLY 5 4.762% * 0.0302% (0.25 1.00 0.02 0.02) = 0.030% HG3 LYS+ 56 - HA2 GLY 66 4.762% * 0.0232% (0.19 1.00 0.02 0.02) = 0.023% QG2 ILE 14 - HA2 GLY 66 4.762% * 0.0232% (0.19 1.00 0.02 0.02) = 0.023% T HB3 ARG+ 48 - HA2 GLY 98 4.762% * 0.0230% (0.02 10.00 0.02 0.02) = 0.023% QD2 LEU 82 - HA2 GLY 66 4.762% * 0.0224% (0.18 1.00 0.02 0.13) = 0.022% QG2 ILE 85 - HA2 GLY 66 4.762% * 0.0113% (0.09 1.00 0.02 0.02) = 0.011% QG2 THR 64 - HA2 GLY 66 4.762% * 0.0058% (0.05 1.00 0.02 0.02) = 0.006% HG3 LYS+ 56 - HA2 GLY 98 4.762% * 0.0030% (0.02 1.00 0.02 0.02) = 0.003% QG2 ILE 14 - HA2 GLY 98 4.762% * 0.0030% (0.02 1.00 0.02 0.02) = 0.003% QD2 LEU 82 - HA2 GLY 98 4.762% * 0.0029% (0.02 1.00 0.02 0.02) = 0.003% QG2 VAL 52 - HA2 GLY 98 4.762% * 0.0025% (0.02 1.00 0.02 0.02) = 0.003% QG2 ILE 85 - HA2 GLY 98 4.762% * 0.0015% (0.01 1.00 0.02 0.02) = 0.001% QG2 THR 64 - HA2 GLY 98 4.762% * 0.0008% (0.01 1.00 0.02 0.02) = 0.001% Peak 1512 (0.48, 4.45, 57.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1513 (3.20, 4.45, 57.17 ppm): 3 chemical-shift based assignments, quality = 0.802, support = 0.391, residual support = 0.234: HB2 ASN 69 - HA GLU- 6 33.333% * 73.8901% (0.85 0.47 0.31) = 73.890% kept HD3 ARG+ 90 - HA GLU- 6 33.333% * 22.8483% (0.63 0.19 0.02) = 22.848% kept HB3 SER 18 - HA GLU- 6 33.333% * 3.2616% (0.88 0.02 0.02) = 3.262% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1514 (1.37, 0.51, 60.97 ppm): 7 chemical-shift based assignments, quality = 0.862, support = 1.71, residual support = 3.1: HG2 ARG+ 88 - QG2 VAL 7 14.286% * 68.4335% (0.91 2.29 4.46) = 68.434% kept QG LYS+ 55 - QG2 VAL 7 14.286% * 12.6160% (0.86 0.45 0.02) = 12.616% kept HG2 LYS+ 17 - QG2 VAL 7 14.286% * 11.9835% (0.97 0.38 0.02) = 11.984% kept HG LEU 63 - QG2 VAL 7 14.286% * 3.9956% (0.15 0.80 0.61) = 3.996% kept QB ALA 2 - QG2 VAL 7 14.286% * 2.6101% (0.20 0.41 0.61) = 2.610% kept QB ALA 34 - QG2 VAL 7 14.286% * 0.1998% (0.31 0.02 0.02) = 0.200% QG LYS+ 60 - QG2 VAL 7 14.286% * 0.1614% (0.25 0.02 0.02) = 0.161% Peak 1515 (1.13, 0.51, 60.97 ppm): 8 chemical-shift based assignments, quality = 0.815, support = 2.55, residual support = 3.69: T HG3 ARG+ 88 - QG2 VAL 7 12.500% * 64.7356% (0.98 10.00 2.79 4.46) = 64.736% kept T HG13 ILE 95 - QG2 VAL 7 12.500% * 34.3629% (0.52 10.00 2.16 2.35) = 34.363% kept QG2 ILE 38 - QG2 VAL 7 12.500% * 0.7886% (0.83 1.00 0.29 0.02) = 0.789% QG2 VAL 65 - QG2 VAL 7 12.500% * 0.0567% (0.86 1.00 0.02 0.02) = 0.057% HG3 ARG+ 48 - QG2 VAL 7 12.500% * 0.0202% (0.31 1.00 0.02 1.59) = 0.020% HG13 ILE 14 - QG2 VAL 7 12.500% * 0.0145% (0.22 1.00 0.02 2.96) = 0.015% HB3 LEU 43 - QG2 VAL 7 12.500% * 0.0114% (0.17 1.00 0.02 0.02) = 0.011% HG12 ILE 24 - QG2 VAL 7 12.500% * 0.0101% (0.15 1.00 0.02 1.05) = 0.010% Peak 1516 (0.97, 6.23, 54.04 ppm): 10 chemical-shift based assignments, quality = 0.741, support = 2.4, residual support = 4.98: QG2 ILE 85 - HA GLN 8 10.000% * 38.7897% (0.93 3.01 5.78) = 38.790% kept QG2 ILE 14 - HA GLN 8 10.000% * 27.3761% (0.71 2.77 6.50) = 27.376% kept HG3 LYS+ 56 - HA GLN 8 10.000% * 15.5884% (0.67 1.67 5.25) = 15.588% kept QD2 LEU 82 - HA GLN 8 10.000% * 8.8400% (0.52 1.24 0.65) = 8.840% kept QG2 VAL 52 - HA GLN 8 10.000% * 6.6832% (0.33 1.44 1.23) = 6.683% kept QG2 THR 64 - HA GLN 8 10.000% * 1.9346% (0.71 0.20 0.02) = 1.935% kept HB3 ARG+ 48 - HA GLN 8 10.000% * 0.4684% (0.27 0.12 0.02) = 0.468% QG1 VAL 40 - HA GLN 8 10.000% * 0.1220% (0.44 0.02 0.02) = 0.122% HG LEU 76 - HA GLN 8 10.000% * 0.1220% (0.44 0.02 0.02) = 0.122% QD1 ILE 38 - HA GLN 8 10.000% * 0.0756% (0.27 0.02 0.02) = 0.076% Peak 1517 (0.97, 2.40, 32.92 ppm): 9 chemical-shift based assignments, quality = 0.812, support = 2.06, residual support = 4.67: QG2 ILE 14 - HB2 GLN 8 11.111% * 34.3374% (0.93 2.85 6.50) = 34.337% kept HG3 LYS+ 56 - HB2 GLN 8 11.111% * 20.7879% (0.90 1.77 5.25) = 20.788% kept QG2 ILE 85 - HB2 GLN 8 11.111% * 19.7369% (0.71 2.13 5.78) = 19.737% kept QD2 LEU 82 - HB2 GLN 8 11.111% * 12.3204% (0.78 1.21 0.65) = 12.320% kept QG2 VAL 52 - HB2 GLN 8 11.111% * 10.5322% (0.59 1.36 1.23) = 10.532% kept QG2 THR 64 - HB2 GLN 8 11.111% * 1.3419% (0.44 0.24 0.02) = 1.342% kept HB3 ARG+ 48 - HB2 GLN 8 11.111% * 0.8298% (0.52 0.12 0.02) = 0.830% QG1 VAL 40 - HB2 GLN 8 11.111% * 0.0567% (0.22 0.02 0.02) = 0.057% HG LEU 76 - HB2 GLN 8 11.111% * 0.0567% (0.22 0.02 0.02) = 0.057% Peak 1518 (2.15, 0.32, 63.55 ppm): 7 chemical-shift based assignments, quality = 0.896, support = 2.93, residual support = 35.0: QG GLN 8 - QG1 VAL 7 14.286% * 61.0993% (0.89 3.91 55.85) = 61.099% kept HB2 ASN 74 - QG1 VAL 7 14.286% * 27.7498% (0.94 1.68 2.94) = 27.750% kept HB ILE 85 - QG1 VAL 7 14.286% * 10.3806% (0.89 0.66 0.32) = 10.381% kept HB3 MET 101 - QG1 VAL 7 14.286% * 0.3021% (0.86 0.02 0.02) = 0.302% QB MET 10 - QG1 VAL 7 14.286% * 0.2253% (0.64 0.02 0.02) = 0.225% HB2 GLU- 59 - QG1 VAL 7 14.286% * 0.1561% (0.44 0.02 0.02) = 0.156% HB2 LEU 82 - QG1 VAL 7 14.286% * 0.0868% (0.25 0.02 0.10) = 0.087% Peak 1519 (2.15, 0.51, 60.97 ppm): 7 chemical-shift based assignments, quality = 0.883, support = 2.85, residual support = 30.5: QG GLN 8 - QG2 VAL 7 14.286% * 53.1160% (0.89 3.97 55.85) = 53.116% kept HB2 ASN 74 - QG2 VAL 7 14.286% * 26.5588% (0.94 1.88 2.94) = 26.559% kept HB ILE 85 - QG2 VAL 7 14.286% * 17.7888% (0.89 1.33 0.32) = 17.789% kept HB2 LEU 82 - QG2 VAL 7 14.286% * 1.3864% (0.25 0.37 0.10) = 1.386% kept QB MET 10 - QG2 VAL 7 14.286% * 0.7569% (0.64 0.08 0.02) = 0.757% HB3 MET 101 - QG2 VAL 7 14.286% * 0.2591% (0.86 0.02 0.02) = 0.259% HB2 GLU- 59 - QG2 VAL 7 14.286% * 0.1339% (0.44 0.02 0.02) = 0.134% Peak 1520 (2.79, 0.51, 60.97 ppm): 5 chemical-shift based assignments, quality = 0.858, support = 0.589, residual support = 1.4: HB2 TYR 81 - QG2 VAL 7 20.000% * 57.0534% (0.86 0.75 2.36) = 57.053% kept HB2 ASP- 73 - QG2 VAL 7 20.000% * 35.8359% (0.98 0.41 0.14) = 35.836% kept HB3 TYR 93 - QG2 VAL 7 20.000% * 5.7830% (0.28 0.24 0.02) = 5.783% kept HB3 PHE 92 - QG2 VAL 7 20.000% * 0.7864% (0.44 0.02 0.02) = 0.786% HB3 PHE 28 - QG2 VAL 7 20.000% * 0.5414% (0.31 0.02 0.02) = 0.541% Peak 1521 (3.00, 0.51, 60.97 ppm): 6 chemical-shift based assignments, quality = 0.469, support = 0.982, residual support = 2.41: HA ARG+ 88 - QG2 VAL 7 16.667% * 53.5692% (0.20 1.74 4.46) = 53.569% kept QE LYS+ 72 - QG2 VAL 7 16.667% * 19.3635% (0.89 0.14 0.10) = 19.364% kept HB2 TYR 97 - QG2 VAL 7 16.667% * 12.8677% (0.79 0.10 0.02) = 12.868% kept HB3 ASN 69 - QG2 VAL 7 16.667% * 8.7014% (0.48 0.11 0.02) = 8.701% kept QE LYS+ 20 - QG2 VAL 7 16.667% * 2.7949% (0.89 0.02 0.02) = 2.795% kept QE LYS+ 11 - QG2 VAL 7 16.667% * 2.7033% (0.86 0.02 0.02) = 2.703% kept Peak 1522 (3.16, 0.51, 60.97 ppm): 6 chemical-shift based assignments, quality = 0.626, support = 1.92, residual support = 7.08: HB3 TYR 86 - QG2 VAL 7 16.667% * 44.5058% (0.68 2.87 11.88) = 44.506% kept HD3 ARG+ 90 - QG2 VAL 7 16.667% * 16.3366% (0.41 1.76 9.05) = 16.337% kept QB HIS 99 - QG2 VAL 7 16.667% * 15.5486% (0.86 0.79 0.39) = 15.549% kept HD2 ARG+ 48 - QG2 VAL 7 16.667% * 13.4070% (0.56 1.05 1.59) = 13.407% kept HB2 PHE 13 - QG2 VAL 7 16.667% * 9.7899% (0.48 0.89 0.39) = 9.790% kept HB3 SER 18 - QG2 VAL 7 16.667% * 0.4122% (0.20 0.09 0.02) = 0.412% Peak 1523 (3.16, 0.32, 63.55 ppm): 6 chemical-shift based assignments, quality = 0.598, support = 1.54, residual support = 5.23: HB3 TYR 86 - QG1 VAL 7 16.667% * 25.5053% (0.68 1.58 11.88) = 25.505% kept HD2 ARG+ 48 - QG1 VAL 7 16.667% * 23.8985% (0.56 1.80 1.59) = 23.898% kept HD3 ARG+ 90 - QG1 VAL 7 16.667% * 18.7174% (0.41 1.94 9.05) = 18.717% kept QB HIS 99 - QG1 VAL 7 16.667% * 16.1403% (0.86 0.79 0.39) = 16.140% kept HB2 PHE 13 - QG1 VAL 7 16.667% * 15.6457% (0.48 1.37 0.39) = 15.646% kept HB3 SER 18 - QG1 VAL 7 16.667% * 0.0928% (0.20 0.02 0.02) = 0.093% Peak 1524 (0.94, 2.21, 36.69 ppm): 6 chemical-shift based assignments, quality = 0.507, support = 1.52, residual support = 1.67: T QG2 ILE 14 - QG GLU- 6 16.667% * 49.7135% (0.33 10.00 1.10 0.85) = 49.713% kept QG2 VAL 52 - QG GLU- 6 16.667% * 26.0357% (0.71 1.00 2.71 4.42) = 26.036% kept HB3 ARG+ 48 - QG GLU- 6 16.667% * 13.9266% (0.78 1.00 1.32 0.63) = 13.927% kept QD2 LEU 82 - QG GLU- 6 16.667% * 6.8238% (0.52 1.00 0.98 0.12) = 6.824% kept HG3 LYS+ 56 - QG GLU- 6 16.667% * 3.0054% (0.37 1.00 0.61 0.02) = 3.005% kept QD1 LEU 26 - QG GLU- 6 16.667% * 0.4950% (0.44 1.00 0.08 0.02) = 0.495% Peak 1525 (0.94, 1.93, 30.93 ppm): 6 chemical-shift based assignments, quality = 0.645, support = 1.73, residual support = 2.42: QG2 VAL 52 - QB GLU- 6 16.667% * 48.8817% (0.71 2.51 4.42) = 48.882% kept HB3 ARG+ 48 - QB GLU- 6 16.667% * 23.8374% (0.78 1.11 0.63) = 23.837% kept QG2 ILE 14 - QB GLU- 6 16.667% * 11.8875% (0.33 1.30 0.85) = 11.888% kept QD2 LEU 82 - QB GLU- 6 16.667% * 8.8407% (0.52 0.63 0.12) = 8.841% kept HG3 LYS+ 56 - QB GLU- 6 16.667% * 5.5475% (0.37 0.55 0.02) = 5.547% kept QD1 LEU 26 - QB GLU- 6 16.667% * 1.0052% (0.44 0.08 0.02) = 1.005% kept Peak 1526 (8.21, 1.93, 30.93 ppm): 5 chemical-shift based assignments, quality = 0.9, support = 3.88, residual support = 34.0: O HN GLU- 6 - QB GLU- 6 20.000% * 99.4207% (0.90 10.0 3.90 34.17) = 99.421% kept HN ILE 96 - QB GLU- 6 20.000% * 0.4244% (0.75 1.0 0.10 0.02) = 0.424% HN SER 19 - QB GLU- 6 20.000% * 0.1067% (0.97 1.0 0.02 0.02) = 0.107% HN ILE 38 - QB GLU- 6 20.000% * 0.0269% (0.24 1.0 0.02 1.16) = 0.027% HN SER 21 - QB GLU- 6 20.000% * 0.0213% (0.19 1.0 0.02 0.02) = 0.021% Peak 1527 (8.29, 1.93, 30.93 ppm): 3 chemical-shift based assignments, quality = 0.569, support = 3.41, residual support = 20.1: HN VAL 7 - QB GLU- 6 33.333% * 84.0715% (0.55 3.95 23.90) = 84.071% kept HN ALA 2 - QB GLU- 6 33.333% * 14.6526% (0.67 0.57 0.23) = 14.653% kept HN ASP- 3 - QB GLU- 6 33.333% * 1.2759% (0.30 0.11 0.02) = 1.276% kept Peak 1528 (8.22, 2.21, 36.69 ppm): 3 chemical-shift based assignments, quality = 0.679, support = 3.56, residual support = 32.7: HN GLU- 6 - QG GLU- 6 33.333% * 95.5698% (0.67 3.72 34.17) = 95.570% kept HN ILE 96 - QG GLU- 6 33.333% * 3.7226% (0.95 0.10 0.02) = 3.723% kept HN SER 19 - QG GLU- 6 33.333% * 0.7076% (0.93 0.02 0.02) = 0.708% Peak 1529 (8.30, 2.21, 36.69 ppm): 2 chemical-shift based assignments, quality = 0.963, support = 4.46, residual support = 21.2: HN VAL 7 - QG GLU- 6 50.000% * 88.7885% (0.96 4.95 23.90) = 88.788% kept HN ALA 2 - QG GLU- 6 50.000% * 11.2115% (0.98 0.61 0.23) = 11.212% kept Peak 1530 (8.31, 4.50, 60.59 ppm): 3 chemical-shift based assignments, quality = 0.932, support = 4.79, residual support = 74.2: O HN VAL 7 - HA VAL 7 33.333% * 92.9276% (0.95 10.0 5.05 79.82) = 92.928% kept HN ALA 2 - HA VAL 7 33.333% * 5.8051% (0.88 1.0 1.34 0.61) = 5.805% kept HN GLY 5 - HA VAL 7 33.333% * 1.2673% (0.17 1.0 1.50 0.46) = 1.267% kept Peak 1531 (8.66, 4.50, 60.59 ppm): 1 chemical-shift based assignment, quality = 0.477, support = 5.33, residual support = 55.9: O HN GLN 8 - HA VAL 7 100.000% *100.0000% (0.48 10.0 5.33 55.85) = 100.000% kept Peak 1532 (6.99, 1.89, 34.23 ppm): 4 chemical-shift based assignments, quality = 0.794, support = 2.06, residual support = 8.27: HE ARG+ 90 - HB VAL 7 25.000% * 84.7939% (0.88 2.25 9.05) = 84.794% kept HN PHE 70 - HB VAL 7 25.000% * 14.5584% (0.33 1.02 4.11) = 14.558% kept HE ARG+ 90 - QB LYS+ 80 25.000% * 0.4692% (0.55 0.02 0.02) = 0.469% HN PHE 70 - QB LYS+ 80 25.000% * 0.1785% (0.21 0.02 0.02) = 0.178% Peak 1533 (8.30, 1.89, 34.23 ppm): 4 chemical-shift based assignments, quality = 0.955, support = 4.78, residual support = 74.5: O HN VAL 7 - HB VAL 7 25.000% * 93.2533% (0.96 10.0 5.05 79.82) = 93.253% kept HN ALA 2 - HB VAL 7 25.000% * 5.9991% (0.98 1.0 1.26 0.61) = 5.999% kept HN VAL 7 - QB LYS+ 80 25.000% * 0.6884% (0.60 1.0 0.24 0.11) = 0.688% HN ALA 2 - QB LYS+ 80 25.000% * 0.0592% (0.61 1.0 0.02 0.02) = 0.059% Peak 1534 (8.66, 1.89, 34.23 ppm): 2 chemical-shift based assignments, quality = 0.476, support = 5.32, residual support = 55.7: HN GLN 8 - HB VAL 7 50.000% * 99.7669% (0.48 5.33 55.85) = 99.767% kept HN GLN 8 - QB LYS+ 80 50.000% * 0.2331% (0.30 0.02 0.02) = 0.233% Peak 1535 (4.79, 0.32, 63.55 ppm): 2 chemical-shift based assignments, quality = 0.778, support = 1.81, residual support = 2.78: HA THR 64 - QG1 VAL 7 50.000% * 75.0233% (0.89 1.98 2.92) = 75.023% kept HA TYR 81 - QG1 VAL 7 50.000% * 24.9767% (0.44 1.32 2.36) = 24.977% kept Peak 1536 (4.80, 0.51, 60.97 ppm): 3 chemical-shift based assignments, quality = 0.788, support = 2.03, residual support = 2.17: HA TYR 81 - QG2 VAL 7 33.333% * 71.5462% (0.94 2.40 2.36) = 71.546% kept HA TRP 50 - QG2 VAL 7 33.333% * 15.7992% (0.44 1.12 0.70) = 15.799% kept HA THR 64 - QG2 VAL 7 33.333% * 12.6547% (0.37 1.07 2.92) = 12.655% kept Peak 1537 (6.38, 0.51, 60.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1538 (6.72, 0.51, 60.97 ppm): 2 chemical-shift based assignments, quality = 0.64, support = 1.54, residual support = 2.25: HN ASN 74 - QG2 VAL 7 50.000% * 66.5727% (0.72 1.68 2.94) = 66.573% kept HD22 ASN 75 - QG2 VAL 7 50.000% * 33.4273% (0.48 1.26 0.88) = 33.427% kept Peak 1539 (7.01, 0.51, 60.97 ppm): 1 chemical-shift based assignment, quality = 0.407, support = 3.1, residual support = 9.05: HE ARG+ 90 - QG2 VAL 7 100.000% *100.0000% (0.41 3.10 9.05) = 100.000% kept Peak 1540 (7.21, 0.51, 60.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1541 (8.31, 0.51, 60.97 ppm): 4 chemical-shift based assignments, quality = 0.684, support = 4.53, residual support = 59.3: HN VAL 7 - QG2 VAL 7 25.000% * 74.1349% (0.76 5.60 79.82) = 74.135% kept HN GLY 5 - QG2 VAL 7 25.000% * 12.9280% (0.37 1.99 0.46) = 12.928% kept HN ALA 2 - QG2 VAL 7 25.000% * 10.7827% (0.64 0.96 0.61) = 10.783% kept HN ILE 24 - QG2 VAL 7 25.000% * 2.1545% (0.22 0.56 1.05) = 2.154% kept Peak 1542 (8.66, 0.51, 60.97 ppm): 1 chemical-shift based assignment, quality = 0.482, support = 5.56, residual support = 55.9: HN GLN 8 - QG2 VAL 7 100.000% *100.0000% (0.48 5.56 55.85) = 100.000% kept Peak 1543 (6.38, 0.32, 63.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1544 (6.72, 0.32, 63.55 ppm): 2 chemical-shift based assignments, quality = 0.636, support = 1.39, residual support = 2.21: HN ASN 74 - QG1 VAL 7 50.000% * 64.5230% (0.72 1.48 2.94) = 64.523% kept HD22 ASN 75 - QG1 VAL 7 50.000% * 35.4770% (0.48 1.22 0.88) = 35.477% kept Peak 1545 (7.01, 0.32, 63.55 ppm): 1 chemical-shift based assignment, quality = 0.407, support = 3.43, residual support = 9.05: HE ARG+ 90 - QG1 VAL 7 100.000% *100.0000% (0.41 3.43 9.05) = 100.000% kept Peak 1546 (7.21, 0.32, 63.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1547 (8.31, 0.32, 63.55 ppm): 4 chemical-shift based assignments, quality = 0.676, support = 4.49, residual support = 58.4: HN VAL 7 - QG1 VAL 7 25.000% * 72.8998% (0.76 5.62 79.82) = 72.900% kept HN GLY 5 - QG1 VAL 7 25.000% * 12.9146% (0.37 2.03 0.46) = 12.915% kept HN ALA 2 - QG1 VAL 7 25.000% * 10.6800% (0.64 0.97 0.61) = 10.680% kept HN ILE 24 - QG1 VAL 7 25.000% * 3.5056% (0.22 0.93 1.05) = 3.506% kept Peak 1548 (8.66, 0.32, 63.55 ppm): 1 chemical-shift based assignment, quality = 0.482, support = 5.57, residual support = 55.9: HN GLN 8 - QG1 VAL 7 100.000% *100.0000% (0.48 5.57 55.85) = 100.000% kept Peak 1549 (8.65, 6.23, 54.04 ppm): 1 chemical-shift based assignment, quality = 0.749, support = 5.22, residual support = 84.0: O HN GLN 8 - HA GLN 8 100.000% *100.0000% (0.75 10.0 5.22 84.04) = 100.000% kept Peak 1550 (8.66, 2.40, 32.92 ppm): 1 chemical-shift based assignment, quality = 0.477, support = 5.55, residual support = 84.0: O HN GLN 8 - HB2 GLN 8 100.000% *100.0000% (0.48 10.0 5.55 84.04) = 100.000% kept Peak 1551 (7.47, 2.40, 32.92 ppm): 7 chemical-shift based assignments, quality = 0.568, support = 2.8, residual support = 55.6: HE21 GLN 8 - HB2 GLN 8 14.286% * 66.1612% (0.52 3.95 84.04) = 66.161% kept HN TYR 31 - HB2 GLN 8 14.286% * 15.7599% (0.90 0.54 0.02) = 15.760% kept HN GLU- 30 - HB2 GLN 8 14.286% * 11.5080% (0.63 0.56 0.02) = 11.508% kept HN VAL 71 - HB2 GLN 8 14.286% * 5.1492% (0.22 0.73 0.02) = 5.149% kept HN LEU 76 - HB2 GLN 8 14.286% * 0.6242% (0.96 0.02 0.02) = 0.624% HN THR 39 - HB2 GLN 8 14.286% * 0.4624% (0.71 0.02 0.02) = 0.462% HN LYS+ 60 - HB2 GLN 8 14.286% * 0.3350% (0.52 0.02 0.02) = 0.335% Peak 1552 (4.74, 2.40, 32.92 ppm): 6 chemical-shift based assignments, quality = 0.774, support = 0.895, residual support = 1.29: HA ALA 34 - HB2 GLN 8 16.667% * 41.6103% (0.88 1.33 0.97) = 41.610% kept HA ARG+ 53 - HB2 GLN 8 16.667% * 19.3975% (0.75 0.73 0.97) = 19.398% kept HA LYS+ 20 - HB2 GLN 8 16.667% * 17.0015% (0.75 0.64 0.29) = 17.002% kept HA ILE 85 - HB2 GLN 8 16.667% * 11.1750% (0.75 0.42 5.78) = 11.175% kept HA HIS 99 - HB2 GLN 8 16.667% * 6.9100% (0.37 0.53 0.02) = 6.910% kept HA LYS+ 55 - HB2 GLN 8 16.667% * 3.9056% (0.67 0.16 0.02) = 3.906% kept Peak 1553 (4.72, 6.23, 54.04 ppm): 5 chemical-shift based assignments, quality = 0.792, support = 0.865, residual support = 0.707: HA ARG+ 53 - HA GLN 8 20.000% * 35.3842% (0.82 1.02 0.97) = 35.384% kept HA ALA 34 - HA GLN 8 20.000% * 30.1112% (0.67 1.06 0.97) = 30.111% kept HA LYS+ 20 - HA GLN 8 20.000% * 23.0804% (0.82 0.67 0.29) = 23.080% kept HA HIS 99 - HA GLN 8 20.000% * 11.2963% (0.98 0.27 0.02) = 11.296% kept HA PRO 37 - HA GLN 8 20.000% * 0.1279% (0.15 0.02 0.02) = 0.128% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1554 (8.56, 6.23, 54.04 ppm): 3 chemical-shift based assignments, quality = 0.915, support = 3.24, residual support = 11.4: O HN PHE 9 - HA GLN 8 33.333% * 87.1158% (0.93 10.0 3.48 12.72) = 87.116% kept HN ASP- 73 - HA GLN 8 33.333% * 6.6134% (0.82 1.0 1.72 1.56) = 6.613% kept HN VAL 94 - HA GLN 8 33.333% * 6.2708% (0.85 1.0 1.57 3.98) = 6.271% kept Peak 1555 (7.47, 2.26, 32.92 ppm): 16 chemical-shift based assignments, quality = 0.764, support = 2.99, residual support = 58.3: HE21 GLN 8 - HB3 GLN 8 6.250% * 69.3728% (0.75 4.09 84.04) = 69.373% kept HN GLU- 30 - HB3 GLN 8 6.250% * 10.7949% (0.85 0.56 0.02) = 10.795% kept HN TYR 31 - HB3 GLN 8 6.250% * 9.9459% (0.71 0.62 0.02) = 9.946% kept HN LEU 76 - HB3 GLN 8 6.250% * 8.0226% (0.96 0.37 0.02) = 8.023% kept HN VAL 71 - HB3 GLN 8 6.250% * 1.2281% (0.40 0.13 0.02) = 1.228% kept HN THR 39 - HB3 GLN 8 6.250% * 0.2161% (0.48 0.02 0.02) = 0.216% HN LYS+ 60 - HB3 GLN 8 6.250% * 0.1370% (0.30 0.02 0.02) = 0.137% HD21 ASN 75 - HB3 GLN 8 6.250% * 0.0778% (0.17 0.02 0.02) = 0.078% HN LEU 76 - HG2 GLN 83 6.250% * 0.0425% (0.09 0.02 0.02) = 0.043% HN GLU- 30 - HG2 GLN 83 6.250% * 0.0376% (0.08 0.02 0.02) = 0.038% HE21 GLN 8 - HG2 GLN 83 6.250% * 0.0332% (0.07 0.02 0.02) = 0.033% HN TYR 31 - HG2 GLN 83 6.250% * 0.0315% (0.07 0.02 0.02) = 0.032% HN THR 39 - HG2 GLN 83 6.250% * 0.0211% (0.05 0.02 0.02) = 0.021% HN VAL 71 - HG2 GLN 83 6.250% * 0.0178% (0.04 0.02 0.02) = 0.018% HN LYS+ 60 - HG2 GLN 83 6.250% * 0.0134% (0.03 0.02 0.02) = 0.013% HD21 ASN 75 - HG2 GLN 83 6.250% * 0.0076% (0.02 0.02 0.02) = 0.008% Peak 1556 (8.66, 2.26, 32.92 ppm): 4 chemical-shift based assignments, quality = 0.244, support = 5.53, residual support = 83.9: O HN GLN 8 - HB3 GLN 8 25.000% * 99.8806% (0.24 10.0 5.54 84.04) = 99.881% kept HN GLY 98 - HB3 GLN 8 25.000% * 0.0999% (0.24 1.0 0.02 0.02) = 0.100% HN GLN 8 - HG2 GLN 83 25.000% * 0.0098% (0.02 1.0 0.02 0.02) = 0.010% HN GLY 98 - HG2 GLN 83 25.000% * 0.0098% (0.02 1.0 0.02 0.02) = 0.010% Peak 1557 (8.57, 2.26, 32.92 ppm): 6 chemical-shift based assignments, quality = 0.645, support = 2.31, residual support = 7.61: HN PHE 9 - HB3 GLN 8 16.667% * 48.5979% (0.59 3.32 12.72) = 48.598% kept HN VAL 94 - HB3 GLN 8 16.667% * 28.8454% (0.97 1.20 3.98) = 28.845% kept HN ASP- 73 - HB3 GLN 8 16.667% * 16.1038% (0.44 1.49 1.56) = 16.104% kept HN VAL 94 - HG2 GLN 83 16.667% * 4.4677% (0.09 1.91 0.40) = 4.468% kept HN PHE 9 - HG2 GLN 83 16.667% * 1.9640% (0.06 1.37 0.62) = 1.964% kept HN ASP- 73 - HG2 GLN 83 16.667% * 0.0212% (0.04 0.02 0.02) = 0.021% Peak 1558 (8.58, 2.15, 34.42 ppm): 3 chemical-shift based assignments, quality = 0.522, support = 2.41, residual support = 7.63: HN PHE 9 - QG GLN 8 33.333% * 45.3208% (0.33 3.61 12.72) = 45.321% kept HN VAL 94 - QG GLN 8 33.333% * 41.7875% (0.82 1.36 3.98) = 41.788% kept HN ASP- 73 - QG GLN 8 33.333% * 12.8917% (0.22 1.57 1.56) = 12.892% kept Peak 1559 (6.11, 5.03, 57.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1561 (8.74, 5.03, 57.41 ppm): 6 chemical-shift based assignments, quality = 0.942, support = 3.44, residual support = 18.0: O HN MET 10 - HA PHE 9 16.667% * 89.3674% (0.96 10.0 3.75 20.08) = 89.367% kept HN GLY 27 - HA PHE 9 16.667% * 4.4347% (0.96 1.0 0.99 0.24) = 4.435% kept HN PHE 13 - HA PHE 9 16.667% * 2.9132% (0.88 1.0 0.71 0.13) = 2.913% kept HN LEU 82 - HA PHE 9 16.667% * 1.6950% (0.44 1.0 0.83 0.02) = 1.695% kept HN THR 64 - HA PHE 9 16.667% * 1.5718% (0.48 1.0 0.71 0.02) = 1.572% kept HN LYS+ 56 - HA PHE 9 16.667% * 0.0180% (0.19 1.0 0.02 0.02) = 0.018% Peak 1562 (6.11, 3.10, 41.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1563 (6.11, 2.96, 41.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1564 (8.74, 2.96, 41.54 ppm): 6 chemical-shift based assignments, quality = 0.915, support = 2.48, residual support = 11.9: HN MET 10 - HB3 PHE 9 16.667% * 59.1454% (0.96 3.51 20.08) = 59.145% kept HN GLY 27 - HB3 PHE 9 16.667% * 18.8946% (0.96 1.12 0.24) = 18.895% kept HN PHE 13 - HB3 PHE 9 16.667% * 15.6789% (0.88 1.02 0.13) = 15.679% kept HN LEU 82 - HB3 PHE 9 16.667% * 4.7809% (0.44 0.62 0.02) = 4.781% kept HN THR 64 - HB3 PHE 9 16.667% * 1.4322% (0.48 0.17 0.02) = 1.432% kept HN LYS+ 56 - HB3 PHE 9 16.667% * 0.0680% (0.19 0.02 0.02) = 0.068% Peak 1565 (8.73, 3.10, 41.54 ppm): 6 chemical-shift based assignments, quality = 0.92, support = 2.34, residual support = 14.0: HN MET 10 - HB2 PHE 9 16.667% * 69.4421% (0.95 3.16 20.08) = 69.442% kept HN GLY 27 - HB2 PHE 9 16.667% * 13.2731% (0.95 0.60 0.24) = 13.273% kept HN PHE 13 - HB2 PHE 9 16.667% * 8.5949% (0.98 0.38 0.13) = 8.595% kept HN LEU 82 - HB2 PHE 9 16.667% * 7.5319% (0.71 0.46 0.02) = 7.532% kept HN THR 64 - HB2 PHE 9 16.667% * 0.9709% (0.24 0.17 0.02) = 0.971% HN LYS+ 56 - HB2 PHE 9 16.667% * 0.1870% (0.40 0.02 0.02) = 0.187% Peak 1566 (5.09, 5.84, 53.84 ppm): 5 chemical-shift based assignments, quality = 0.547, support = 1.07, residual support = 2.25: HA LYS+ 56 - HA MET 10 20.000% * 33.9734% (0.67 1.14 3.71) = 33.973% kept HA1 GLY 66 - HA MET 10 20.000% * 33.9321% (0.55 1.38 2.15) = 33.932% kept HA VAL 40 - HA MET 10 20.000% * 15.2129% (0.52 0.67 1.35) = 15.213% kept HA LYS+ 80 - HA MET 10 20.000% * 9.6674% (0.37 0.59 0.50) = 9.667% kept HA GLN 83 - HA MET 10 20.000% * 7.2141% (0.22 0.75 0.13) = 7.214% kept Peak 1567 (5.07, 2.13, 35.95 ppm): 3 chemical-shift based assignments, quality = 0.932, support = 1.69, residual support = 2.3: HA1 GLY 66 - QB MET 10 33.333% * 50.2222% (0.95 2.19 2.15) = 50.222% kept HA LYS+ 56 - QB MET 10 33.333% * 30.2295% (0.88 1.42 3.71) = 30.230% kept HA LYS+ 80 - QB MET 10 33.333% * 19.5482% (0.98 0.82 0.50) = 19.548% kept Peak 1568 (5.10, 2.60, 32.48 ppm): 10 chemical-shift based assignments, quality = 0.492, support = 1.22, residual support = 2.07: HA VAL 40 - HG3 MET 10 10.000% * 36.6712% (0.79 0.95 1.35) = 36.671% kept HA LYS+ 56 - HG3 MET 10 10.000% * 27.7563% (0.41 1.40 3.71) = 27.756% kept HA1 GLY 66 - HG3 MET 10 10.000% * 22.6803% (0.31 1.53 2.15) = 22.680% kept HA LYS+ 80 - HG3 MET 10 10.000% * 10.5467% (0.17 1.25 0.50) = 10.547% kept HA VAL 40 - HG2 MET 1 10.000% * 0.7148% (0.74 0.02 0.02) = 0.715% HA GLN 83 - HG3 MET 10 10.000% * 0.4315% (0.44 0.02 0.13) = 0.431% HA GLN 83 - HG2 MET 1 10.000% * 0.4002% (0.41 0.02 0.02) = 0.400% HA LYS+ 56 - HG2 MET 1 10.000% * 0.3670% (0.38 0.02 0.02) = 0.367% HA1 GLY 66 - HG2 MET 1 10.000% * 0.2755% (0.28 0.02 0.02) = 0.276% HA LYS+ 80 - HG2 MET 1 10.000% * 0.1563% (0.16 0.02 0.02) = 0.156% Peak 1569 (6.75, 2.60, 32.48 ppm): 2 chemical-shift based assignments, quality = 0.55, support = 1.12, residual support = 3.54: HN ASN 74 - HG3 MET 10 50.000% * 72.2352% (0.56 1.34 4.79) = 72.235% kept HN ASN 74 - HG2 MET 1 50.000% * 27.7648% (0.52 0.55 0.30) = 27.765% kept Peak 1570 (8.77, 2.60, 32.48 ppm): 4 chemical-shift based assignments, quality = 0.715, support = 0.317, residual support = 0.02: HN THR 64 - HG2 MET 1 25.000% * 69.7839% (0.77 0.39 0.02) = 69.784% kept HN ARG+ 53 - HG3 MET 10 25.000% * 23.9217% (0.56 0.18 0.02) = 23.922% kept HN THR 64 - HG3 MET 10 25.000% * 3.8646% (0.83 0.02 0.02) = 3.865% kept HN ARG+ 53 - HG2 MET 1 25.000% * 2.4298% (0.52 0.02 0.02) = 2.430% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1571 (9.48, 2.60, 32.48 ppm): 6 chemical-shift based assignments, quality = 0.792, support = 3.5, residual support = 17.7: HN LYS+ 11 - HG3 MET 10 16.667% * 75.2338% (0.89 4.33 23.30) = 75.234% kept HN TRP 67 - HG3 MET 10 16.667% * 11.4731% (0.52 1.13 0.23) = 11.473% kept HN PHE 92 - HG3 MET 10 16.667% * 6.1550% (0.22 1.43 1.98) = 6.155% kept HN LYS+ 11 - HG2 MET 1 16.667% * 5.6771% (0.82 0.35 0.02) = 5.677% kept HN PHE 92 - HG2 MET 1 16.667% * 1.2719% (0.20 0.32 0.02) = 1.272% kept HN TRP 67 - HG2 MET 1 16.667% * 0.1892% (0.48 0.02 0.02) = 0.189% Peak 1572 (8.75, 2.13, 35.95 ppm): 4 chemical-shift based assignments, quality = 0.566, support = 4.16, residual support = 57.5: O HN MET 10 - QB MET 10 25.000% * 92.3094% (0.55 10.0 4.46 62.24) = 92.309% kept HN THR 64 - QB MET 10 25.000% * 5.1001% (0.93 1.0 0.66 0.02) = 5.100% kept HN PHE 13 - QB MET 10 25.000% * 1.6753% (0.40 1.0 0.50 0.02) = 1.675% kept HN GLY 27 - QB MET 10 25.000% * 0.9151% (0.55 1.0 0.20 0.02) = 0.915% Peak 1573 (9.49, 2.13, 35.95 ppm): 3 chemical-shift based assignments, quality = 0.619, support = 4.07, residual support = 17.7: HN LYS+ 11 - QB MET 10 33.333% * 74.4936% (0.63 5.07 23.30) = 74.494% kept HN PHE 92 - QB MET 10 33.333% * 15.5987% (0.44 1.53 1.98) = 15.599% kept HN TRP 67 - QB MET 10 33.333% * 9.9076% (0.78 0.54 0.23) = 9.908% kept Peak 1574 (8.76, 5.84, 53.84 ppm): 5 chemical-shift based assignments, quality = 0.362, support = 3.62, residual support = 51.9: O HN MET 10 - HA MET 10 20.000% * 83.3747% (0.30 10.0 4.19 62.24) = 83.375% kept HN THR 64 - HA MET 10 20.000% * 9.5078% (0.97 1.0 0.71 0.02) = 9.508% kept HN ARG+ 53 - HA MET 10 20.000% * 4.9548% (0.30 1.0 1.19 0.02) = 4.955% kept HN PHE 13 - HA MET 10 20.000% * 1.3361% (0.19 1.0 0.50 0.02) = 1.336% kept HN GLY 27 - HA MET 10 20.000% * 0.8265% (0.30 1.0 0.20 0.02) = 0.827% Peak 1575 (9.49, 5.84, 53.84 ppm): 3 chemical-shift based assignments, quality = 0.634, support = 3.97, residual support = 20.8: O HN LYS+ 11 - HA MET 10 33.333% * 88.6676% (0.63 10.0 4.31 23.30) = 88.668% kept HN TRP 67 - HA MET 10 33.333% * 6.2490% (0.78 1.0 1.14 0.23) = 6.249% kept HN PHE 92 - HA MET 10 33.333% * 5.0834% (0.44 1.0 1.65 1.98) = 5.083% kept Peak 1576 (2.12, 2.65, 32.48 ppm): 8 chemical-shift based assignments, quality = 0.907, support = 4.27, residual support = 61.1: O QB MET 10 - HG2 MET 10 12.500% * 98.0188% (0.91 10.0 4.35 62.24) = 98.019% kept HB2 ASN 74 - HG2 MET 10 12.500% * 1.6698% (0.60 1.0 0.52 4.79) = 1.670% kept HB2 MET 1 - HG2 MET 10 12.500% * 0.0811% (0.76 1.0 0.02 0.02) = 0.081% HB3 MET 101 - HG2 MET 10 12.500% * 0.0771% (0.72 1.0 0.02 0.02) = 0.077% HB ILE 85 - HG2 MET 10 12.500% * 0.0729% (0.68 1.0 0.02 0.02) = 0.073% HB3 PRO 37 - HG2 MET 10 12.500% * 0.0328% (0.31 1.0 0.02 0.02) = 0.033% HB2 GLU- 16 - HG2 MET 10 12.500% * 0.0265% (0.25 1.0 0.02 0.02) = 0.026% QG GLN 8 - HG2 MET 10 12.500% * 0.0210% (0.20 1.0 0.02 0.19) = 0.021% Peak 1577 (1.84, 2.65, 32.48 ppm): 9 chemical-shift based assignments, quality = 0.932, support = 2.83, residual support = 59.0: O T QE MET 10 - HG2 MET 10 11.111% * 92.4289% (0.97 10.0 10.00 2.88 62.24) = 92.429% kept HB3 LYS+ 11 - HG2 MET 10 11.111% * 6.4786% (0.52 1.0 1.00 2.61 23.30) = 6.479% kept T HD3 PRO 25 - HG2 MET 10 11.111% * 0.7551% (0.79 1.0 10.00 0.02 0.30) = 0.755% HB3 ARG+ 90 - HG2 MET 10 11.111% * 0.0943% (0.99 1.0 1.00 0.02 0.02) = 0.094% HG3 PRO 33 - HG2 MET 10 11.111% * 0.0755% (0.79 1.0 1.00 0.02 0.02) = 0.076% HB3 PRO 33 - HG2 MET 10 11.111% * 0.0572% (0.60 1.0 1.00 0.02 0.02) = 0.057% HB ILE 24 - HG2 MET 10 11.111% * 0.0459% (0.48 1.0 1.00 0.02 0.02) = 0.046% QB MET 54 - HG2 MET 10 11.111% * 0.0354% (0.37 1.0 1.00 0.02 0.26) = 0.035% QB LYS+ 72 - HG2 MET 10 11.111% * 0.0291% (0.31 1.0 1.00 0.02 0.02) = 0.029% Peak 1578 (0.97, 2.26, 32.92 ppm): 18 chemical-shift based assignments, quality = 0.831, support = 2.52, residual support = 5.88: T QG2 ILE 14 - HB3 GLN 8 5.556% * 51.0929% (0.93 10.00 3.10 6.50) = 51.093% kept T QG2 ILE 85 - HB3 GLN 8 5.556% * 38.7637% (0.71 10.00 1.98 5.78) = 38.764% kept HG3 LYS+ 56 - HB3 GLN 8 5.556% * 5.2904% (0.90 1.00 2.12 5.25) = 5.290% kept QD2 LEU 82 - HB3 GLN 8 5.556% * 3.2071% (0.78 1.00 1.48 0.65) = 3.207% kept QG2 VAL 52 - HB3 GLN 8 5.556% * 1.4218% (0.59 1.00 0.87 1.23) = 1.422% kept T QG1 VAL 40 - HB3 GLN 8 5.556% * 0.1202% (0.22 10.00 0.02 0.02) = 0.120% HB3 ARG+ 48 - HB3 GLN 8 5.556% * 0.0284% (0.52 1.00 0.02 0.02) = 0.028% QG2 THR 64 - HB3 GLN 8 5.556% * 0.0242% (0.44 1.00 0.02 0.02) = 0.024% HG LEU 76 - HB3 GLN 8 5.556% * 0.0120% (0.22 1.00 0.02 0.02) = 0.012% T QG1 VAL 40 - HG2 GLN 83 5.556% * 0.0118% (0.02 10.00 0.02 0.20) = 0.012% QG2 ILE 14 - HG2 GLN 83 5.556% * 0.0050% (0.09 1.00 0.02 0.02) = 0.005% HG3 LYS+ 56 - HG2 GLN 83 5.556% * 0.0049% (0.09 1.00 0.02 0.11) = 0.005% QD2 LEU 82 - HG2 GLN 83 5.556% * 0.0042% (0.08 1.00 0.02 15.04) = 0.004% QG2 ILE 85 - HG2 GLN 83 5.556% * 0.0038% (0.07 1.00 0.02 2.05) = 0.004% QG2 VAL 52 - HG2 GLN 83 5.556% * 0.0032% (0.06 1.00 0.02 0.02) = 0.003% HB3 ARG+ 48 - HG2 GLN 83 5.556% * 0.0028% (0.05 1.00 0.02 0.02) = 0.003% QG2 THR 64 - HG2 GLN 83 5.556% * 0.0024% (0.04 1.00 0.02 0.22) = 0.002% HG LEU 76 - HG2 GLN 83 5.556% * 0.0012% (0.02 1.00 0.02 0.02) = 0.001% Peak 1579 (0.96, 2.15, 34.42 ppm): 7 chemical-shift based assignments, quality = 0.88, support = 2.12, residual support = 4.72: T QG2 ILE 14 - QG GLN 8 14.286% * 33.5323% (0.98 10.00 2.45 6.50) = 33.532% kept T HG3 LYS+ 56 - QG GLN 8 14.286% * 27.8758% (0.98 10.00 1.66 5.25) = 27.876% kept T QD2 LEU 82 - QG GLN 8 14.286% * 21.2003% (0.95 10.00 1.31 0.65) = 21.200% kept T QG2 ILE 85 - QG GLN 8 14.286% * 16.3582% (0.48 10.00 3.42 5.78) = 16.358% kept QG2 VAL 52 - QG GLN 8 14.286% * 0.9993% (0.82 1.00 0.71 1.23) = 0.999% HB3 ARG+ 48 - QG GLN 8 14.286% * 0.0257% (0.75 1.00 0.02 0.02) = 0.026% QG2 THR 64 - QG GLN 8 14.286% * 0.0084% (0.24 1.00 0.02 0.02) = 0.008% Peak 1580 (2.15, 5.03, 57.41 ppm): 8 chemical-shift based assignments, quality = 0.734, support = 2.83, residual support = 12.2: QG GLN 8 - HA PHE 9 12.500% * 55.8890% (0.98 3.20 12.72) = 55.889% kept QB MET 10 - HA PHE 9 12.500% * 24.2568% (0.37 3.70 20.08) = 24.257% kept HB ILE 85 - HA PHE 9 12.500% * 7.8154% (0.63 0.69 0.71) = 7.815% kept HB2 LEU 82 - HA PHE 9 12.500% * 5.6165% (0.48 0.66 0.02) = 5.617% kept HB2 PHE 84 - HA PHE 9 12.500% * 4.4078% (0.22 1.13 3.73) = 4.408% kept HB2 ASN 74 - HA PHE 9 12.500% * 1.5491% (0.71 0.12 0.14) = 1.549% kept HB2 GLU- 59 - HA PHE 9 12.500% * 0.2536% (0.71 0.02 0.02) = 0.254% HB3 MET 101 - HA PHE 9 12.500% * 0.2118% (0.59 0.02 0.02) = 0.212% Peak 1582 (1.84, 2.13, 35.95 ppm): 11 chemical-shift based assignments, quality = 0.917, support = 4.28, residual support = 59.6: T QE MET 10 - QB MET 10 9.091% * 93.5361% (0.96 10.00 4.31 62.24) = 93.536% kept HB3 LYS+ 11 - QB MET 10 9.091% * 6.0460% (0.30 1.00 4.11 23.30) = 6.046% kept HD3 PRO 25 - QB MET 10 9.091% * 0.0921% (0.95 1.00 0.02 0.30) = 0.092% HB3 ARG+ 90 - QB MET 10 9.091% * 0.0881% (0.90 1.00 0.02 0.02) = 0.088% HB ILE 24 - QB MET 10 9.091% * 0.0693% (0.71 1.00 0.02 0.02) = 0.069% HG3 PRO 33 - QB MET 10 9.091% * 0.0540% (0.55 1.00 0.02 0.02) = 0.054% HB3 PRO 33 - QB MET 10 9.091% * 0.0358% (0.37 1.00 0.02 0.02) = 0.036% HG2 ARG+ 53 - QB MET 10 9.091% * 0.0238% (0.24 1.00 0.02 0.02) = 0.024% HG LEU 42 - QB MET 10 9.091% * 0.0212% (0.22 1.00 0.02 0.02) = 0.021% QB MET 54 - QB MET 10 9.091% * 0.0189% (0.19 1.00 0.02 0.26) = 0.019% QB LYS+ 72 - QB MET 10 9.091% * 0.0147% (0.15 1.00 0.02 0.02) = 0.015% Peak 1583 (1.84, 2.60, 32.48 ppm): 18 chemical-shift based assignments, quality = 0.894, support = 3.24, residual support = 49.2: O T QE MET 10 - HG3 MET 10 5.556% * 76.2477% (0.97 10.0 10.00 3.85 62.24) = 76.248% kept T QE MET 10 - HG2 MET 1 5.556% * 11.7038% (0.90 1.0 10.00 0.33 0.02) = 11.704% kept HB3 LYS+ 11 - HG3 MET 10 5.556% * 7.3424% (0.52 1.0 1.00 3.59 23.30) = 7.342% kept HG3 PRO 33 - HG2 MET 1 5.556% * 1.3010% (0.74 1.0 1.00 0.45 0.40) = 1.301% kept HB3 ARG+ 90 - HG3 MET 10 5.556% * 0.8826% (0.99 1.0 1.00 0.23 0.02) = 0.883% HB3 PRO 33 - HG2 MET 1 5.556% * 0.7171% (0.56 1.0 1.00 0.33 0.40) = 0.717% HB3 LYS+ 11 - HG2 MET 1 5.556% * 0.6977% (0.48 1.0 1.00 0.37 0.02) = 0.698% HB3 PRO 33 - HG3 MET 10 5.556% * 0.4112% (0.60 1.0 1.00 0.17 0.02) = 0.411% HG3 PRO 33 - HG3 MET 10 5.556% * 0.3288% (0.79 1.0 1.00 0.11 0.02) = 0.329% HB3 ARG+ 90 - HG2 MET 1 5.556% * 0.0722% (0.92 1.0 1.00 0.02 0.02) = 0.072% HD3 PRO 25 - HG3 MET 10 5.556% * 0.0623% (0.79 1.0 1.00 0.02 0.30) = 0.062% HD3 PRO 25 - HG2 MET 1 5.556% * 0.0578% (0.74 1.0 1.00 0.02 0.02) = 0.058% HB ILE 24 - HG3 MET 10 5.556% * 0.0379% (0.48 1.0 1.00 0.02 0.02) = 0.038% HB ILE 24 - HG2 MET 1 5.556% * 0.0351% (0.45 1.0 1.00 0.02 0.02) = 0.035% QB MET 54 - HG3 MET 10 5.556% * 0.0292% (0.37 1.0 1.00 0.02 0.26) = 0.029% QB MET 54 - HG2 MET 1 5.556% * 0.0271% (0.35 1.0 1.00 0.02 0.02) = 0.027% QB LYS+ 72 - HG3 MET 10 5.556% * 0.0240% (0.31 1.0 1.00 0.02 0.02) = 0.024% QB LYS+ 72 - HG2 MET 1 5.556% * 0.0223% (0.28 1.0 1.00 0.02 0.02) = 0.022% Peak 1584 (2.15, 1.84, 58.70 ppm): 7 chemical-shift based assignments, quality = 0.679, support = 3.76, residual support = 52.5: T QB MET 10 - QE MET 10 14.286% * 83.9027% (0.65 10.00 4.31 62.24) = 83.903% kept QG GLN 8 - QE MET 10 14.286% * 7.1341% (0.89 1.00 1.23 0.19) = 7.134% kept HB2 ASN 74 - QE MET 10 14.286% * 5.2136% (0.94 1.00 0.85 4.79) = 5.214% kept HB3 MET 101 - QE MET 10 14.286% * 2.5617% (0.87 1.00 0.46 0.02) = 2.562% kept HB2 LEU 82 - QE MET 10 14.286% * 1.0135% (0.25 1.00 0.63 2.73) = 1.013% kept HB ILE 85 - QE MET 10 14.286% * 0.1163% (0.89 1.00 0.02 0.02) = 0.116% HB2 GLU- 59 - QE MET 10 14.286% * 0.0581% (0.45 1.00 0.02 0.02) = 0.058% Peak 1585 (2.65, 1.84, 58.70 ppm): 6 chemical-shift based assignments, quality = 0.943, support = 2.75, residual support = 58.3: O T HG2 MET 10 - QE MET 10 16.667% * 93.7310% (0.98 10.0 10.00 2.88 62.24) = 93.731% kept HB2 ASP- 41 - QE MET 10 16.667% * 2.7240% (0.52 1.0 1.00 1.08 0.02) = 2.724% kept HB3 ASP- 73 - QE MET 10 16.667% * 2.0016% (0.61 1.0 1.00 0.69 0.22) = 2.002% kept T HD2 PRO 25 - QE MET 10 16.667% * 0.8576% (0.89 1.0 10.00 0.02 0.30) = 0.858% QG MET 101 - QE MET 10 16.667% * 0.6645% (0.96 1.0 1.00 0.14 0.02) = 0.664% HA VAL 71 - QE MET 10 16.667% * 0.0213% (0.22 1.0 1.00 0.02 0.02) = 0.021% Peak 1586 (2.61, 1.84, 58.70 ppm): 6 chemical-shift based assignments, quality = 0.947, support = 3.3, residual support = 52.4: O T HG3 MET 10 - QE MET 10 16.667% * 84.1643% (0.96 10.0 10.00 3.85 62.24) = 84.164% kept T HG2 MET 1 - QE MET 10 16.667% * 13.9274% (0.96 1.0 10.00 0.33 0.02) = 13.927% kept HB2 ASP- 41 - QE MET 10 16.667% * 1.1774% (0.25 1.0 1.00 1.08 0.02) = 1.177% kept T HD3 PRO 35 - QE MET 10 16.667% * 0.5991% (0.69 1.0 10.00 0.02 0.02) = 0.599% HB3 ASN 100 - QE MET 10 16.667% * 0.0825% (0.94 1.0 1.00 0.02 0.02) = 0.082% HA VAL 71 - QE MET 10 16.667% * 0.0494% (0.56 1.0 1.00 0.02 0.02) = 0.049% Peak 1587 (2.83, 1.84, 58.70 ppm): 3 chemical-shift based assignments, quality = 0.488, support = 0.224, residual support = 1.47: HB3 PHE 92 - QE MET 10 33.333% * 73.8391% (0.34 0.30 1.98) = 73.839% kept HB2 TYR 31 - QE MET 10 33.333% * 14.4704% (0.99 0.02 0.02) = 14.470% kept HB2 PHE 28 - QE MET 10 33.333% * 11.6905% (0.80 0.02 0.02) = 11.690% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1588 (5.09, 1.84, 58.70 ppm): 5 chemical-shift based assignments, quality = 0.589, support = 1.31, residual support = 2.11: HA VAL 40 - QE MET 10 20.000% * 29.2793% (0.45 1.86 1.35) = 29.279% kept HA1 GLY 66 - QE MET 10 20.000% * 28.3650% (0.65 1.25 2.15) = 28.365% kept HA LYS+ 56 - QE MET 10 20.000% * 27.9941% (0.76 1.04 3.71) = 27.994% kept HA LYS+ 80 - QE MET 10 20.000% * 13.7467% (0.45 0.87 0.50) = 13.747% kept HA GLN 83 - QE MET 10 20.000% * 0.6148% (0.17 0.10 0.13) = 0.615% Peak 1589 (4.80, 1.84, 58.70 ppm): 3 chemical-shift based assignments, quality = 0.692, support = 0.0973, residual support = 0.113: HA TYR 81 - QE MET 10 33.333% * 82.5829% (0.72 0.11 0.13) = 82.583% kept HA THR 64 - QE MET 10 33.333% * 12.9577% (0.65 0.02 0.02) = 12.958% kept HA TRP 50 - QE MET 10 33.333% * 4.4594% (0.22 0.02 0.02) = 4.459% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1590 (6.76, 1.84, 58.70 ppm): 1 chemical-shift based assignment, quality = 0.308, support = 2.94, residual support = 4.79: HN ASN 74 - QE MET 10 100.000% *100.0000% (0.31 2.94 4.79) = 100.000% kept Peak 1591 (6.91, 1.84, 58.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1592 (3.87, 5.15, 53.84 ppm): 14 chemical-shift based assignments, quality = 0.349, support = 5.4, residual support = 29.1: O T QD PRO 12 - HA LYS+ 11 7.143% * 73.5876% (0.37 10.0 10.00 7.12 39.19) = 73.588% kept T QD PRO 12 - HA LEU 82 7.143% * 21.6304% (0.31 1.0 10.00 0.71 1.33) = 21.630% kept HA VAL 65 - HA LEU 82 7.143% * 1.6765% (0.36 1.0 1.00 0.46 0.02) = 1.677% kept HA VAL 65 - HA LYS+ 11 7.143% * 1.4604% (0.44 1.0 1.00 0.33 0.10) = 1.460% kept HB2 SER 21 - HA LYS+ 11 7.143% * 0.8445% (0.27 1.0 1.00 0.31 0.11) = 0.845% HA MET 101 - HA LYS+ 11 7.143% * 0.1922% (0.96 1.0 1.00 0.02 0.02) = 0.192% HA MET 101 - HA LEU 82 7.143% * 0.1596% (0.80 1.0 1.00 0.02 0.02) = 0.160% HA SER 15 - HA LYS+ 11 7.143% * 0.1110% (0.55 1.0 1.00 0.02 0.02) = 0.111% HA SER 15 - HA LEU 82 7.143% * 0.0922% (0.46 1.0 1.00 0.02 0.48) = 0.092% HA2 GLY 27 - HA LYS+ 11 7.143% * 0.0605% (0.30 1.0 1.00 0.02 0.02) = 0.061% HA2 GLY 27 - HA LEU 82 7.143% * 0.0503% (0.25 1.0 1.00 0.02 0.53) = 0.050% HA GLU- 68 - HA LYS+ 11 7.143% * 0.0489% (0.24 1.0 1.00 0.02 0.02) = 0.049% HB2 SER 21 - HA LEU 82 7.143% * 0.0453% (0.23 1.0 1.00 0.02 0.87) = 0.045% HA GLU- 68 - HA LEU 82 7.143% * 0.0406% (0.20 1.0 1.00 0.02 0.02) = 0.041% Peak 1593 (3.88, 2.08, 37.34 ppm): 6 chemical-shift based assignments, quality = 0.591, support = 4.83, residual support = 33.5: QD PRO 12 - HB2 LYS+ 11 16.667% * 85.3515% (0.59 5.58 39.19) = 85.351% kept HA VAL 65 - HB2 LYS+ 11 16.667% * 9.2022% (0.67 0.53 0.10) = 9.202% kept HB2 SER 21 - HB2 LYS+ 11 16.667% * 3.8614% (0.48 0.31 0.11) = 3.861% kept HA SER 15 - HB2 LYS+ 11 16.667% * 1.0862% (0.33 0.13 0.02) = 1.086% kept HA MET 101 - HB2 LYS+ 11 16.667% * 0.4210% (0.82 0.02 0.02) = 0.421% HA2 GLY 27 - HB2 LYS+ 11 16.667% * 0.0778% (0.15 0.02 0.02) = 0.078% Peak 1594 (3.88, 1.86, 37.34 ppm): 12 chemical-shift based assignments, quality = 0.59, support = 4.76, residual support = 36.1: T QD PRO 12 - HB3 LYS+ 11 8.333% * 92.2235% (0.60 10.00 5.12 39.19) = 92.223% kept HB2 SER 21 - HB3 LYS+ 11 8.333% * 3.2190% (0.48 1.00 0.87 0.11) = 3.219% kept T QD PRO 12 - QB MET 54 8.333% * 2.1612% (0.30 10.00 0.09 0.02) = 2.161% kept HA VAL 65 - HB3 LYS+ 11 8.333% * 2.0030% (0.68 1.00 0.38 0.10) = 2.003% kept HA MET 101 - HB3 LYS+ 11 8.333% * 0.1270% (0.83 1.00 0.02 0.02) = 0.127% HA MET 101 - QB MET 54 8.333% * 0.0637% (0.42 1.00 0.02 0.02) = 0.064% HA VAL 65 - QB MET 54 8.333% * 0.0524% (0.34 1.00 0.02 0.39) = 0.052% HA SER 15 - HB3 LYS+ 11 8.333% * 0.0519% (0.34 1.00 0.02 0.02) = 0.052% HB2 SER 21 - QB MET 54 8.333% * 0.0371% (0.24 1.00 0.02 0.02) = 0.037% HA SER 15 - QB MET 54 8.333% * 0.0260% (0.17 1.00 0.02 0.02) = 0.026% HA2 GLY 27 - HB3 LYS+ 11 8.333% * 0.0235% (0.15 1.00 0.02 0.02) = 0.023% HA2 GLY 27 - QB MET 54 8.333% * 0.0118% (0.08 1.00 0.02 0.02) = 0.012% Peak 1595 (1.25, 2.08, 37.34 ppm): 3 chemical-shift based assignments, quality = 0.753, support = 0.722, residual support = 8.63: HB3 LEU 82 - HB2 LYS+ 11 33.333% * 71.9006% (0.88 0.85 11.78) = 71.901% kept HB3 LYS+ 56 - HB2 LYS+ 11 33.333% * 19.9376% (0.52 0.40 0.76) = 19.938% kept QG1 VAL 65 - HB2 LYS+ 11 33.333% * 8.1619% (0.22 0.39 0.10) = 8.162% kept Peak 1596 (3.89, 3.00, 42.19 ppm): 10 chemical-shift based assignments, quality = 0.824, support = 3.36, residual support = 22.5: QD PRO 12 - QE LYS+ 11 10.000% * 57.2440% (0.85 4.98 39.19) = 57.244% kept QD PRO 12 - QE LYS+ 72 10.000% * 19.9018% (0.86 1.71 0.28) = 19.902% kept HB2 SER 21 - QE LYS+ 72 10.000% * 9.5648% (0.76 0.93 0.15) = 9.565% kept HB2 SER 21 - QE LYS+ 11 10.000% * 7.6196% (0.75 0.75 0.11) = 7.620% kept HA VAL 65 - QE LYS+ 11 10.000% * 3.7870% (0.90 0.31 0.10) = 3.787% kept HA SER 15 - QE LYS+ 72 10.000% * 1.2928% (0.15 0.63 0.49) = 1.293% kept HA VAL 65 - QE LYS+ 72 10.000% * 0.2474% (0.91 0.02 0.02) = 0.247% HA MET 101 - QE LYS+ 72 10.000% * 0.1517% (0.56 0.02 0.02) = 0.152% HA MET 101 - QE LYS+ 11 10.000% * 0.1500% (0.55 0.02 0.02) = 0.150% HA SER 15 - QE LYS+ 11 10.000% * 0.0409% (0.15 0.02 0.02) = 0.041% Peak 1597 (1.84, 3.90, 51.25 ppm): 9 chemical-shift based assignments, quality = 0.587, support = 4.26, residual support = 30.1: T HB3 LYS+ 11 - QD PRO 12 11.111% * 76.6818% (0.52 10.00 5.12 39.19) = 76.682% kept QE MET 10 - QD PRO 12 11.111% * 14.8004% (0.96 1.00 2.07 0.43) = 14.800% kept HB3 PRO 33 - QD PRO 12 11.111% * 2.8765% (0.59 1.00 0.65 0.18) = 2.877% kept T QB MET 54 - QD PRO 12 11.111% * 2.5566% (0.37 10.00 0.09 0.02) = 2.557% kept HG3 PRO 33 - QD PRO 12 11.111% * 1.4409% (0.78 1.00 0.25 0.18) = 1.441% kept HB3 ARG+ 90 - QD PRO 12 11.111% * 1.1304% (0.98 1.00 0.16 0.02) = 1.130% kept QB LYS+ 72 - QD PRO 12 11.111% * 0.3258% (0.30 1.00 0.14 0.28) = 0.326% HD3 PRO 25 - QD PRO 12 11.111% * 0.1167% (0.78 1.00 0.02 0.02) = 0.117% HB ILE 24 - QD PRO 12 11.111% * 0.0709% (0.48 1.00 0.02 0.02) = 0.071% Peak 1598 (9.30, 5.15, 53.84 ppm): 2 chemical-shift based assignments, quality = 0.522, support = 1.86, residual support = 6.14: HN LEU 43 - HA LEU 82 50.000% * 71.7541% (0.49 2.29 8.35) = 71.754% kept HN LEU 43 - HA LYS+ 11 50.000% * 28.2459% (0.59 0.75 0.52) = 28.246% kept Peak 1599 (6.13, 2.08, 37.34 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1600 (6.13, 1.86, 37.34 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1601 (8.36, 1.86, 37.34 ppm): 6 chemical-shift based assignments, quality = 0.318, support = 0.577, residual support = 0.265: HN ILE 24 - QB MET 54 16.667% * 43.6591% (0.17 1.00 0.58) = 43.659% kept HN LYS+ 20 - HB3 LYS+ 11 16.667% * 40.4269% (0.52 0.30 0.02) = 40.427% kept HN LYS+ 20 - QB MET 54 16.667% * 7.5455% (0.26 0.11 0.02) = 7.546% kept HN GLY 5 - QB MET 54 16.667% * 5.6058% (0.10 0.22 0.02) = 5.606% kept HN ILE 24 - HB3 LYS+ 11 16.667% * 1.7484% (0.34 0.02 0.02) = 1.748% kept HN GLY 5 - HB3 LYS+ 11 16.667% * 1.0143% (0.20 0.02 0.02) = 1.014% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1602 (9.29, 1.86, 37.34 ppm): 6 chemical-shift based assignments, quality = 0.466, support = 2.11, residual support = 7.5: HN LEU 43 - QB MET 54 16.667% * 42.1338% (0.43 1.89 6.40) = 42.134% kept HN LEU 43 - HB3 LYS+ 11 16.667% * 30.3460% (0.86 0.68 0.52) = 30.346% kept HN LYS+ 55 - QB MET 54 16.667% * 20.4363% (0.08 5.16 22.34) = 20.436% kept HN GLN 83 - QB MET 54 16.667% * 5.0238% (0.10 0.99 1.51) = 5.024% kept HN LYS+ 55 - HB3 LYS+ 11 16.667% * 1.8575% (0.15 0.24 0.02) = 1.858% kept HN GLN 83 - HB3 LYS+ 11 16.667% * 0.2025% (0.20 0.02 0.50) = 0.203% Peak 1603 (9.48, 1.86, 37.34 ppm): 6 chemical-shift based assignments, quality = 0.885, support = 5.46, residual support = 63.8: O HN LYS+ 11 - HB3 LYS+ 11 16.667% * 99.5538% (0.89 10.0 5.48 64.06) = 99.554% kept HN TRP 67 - HB3 LYS+ 11 16.667% * 0.3299% (0.52 1.0 0.11 0.02) = 0.330% HN LYS+ 11 - QB MET 54 16.667% * 0.0499% (0.45 1.0 0.02 0.11) = 0.050% HN TRP 67 - QB MET 54 16.667% * 0.0293% (0.26 1.0 0.02 0.02) = 0.029% HN PHE 92 - HB3 LYS+ 11 16.667% * 0.0247% (0.22 1.0 0.02 0.02) = 0.025% HN PHE 92 - QB MET 54 16.667% * 0.0124% (0.11 1.0 0.02 0.33) = 0.012% Peak 1604 (9.49, 2.08, 37.34 ppm): 3 chemical-shift based assignments, quality = 0.624, support = 5.35, residual support = 63.1: O HN LYS+ 11 - HB2 LYS+ 11 33.333% * 98.4406% (0.63 10.0 5.43 64.06) = 98.441% kept HN PHE 92 - HB2 LYS+ 11 33.333% * 0.8712% (0.44 1.0 0.26 0.02) = 0.871% HN TRP 67 - HB2 LYS+ 11 33.333% * 0.6882% (0.78 1.0 0.11 0.02) = 0.688% Peak 1605 (8.49, 3.00, 42.19 ppm): 6 chemical-shift based assignments, quality = 0.351, support = 1.8, residual support = 0.966: HN GLU- 23 - QE LYS+ 11 16.667% * 48.0049% (0.27 2.32 1.21) = 48.005% kept HN GLU- 23 - QE LYS+ 72 16.667% * 37.3274% (0.28 1.78 1.03) = 37.327% kept HN SER 46 - QE LYS+ 72 16.667% * 12.3518% (0.86 0.19 0.02) = 12.352% kept HN SER 46 - QE LYS+ 11 16.667% * 1.2932% (0.85 0.02 0.02) = 1.293% kept HN THR 91 - QE LYS+ 72 16.667% * 0.5142% (0.34 0.02 0.02) = 0.514% HN THR 91 - QE LYS+ 11 16.667% * 0.5085% (0.33 0.02 0.02) = 0.509% Peak 1606 (8.75, 4.30, 62.81 ppm): 4 chemical-shift based assignments, quality = 0.405, support = 4.36, residual support = 16.8: O HN PHE 13 - HA PRO 12 25.000% * 97.2726% (0.40 10.0 4.48 17.21) = 97.273% kept HN MET 10 - HA PRO 12 25.000% * 2.3696% (0.55 1.0 0.35 0.43) = 2.370% kept HN THR 64 - HA PRO 12 25.000% * 0.2238% (0.93 1.0 0.02 0.02) = 0.224% HN GLY 27 - HA PRO 12 25.000% * 0.1340% (0.55 1.0 0.02 0.02) = 0.134% Peak 1607 (8.18, 4.30, 62.81 ppm): 3 chemical-shift based assignments, quality = 0.827, support = 0.122, residual support = 0.104: HN SER 21 - HA PRO 12 33.333% * 86.2931% (0.85 0.14 0.12) = 86.293% kept HN ILE 38 - HA PRO 12 33.333% * 11.4924% (0.78 0.02 0.02) = 11.492% kept HN GLU- 6 - HA PRO 12 33.333% * 2.2145% (0.15 0.02 0.02) = 2.214% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1608 (7.54, 4.30, 62.81 ppm): 2 chemical-shift based assignments, quality = 0.288, support = 0.02, residual support = 0.02: HN ASN 29 - HA PRO 12 50.000% * 52.6087% (0.30 0.02 0.02) = 52.609% kept HN LYS+ 80 - HA PRO 12 50.000% * 47.3913% (0.27 0.02 0.02) = 47.391% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1609 (8.76, 1.66, 32.30 ppm): 5 chemical-shift based assignments, quality = 0.193, support = 3.99, residual support = 16.5: O HN PHE 13 - QB PRO 12 20.000% * 95.7325% (0.19 10.0 4.15 17.21) = 95.733% kept HN MET 10 - QB PRO 12 20.000% * 3.4894% (0.30 1.0 0.47 0.43) = 3.489% kept HN THR 64 - QB PRO 12 20.000% * 0.4795% (0.96 1.0 0.02 0.02) = 0.479% HN GLY 27 - QB PRO 12 20.000% * 0.1493% (0.30 1.0 0.02 0.02) = 0.149% HN ARG+ 53 - QB PRO 12 20.000% * 0.1493% (0.30 1.0 0.02 0.02) = 0.149% Peak 1611 (8.73, 2.05, 27.30 ppm): 12 chemical-shift based assignments, quality = 0.845, support = 3.88, residual support = 11.9: HN PHE 13 - QG PRO 12 8.333% * 66.6134% (0.87 5.02 17.21) = 66.613% kept HN LEU 82 - QG PRO 12 8.333% * 25.5591% (0.91 1.83 1.33) = 25.559% kept HN MET 10 - QG PRO 12 8.333% * 4.3210% (0.74 0.38 0.43) = 4.321% kept HN PHE 13 - HG2 PRO 33 8.333% * 2.8916% (0.12 1.61 3.65) = 2.892% kept HN GLY 27 - QG PRO 12 8.333% * 0.2260% (0.74 0.02 0.02) = 0.226% HN LYS+ 56 - QG PRO 12 8.333% * 0.2032% (0.66 0.02 0.02) = 0.203% HN ASP- 78 - QG PRO 12 8.333% * 0.0518% (0.17 0.02 0.02) = 0.052% HN LEU 82 - HG2 PRO 33 8.333% * 0.0380% (0.12 0.02 0.02) = 0.038% HN GLY 27 - HG2 PRO 33 8.333% * 0.0307% (0.10 0.02 0.02) = 0.031% HN MET 10 - HG2 PRO 33 8.333% * 0.0307% (0.10 0.02 0.02) = 0.031% HN LYS+ 56 - HG2 PRO 33 8.333% * 0.0276% (0.09 0.02 6.37) = 0.028% HN ASP- 78 - HG2 PRO 33 8.333% * 0.0070% (0.02 0.02 0.02) = 0.007% Peak 1612 (5.13, 3.90, 51.25 ppm): 4 chemical-shift based assignments, quality = 0.442, support = 6.38, residual support = 34.8: O T HA LYS+ 11 - QD PRO 12 25.000% * 88.4913% (0.48 10.0 10.00 7.12 39.19) = 88.491% kept T HA LEU 82 - QD PRO 12 25.000% * 11.2683% (0.17 1.0 10.00 0.71 1.33) = 11.268% kept HA GLN 83 - QD PRO 12 25.000% * 0.1519% (0.82 1.0 1.00 0.02 0.02) = 0.152% HA VAL 40 - QD PRO 12 25.000% * 0.0885% (0.48 1.0 1.00 0.02 0.02) = 0.088% Peak 1613 (9.51, 3.90, 51.25 ppm): 3 chemical-shift based assignments, quality = 0.256, support = 4.73, residual support = 34.8: HN LYS+ 11 - QD PRO 12 33.333% * 88.9179% (0.17 5.31 39.19) = 88.918% kept HN PHE 92 - QD PRO 12 33.333% * 9.2367% (0.93 0.10 0.02) = 9.237% kept HN TRP 67 - QD PRO 12 33.333% * 1.8454% (0.95 0.02 0.02) = 1.845% kept Peak 1614 (8.75, 5.15, 53.84 ppm): 8 chemical-shift based assignments, quality = 0.558, support = 2.5, residual support = 11.5: HN MET 10 - HA LYS+ 11 12.500% * 23.8933% (0.59 2.89 23.30) = 23.893% kept HN THR 64 - HA LEU 82 12.500% * 22.9765% (0.75 2.20 9.79) = 22.977% kept HN PHE 13 - HA LYS+ 11 12.500% * 22.2562% (0.44 3.64 3.65) = 22.256% kept HN PHE 13 - HA LEU 82 12.500% * 11.8104% (0.36 2.33 21.41) = 11.810% kept HN MET 10 - HA LEU 82 12.500% * 9.6673% (0.49 1.41 2.73) = 9.667% kept HN GLY 27 - HA LEU 82 12.500% * 7.0792% (0.49 1.03 0.53) = 7.079% kept HN THR 64 - HA LYS+ 11 12.500% * 2.1519% (0.90 0.17 0.02) = 2.152% kept HN GLY 27 - HA LYS+ 11 12.500% * 0.1652% (0.59 0.02 0.02) = 0.165% Peak 1615 (5.17, 2.05, 27.30 ppm): 4 chemical-shift based assignments, quality = 0.475, support = 2.94, residual support = 17.2: T HA LEU 82 - QG PRO 12 25.000% * 58.0352% (0.62 10.00 1.19 1.33) = 58.035% kept T HA LYS+ 11 - QG PRO 12 25.000% * 41.9458% (0.27 10.00 5.37 39.19) = 41.946% kept HA LEU 82 - HG2 PRO 33 25.000% * 0.0133% (0.08 1.00 0.02 0.02) = 0.013% HA LYS+ 11 - HG2 PRO 33 25.000% * 0.0057% (0.04 1.00 0.02 0.02) = 0.006% Peak 1616 (2.09, 4.25, 59.35 ppm): 7 chemical-shift based assignments, quality = 0.723, support = 0.478, residual support = 2.36: HB2 LYS+ 11 - HA PHE 13 14.286% * 62.3936% (0.83 0.61 3.65) = 62.394% kept HG3 GLN 83 - HA PHE 13 14.286% * 19.2658% (0.37 0.42 0.30) = 19.266% kept HB3 PRO 37 - HA PHE 13 14.286% * 11.1912% (0.68 0.13 0.02) = 11.191% kept QB ARG+ 88 - HA PHE 13 14.286% * 2.3592% (0.96 0.02 0.02) = 2.359% kept HG2 MET 54 - HA PHE 13 14.286% * 2.3124% (0.94 0.02 0.84) = 2.312% kept HB2 GLU- 16 - HA PHE 13 14.286% * 1.8682% (0.76 0.02 0.15) = 1.868% kept HB2 MET 1 - HA PHE 13 14.286% * 0.6096% (0.25 0.02 0.02) = 0.610% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1617 (1.73, 4.25, 59.35 ppm): 8 chemical-shift based assignments, quality = 0.498, support = 3.6, residual support = 19.1: HB ILE 14 - HA PHE 13 12.500% * 75.3668% (0.41 4.63 25.30) = 75.367% kept HB2 GLU- 23 - HA PHE 13 12.500% * 18.9490% (0.83 0.57 0.15) = 18.949% kept HG12 ILE 38 - HA PHE 13 12.500% * 3.6509% (0.94 0.10 0.02) = 3.651% kept HB2 ARG+ 48 - HA PHE 13 12.500% * 0.6874% (0.86 0.02 0.10) = 0.687% QB GLU- 30 - HA PHE 13 12.500% * 0.4487% (0.56 0.02 0.02) = 0.449% HB3 PRO 25 - HA PHE 13 12.500% * 0.3553% (0.44 0.02 0.02) = 0.355% HG LEU 26 - HA PHE 13 12.500% * 0.2974% (0.37 0.02 0.02) = 0.297% QD LYS+ 60 - HA PHE 13 12.500% * 0.2446% (0.31 0.02 0.02) = 0.245% Peak 1618 (1.29, 4.25, 59.35 ppm): 4 chemical-shift based assignments, quality = 0.815, support = 2.81, residual support = 19.1: T QD1 LEU 82 - HA PHE 13 25.000% * 85.8386% (0.79 10.00 2.99 21.41) = 85.839% kept HD2 LYS+ 56 - HA PHE 13 25.000% * 10.9449% (0.96 1.00 2.12 6.30) = 10.945% kept HB3 LEU 63 - HA PHE 13 25.000% * 1.6202% (0.98 1.00 0.30 0.02) = 1.620% kept QG2 THR 51 - HA PHE 13 25.000% * 1.5963% (0.79 1.00 0.37 0.02) = 1.596% kept Peak 1619 (0.83, 4.25, 59.35 ppm): 6 chemical-shift based assignments, quality = 0.93, support = 4.35, residual support = 22.6: QD1 ILE 14 - HA PHE 13 16.667% * 89.2331% (0.98 4.81 25.30) = 89.233% kept HG13 ILE 24 - HA PHE 13 16.667% * 7.8148% (0.64 0.64 0.02) = 7.815% kept HG LEU 22 - HA PHE 13 16.667% * 1.6611% (0.17 0.51 0.02) = 1.661% kept QG2 VAL 61 - HA PHE 13 16.667% * 0.9470% (0.13 0.37 0.02) = 0.947% HB2 LEU 76 - HA PHE 13 16.667% * 0.2282% (0.15 0.08 0.02) = 0.228% QG2 VAL 40 - HA PHE 13 16.667% * 0.1157% (0.31 0.02 0.02) = 0.116% Peak 1620 (7.00, 4.25, 59.35 ppm): 2 chemical-shift based assignments, quality = 0.676, support = 0.745, residual support = 1.48: HE ARG+ 90 - HA PHE 13 50.000% * 99.3247% (0.68 0.75 1.49) = 99.325% kept HN PHE 70 - HA PHE 13 50.000% * 0.6753% (0.17 0.02 0.02) = 0.675% Peak 1621 (7.28, 4.25, 59.35 ppm): 2 chemical-shift based assignments, quality = 0.482, support = 4.67, residual support = 25.0: O HN ILE 14 - HA PHE 13 50.000% * 98.7281% (0.48 10.0 4.72 25.30) = 98.728% kept HN SER 49 - HA PHE 13 50.000% * 1.2719% (0.48 1.0 0.26 0.02) = 1.272% kept Peak 1622 (8.76, 4.25, 59.35 ppm): 5 chemical-shift based assignments, quality = 0.136, support = 4.93, residual support = 36.4: O HN PHE 13 - HA PHE 13 20.000% * 95.7392% (0.13 10.0 5.14 38.06) = 95.739% kept HN GLY 27 - HA PHE 13 20.000% * 2.2912% (0.22 1.0 0.29 0.02) = 2.291% kept HN MET 10 - HA PHE 13 20.000% * 1.0096% (0.22 1.0 0.13 0.02) = 1.010% kept HN THR 64 - HA PHE 13 20.000% * 0.6692% (0.94 1.0 0.02 0.13) = 0.669% HN ARG+ 53 - HA PHE 13 20.000% * 0.2908% (0.41 1.0 0.02 0.02) = 0.291% Peak 1623 (7.02, 3.15, 39.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1624 (8.76, 3.15, 39.77 ppm): 5 chemical-shift based assignments, quality = 0.131, support = 4.14, residual support = 37.0: O HN PHE 13 - HB2 PHE 13 20.000% * 97.1574% (0.13 10.0 4.26 38.06) = 97.157% kept HN GLY 27 - HB2 PHE 13 20.000% * 1.7085% (0.21 1.0 0.21 0.02) = 1.709% kept HN THR 64 - HB2 PHE 13 20.000% * 0.6791% (0.91 1.0 0.02 0.13) = 0.679% HN ARG+ 53 - HB2 PHE 13 20.000% * 0.2951% (0.40 1.0 0.02 0.02) = 0.295% HN MET 10 - HB2 PHE 13 20.000% * 0.1598% (0.21 1.0 0.02 0.02) = 0.160% Peak 1625 (7.02, 2.57, 39.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1626 (8.75, 2.57, 39.77 ppm): 4 chemical-shift based assignments, quality = 0.473, support = 3.65, residual support = 37.7: O HN PHE 13 - HB3 PHE 13 25.000% * 99.0800% (0.48 10.0 3.68 38.06) = 99.080% kept HN GLY 27 - HB3 PHE 13 25.000% * 0.6058% (0.63 1.0 0.09 0.02) = 0.606% HN THR 64 - HB3 PHE 13 25.000% * 0.1826% (0.88 1.0 0.02 0.13) = 0.183% HN MET 10 - HB3 PHE 13 25.000% * 0.1317% (0.63 1.0 0.02 0.02) = 0.132% Peak 1627 (1.25, 2.57, 39.77 ppm): 4 chemical-shift based assignments, quality = 0.331, support = 3.18, residual support = 21.4: T QD1 LEU 82 - HB3 PHE 13 25.000% * 76.5508% (0.19 10.00 3.70 21.41) = 76.551% kept HB3 LEU 82 - HB3 PHE 13 25.000% * 23.2305% (0.78 1.00 1.50 21.41) = 23.230% kept HB3 LYS+ 56 - HB3 PHE 13 25.000% * 0.1590% (0.40 1.00 0.02 6.30) = 0.159% QG1 VAL 65 - HB3 PHE 13 25.000% * 0.0597% (0.15 1.00 0.02 0.02) = 0.060% Peak 1628 (1.79, 2.57, 39.77 ppm): 10 chemical-shift based assignments, quality = 0.864, support = 1.85, residual support = 17.9: HG LEU 82 - HB3 PHE 13 10.000% * 82.3663% (0.98 2.17 21.41) = 82.366% kept HG LEU 42 - HB3 PHE 13 10.000% * 6.2552% (0.30 0.53 0.11) = 6.255% kept HB2 LYS+ 55 - HB3 PHE 13 10.000% * 5.2921% (0.22 0.62 3.34) = 5.292% kept HD2 LYS+ 55 - HB3 PHE 13 10.000% * 2.8306% (0.97 0.08 3.34) = 2.831% kept HG2 ARG+ 53 - HB3 PHE 13 10.000% * 0.7940% (0.27 0.08 0.02) = 0.794% HG3 ARG+ 53 - HB3 PHE 13 10.000% * 0.7029% (0.90 0.02 0.02) = 0.703% HB3 LYS+ 20 - HB3 PHE 13 10.000% * 0.6829% (0.88 0.02 0.02) = 0.683% HB3 LYS+ 17 - HB3 PHE 13 10.000% * 0.5230% (0.67 0.02 0.02) = 0.523% HB ILE 95 - HB3 PHE 13 10.000% * 0.3414% (0.44 0.02 0.02) = 0.341% HB VAL 61 - HB3 PHE 13 10.000% * 0.2117% (0.27 0.02 0.02) = 0.212% Peak 1629 (4.87, 4.36, 58.87 ppm): 2 chemical-shift based assignments, quality = 0.845, support = 0.202, residual support = 4.42: HA ASP- 78 - HA ILE 14 50.000% * 90.5280% (0.91 0.21 4.87) = 90.528% kept HA TYR 97 - HA ILE 14 50.000% * 9.4720% (0.19 0.11 0.13) = 9.472% kept Peak 1630 (10.12, 4.36, 58.87 ppm): 1 chemical-shift based assignment, quality = 0.585, support = 5.48, residual support = 28.8: O HN SER 15 - HA ILE 14 100.000% *100.0000% (0.59 10.0 5.48 28.85) = 100.000% kept Peak 1631 (7.06, 1.75, 38.95 ppm): 1 chemical-shift based assignment, quality = 0.946, support = 3.7, residual support = 32.6: HN LYS+ 17 - HB ILE 14 100.000% *100.0000% (0.95 3.70 32.63) = 100.000% kept Peak 1632 (7.28, 1.75, 38.95 ppm): 2 chemical-shift based assignments, quality = 0.47, support = 6.31, residual support = 151.6: O HN ILE 14 - HB ILE 14 50.000% * 94.7215% (0.47 10.0 6.60 159.95) = 94.722% kept HN SER 49 - HB ILE 14 50.000% * 5.2785% (0.47 1.0 1.11 1.73) = 5.278% kept Peak 1633 (2.11, 0.96, 59.67 ppm): 18 chemical-shift based assignments, quality = 0.452, support = 2.5, residual support = 31.5: HB2 GLU- 16 - QG2 ILE 14 5.556% * 44.1338% (0.68 1.0 1.00 2.68 13.15) = 44.134% kept O T HB ILE 85 - QG2 ILE 85 5.556% * 19.8924% (0.04 10.0 10.00 5.62 127.62) = 19.892% kept HB3 PRO 37 - QG2 ILE 14 5.556% * 11.4986% (0.76 1.0 1.00 0.63 1.85) = 11.499% kept HG2 MET 54 - QG2 ILE 14 5.556% * 7.5545% (0.44 1.0 1.00 0.70 0.14) = 7.555% kept T HB2 ASN 74 - QG2 ILE 85 5.556% * 6.7429% (0.03 1.0 10.00 0.85 0.63) = 6.743% kept T HB2 ASN 74 - QG2 ILE 14 5.556% * 4.6557% (0.20 1.0 10.00 0.10 0.02) = 4.656% kept QB MET 10 - QG2 ILE 14 5.556% * 1.6388% (0.48 1.0 1.00 0.14 0.02) = 1.639% kept HG2 MET 54 - QG2 ILE 85 5.556% * 1.3393% (0.07 1.0 1.00 0.75 0.49) = 1.339% kept T HB ILE 85 - QG2 ILE 14 5.556% * 1.1977% (0.25 1.0 10.00 0.02 0.16) = 1.198% kept HB2 MET 1 - QG2 ILE 14 5.556% * 0.4793% (0.99 1.0 1.00 0.02 0.02) = 0.479% QB ARG+ 88 - QG2 ILE 14 5.556% * 0.4632% (0.17 1.0 1.00 0.11 0.02) = 0.463% HB3 MET 101 - QG2 ILE 14 5.556% * 0.1335% (0.28 1.0 1.00 0.02 0.02) = 0.134% HB2 MET 1 - QG2 ILE 85 5.556% * 0.0796% (0.16 1.0 1.00 0.02 0.02) = 0.080% HB3 PRO 37 - QG2 ILE 85 5.556% * 0.0610% (0.13 1.0 1.00 0.02 0.02) = 0.061% HB2 GLU- 16 - QG2 ILE 85 5.556% * 0.0548% (0.11 1.0 1.00 0.02 0.02) = 0.055% QB MET 10 - QG2 ILE 85 5.556% * 0.0388% (0.08 1.0 1.00 0.02 0.02) = 0.039% HB3 MET 101 - QG2 ILE 85 5.556% * 0.0222% (0.05 1.0 1.00 0.02 0.02) = 0.022% QB ARG+ 88 - QG2 ILE 85 5.556% * 0.0140% (0.03 1.0 1.00 0.02 0.02) = 0.014% Peak 1634 (2.23, 0.96, 59.67 ppm): 12 chemical-shift based assignments, quality = 0.325, support = 2.41, residual support = 4.72: T HB3 GLN 8 - QG2 ILE 14 8.333% * 60.5553% (0.34 10.00 3.10 6.50) = 60.555% kept T QG GLU- 6 - QG2 ILE 14 8.333% * 15.1039% (0.15 10.00 1.10 0.85) = 15.104% kept T HB3 GLN 8 - QG2 ILE 85 8.333% * 9.9405% (0.06 10.00 1.98 5.78) = 9.940% kept HB2 PRO 25 - QG2 ILE 14 8.333% * 9.7676% (0.83 1.00 1.32 0.81) = 9.768% kept QG GLU- 77 - QG2 ILE 14 8.333% * 2.2549% (0.34 1.00 0.74 0.02) = 2.255% kept HB2 GLU- 77 - QG2 ILE 14 8.333% * 1.8825% (0.17 1.00 1.21 0.02) = 1.882% kept QG GLU- 77 - QG2 ILE 85 8.333% * 0.2471% (0.06 1.00 0.49 0.19) = 0.247% HB2 MET 101 - QG2 ILE 14 8.333% * 0.2073% (0.22 1.00 0.10 0.02) = 0.207% HB2 PRO 25 - QG2 ILE 85 8.333% * 0.0246% (0.14 1.00 0.02 0.02) = 0.025% HB2 MET 101 - QG2 ILE 85 8.333% * 0.0066% (0.04 1.00 0.02 0.02) = 0.007% HB2 GLU- 77 - QG2 ILE 85 8.333% * 0.0052% (0.03 1.00 0.02 0.19) = 0.005% QG GLU- 6 - QG2 ILE 85 8.333% * 0.0045% (0.03 1.00 0.02 0.02) = 0.005% Peak 1635 (2.74, 0.96, 59.67 ppm): 10 chemical-shift based assignments, quality = 0.769, support = 1.84, residual support = 3.39: QB ASP- 78 - QG2 ILE 14 10.000% * 65.3213% (0.89 2.41 4.87) = 65.321% kept HB2 ASN 100 - QG2 ILE 14 10.000% * 14.9278% (0.83 0.59 0.25) = 14.928% kept HB3 TYR 97 - QG2 ILE 14 10.000% * 11.1285% (0.48 0.76 0.13) = 11.128% kept HB3 PHE 28 - QG2 ILE 14 10.000% * 5.4639% (0.20 0.91 0.02) = 5.464% kept HB3 TYR 93 - QG2 ILE 85 10.000% * 2.0858% (0.04 1.87 7.66) = 2.086% kept HB3 TYR 93 - QG2 ILE 14 10.000% * 0.8305% (0.22 0.12 0.02) = 0.831% QB ASP- 78 - QG2 ILE 85 10.000% * 0.0899% (0.15 0.02 0.02) = 0.090% HB2 ASN 100 - QG2 ILE 85 10.000% * 0.0837% (0.14 0.02 0.02) = 0.084% HB3 TYR 97 - QG2 ILE 85 10.000% * 0.0488% (0.08 0.02 0.02) = 0.049% HB3 PHE 28 - QG2 ILE 85 10.000% * 0.0198% (0.03 0.02 0.72) = 0.020% Peak 1636 (2.95, 0.96, 59.67 ppm): 16 chemical-shift based assignments, quality = 0.749, support = 1.55, residual support = 12.9: QE LYS+ 17 - QG2 ILE 14 6.250% * 37.6652% (0.83 2.04 32.63) = 37.665% kept HB3 PHE 9 - QG2 ILE 14 6.250% * 33.7551% (0.91 1.66 0.58) = 33.755% kept QE LYS+ 55 - QG2 ILE 14 6.250% * 13.8413% (0.56 1.11 0.98) = 13.841% kept HB2 ASP- 89 - QG2 ILE 14 6.250% * 4.5667% (0.68 0.30 0.02) = 4.567% kept HD3 ARG+ 48 - QG2 ILE 14 6.250% * 3.8337% (0.37 0.46 6.85) = 3.834% kept HB3 PHE 9 - QG2 ILE 85 6.250% * 2.5748% (0.15 0.76 0.71) = 2.575% kept QE LYS+ 55 - QG2 ILE 85 6.250% * 2.0043% (0.09 0.96 0.52) = 2.004% kept QB ASN 29 - QG2 ILE 14 6.250% * 0.7500% (0.37 0.09 0.02) = 0.750% HB2 ASP- 89 - QG2 ILE 85 6.250% * 0.4212% (0.11 0.17 0.02) = 0.421% HE3 LYS+ 60 - QG2 ILE 14 6.250% * 0.2680% (0.60 0.02 9.23) = 0.268% HD3 ARG+ 88 - QG2 ILE 14 6.250% * 0.1364% (0.31 0.02 0.02) = 0.136% QE LYS+ 17 - QG2 ILE 85 6.250% * 0.0613% (0.14 0.02 0.02) = 0.061% HE3 LYS+ 60 - QG2 ILE 85 6.250% * 0.0445% (0.10 0.02 0.52) = 0.045% QB ASN 29 - QG2 ILE 85 6.250% * 0.0275% (0.06 0.02 1.19) = 0.028% HD3 ARG+ 48 - QG2 ILE 85 6.250% * 0.0275% (0.06 0.02 0.02) = 0.028% HD3 ARG+ 88 - QG2 ILE 85 6.250% * 0.0226% (0.05 0.02 0.02) = 0.023% Peak 1637 (4.13, 0.96, 59.67 ppm): 12 chemical-shift based assignments, quality = 0.906, support = 1.32, residual support = 7.26: HA GLU- 16 - QG2 ILE 14 8.333% * 52.1532% (0.97 1.94 13.15) = 52.153% kept HA ILE 95 - QG2 ILE 14 8.333% * 19.9045% (0.94 0.77 0.16) = 19.905% kept HA LEU 26 - QG2 ILE 14 8.333% * 16.4585% (0.86 0.69 1.13) = 16.458% kept HB THR 39 - QG2 ILE 14 8.333% * 6.5724% (0.99 0.24 0.02) = 6.572% kept HA ILE 95 - QG2 ILE 85 8.333% * 3.7064% (0.16 0.86 4.90) = 3.706% kept QB SER 19 - QG2 ILE 14 8.333% * 0.4770% (0.86 0.02 2.15) = 0.477% HA GLU- 30 - QG2 ILE 14 8.333% * 0.3335% (0.60 0.02 0.02) = 0.334% HB THR 39 - QG2 ILE 85 8.333% * 0.0911% (0.16 0.02 0.02) = 0.091% HA GLU- 16 - QG2 ILE 85 8.333% * 0.0895% (0.16 0.02 0.02) = 0.090% QB SER 19 - QG2 ILE 85 8.333% * 0.0792% (0.14 0.02 0.02) = 0.079% HA LEU 26 - QG2 ILE 85 8.333% * 0.0792% (0.14 0.02 0.27) = 0.079% HA GLU- 30 - QG2 ILE 85 8.333% * 0.0554% (0.10 0.02 0.02) = 0.055% Peak 1638 (4.56, 0.96, 59.67 ppm): 2 chemical-shift based assignments, quality = 0.756, support = 2.16, residual support = 32.6: HA LYS+ 17 - QG2 ILE 14 50.000% * 99.8469% (0.76 2.17 32.63) = 99.847% kept HA LYS+ 17 - QG2 ILE 85 50.000% * 0.1531% (0.13 0.02 0.02) = 0.153% Peak 1639 (4.75, 0.96, 59.67 ppm): 12 chemical-shift based assignments, quality = 0.41, support = 3.84, residual support = 77.5: O HA ILE 85 - QG2 ILE 85 8.333% * 60.4856% (0.16 10.0 5.52 127.62) = 60.486% kept HA LYS+ 55 - QG2 ILE 14 8.333% * 28.7869% (0.91 1.0 1.65 0.98) = 28.787% kept HA ALA 34 - QG2 ILE 14 8.333% * 3.2497% (0.64 1.0 0.27 0.02) = 3.250% kept HA LYS+ 20 - QG2 ILE 14 8.333% * 3.0789% (0.48 1.0 0.34 0.02) = 3.079% kept HA ARG+ 53 - QG2 ILE 14 8.333% * 3.0055% (0.48 1.0 0.33 0.02) = 3.006% kept HA LYS+ 55 - QG2 ILE 85 8.333% * 0.8505% (0.15 1.0 0.29 0.52) = 0.850% HA ILE 85 - QG2 ILE 14 8.333% * 0.3642% (0.96 1.0 0.02 0.16) = 0.364% HA HIS 99 - QG2 ILE 14 8.333% * 0.0661% (0.17 1.0 0.02 0.02) = 0.066% HA ALA 34 - QG2 ILE 85 8.333% * 0.0405% (0.11 1.0 0.02 0.02) = 0.041% HA LYS+ 20 - QG2 ILE 85 8.333% * 0.0305% (0.08 1.0 0.02 0.02) = 0.031% HA ARG+ 53 - QG2 ILE 85 8.333% * 0.0305% (0.08 1.0 0.02 0.02) = 0.031% HA HIS 99 - QG2 ILE 85 8.333% * 0.0110% (0.03 1.0 0.02 0.02) = 0.011% Peak 1640 (7.06, 0.96, 59.67 ppm): 2 chemical-shift based assignments, quality = 0.971, support = 7.62, residual support = 32.6: HN LYS+ 17 - QG2 ILE 14 50.000% * 99.9565% (0.97 7.63 32.63) = 99.956% kept HN LYS+ 17 - QG2 ILE 85 50.000% * 0.0435% (0.16 0.02 0.02) = 0.044% Peak 1641 (7.29, 0.96, 59.67 ppm): 4 chemical-shift based assignments, quality = 0.131, support = 5.6, residual support = 134.2: HN ILE 14 - QG2 ILE 14 25.000% * 83.7733% (0.13 6.49 159.95) = 83.773% kept HN SER 49 - QG2 ILE 14 25.000% * 13.4209% (0.13 1.04 1.73) = 13.421% kept HN ILE 14 - QG2 ILE 85 25.000% * 1.9326% (0.02 0.90 0.16) = 1.933% kept HN SER 49 - QG2 ILE 85 25.000% * 0.8731% (0.02 0.41 0.02) = 0.873% Peak 1642 (8.03, 0.96, 59.67 ppm): 12 chemical-shift based assignments, quality = 0.47, support = 1.03, residual support = 0.783: HN LEU 26 - QG2 ILE 14 8.333% * 60.6205% (0.48 1.47 1.13) = 60.621% kept HN ASP- 44 - QG2 ILE 14 8.333% * 12.7342% (0.20 0.76 0.48) = 12.734% kept HN PHE 28 - QG2 ILE 14 8.333% * 10.9573% (0.96 0.13 0.02) = 10.957% kept HN ASP- 87 - QG2 ILE 14 8.333% * 4.9038% (0.72 0.08 0.02) = 4.904% kept HN PHE 28 - QG2 ILE 85 8.333% * 3.9302% (0.16 0.29 0.72) = 3.930% kept HD21 ASN 69 - QG2 ILE 14 8.333% * 2.2826% (0.13 0.20 0.02) = 2.283% kept HN LEU 26 - QG2 ILE 85 8.333% * 1.8660% (0.08 0.27 0.27) = 1.866% kept HN ASP- 87 - QG2 ILE 85 8.333% * 1.7493% (0.12 0.17 0.02) = 1.749% kept HN ARG+ 48 - QG2 ILE 14 8.333% * 0.7394% (0.43 0.02 6.85) = 0.739% HN ARG+ 48 - QG2 ILE 85 8.333% * 0.1228% (0.07 0.02 0.02) = 0.123% HN ASP- 44 - QG2 ILE 85 8.333% * 0.0557% (0.03 0.02 0.02) = 0.056% HD21 ASN 69 - QG2 ILE 85 8.333% * 0.0381% (0.02 0.02 0.02) = 0.038% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1643 (8.92, 0.96, 59.67 ppm): 8 chemical-shift based assignments, quality = 0.75, support = 5.44, residual support = 11.5: HN GLU- 16 - QG2 ILE 14 12.500% * 84.9278% (0.79 6.23 13.15) = 84.928% kept HN LEU 63 - QG2 ILE 14 12.500% * 9.5760% (0.37 1.50 3.04) = 9.576% kept HN ASP- 41 - QG2 ILE 14 12.500% * 3.1737% (0.86 0.21 0.02) = 3.174% kept HN VAL 65 - QG2 ILE 14 12.500% * 1.3204% (0.97 0.08 0.02) = 1.320% kept HN ASP- 41 - QG2 ILE 85 12.500% * 0.8800% (0.14 0.36 0.52) = 0.880% HN VAL 65 - QG2 ILE 85 12.500% * 0.0554% (0.16 0.02 0.02) = 0.055% HN GLU- 16 - QG2 ILE 85 12.500% * 0.0453% (0.13 0.02 0.02) = 0.045% HN LEU 63 - QG2 ILE 85 12.500% * 0.0212% (0.06 0.02 0.02) = 0.021% Peak 1644 (10.14, 0.96, 59.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1645 (0.30, 1.34, 26.98 ppm): 2 chemical-shift based assignments, quality = 0.52, support = 0.815, residual support = 2.42: QG1 VAL 7 - HG12 ILE 14 50.000% * 76.9309% (0.62 0.80 2.96) = 76.931% kept QG1 VAL 7 - HG LEU 63 50.000% * 23.0691% (0.17 0.86 0.61) = 23.069% kept Peak 1646 (0.55, 1.34, 26.98 ppm): 6 chemical-shift based assignments, quality = 0.17, support = 4.78, residual support = 108.5: O QD2 LEU 63 - HG LEU 63 16.667% * 84.6627% (0.14 10.0 5.51 125.82) = 84.663% kept QD2 LEU 63 - HG12 ILE 14 16.667% * 8.2476% (0.51 1.0 0.54 3.04) = 8.248% kept QD2 LEU 22 - HG LEU 63 16.667% * 3.6464% (0.09 1.0 1.33 46.03) = 3.646% kept QG2 ILE 95 - HG LEU 63 16.667% * 2.8954% (0.16 1.0 0.59 0.66) = 2.895% kept QG2 ILE 95 - HG12 ILE 14 16.667% * 0.3506% (0.59 1.0 0.02 0.16) = 0.351% QD2 LEU 22 - HG12 ILE 14 16.667% * 0.1972% (0.33 1.0 0.02 0.02) = 0.197% Peak 1647 (7.28, 1.34, 26.98 ppm): 4 chemical-shift based assignments, quality = 0.46, support = 5.03, residual support = 136.9: HN ILE 14 - HG12 ILE 14 25.000% * 85.4419% (0.47 5.75 159.95) = 85.442% kept HN SER 49 - HG12 ILE 14 25.000% * 11.5699% (0.47 0.78 1.73) = 11.570% kept HN ILE 14 - HG LEU 63 25.000% * 2.9055% (0.13 0.70 3.04) = 2.906% kept HN SER 49 - HG LEU 63 25.000% * 0.0827% (0.13 0.02 0.02) = 0.083% Peak 1648 (8.88, 1.34, 26.98 ppm): 8 chemical-shift based assignments, quality = 0.369, support = 2.94, residual support = 32.7: HN LEU 63 - HG12 ILE 14 12.500% * 23.3806% (0.55 1.72 3.04) = 23.381% kept HN LEU 63 - HG LEU 63 12.500% * 21.8664% (0.15 5.79 125.82) = 21.866% kept HN GLU- 16 - HG12 ILE 14 12.500% * 19.2085% (0.19 4.05 13.15) = 19.208% kept HN PHE 62 - HG12 ILE 14 12.500% * 14.0159% (0.74 0.77 0.17) = 14.016% kept HN PHE 62 - HG LEU 63 12.500% * 13.2504% (0.21 2.60 14.29) = 13.250% kept HN GLY 79 - HG12 ILE 14 12.500% * 6.8966% (0.59 0.47 0.17) = 6.897% kept HN GLU- 16 - HG LEU 63 12.500% * 1.3007% (0.05 0.99 1.15) = 1.301% kept HN GLY 79 - HG LEU 63 12.500% * 0.0809% (0.16 0.02 0.02) = 0.081% Peak 1649 (7.28, 1.11, 26.98 ppm): 2 chemical-shift based assignments, quality = 0.46, support = 5.31, residual support = 148.0: HN ILE 14 - HG13 ILE 14 50.000% * 92.4661% (0.46 5.71 159.95) = 92.466% kept HN SER 49 - HG13 ILE 14 50.000% * 7.5339% (0.46 0.47 1.73) = 7.534% kept Peak 1650 (2.74, 0.84, 53.52 ppm): 5 chemical-shift based assignments, quality = 0.803, support = 1.73, residual support = 3.46: QB ASP- 78 - QD1 ILE 14 20.000% * 70.0366% (0.88 2.25 4.87) = 70.037% kept HB2 ASN 100 - QD1 ILE 14 20.000% * 16.8633% (0.82 0.58 0.25) = 16.863% kept HB3 TYR 97 - QD1 ILE 14 20.000% * 8.2984% (0.48 0.49 0.13) = 8.298% kept HB3 PHE 28 - QD1 ILE 14 20.000% * 3.2355% (0.19 0.47 0.02) = 3.235% kept HB3 TYR 93 - QD1 ILE 14 20.000% * 1.5663% (0.22 0.20 0.02) = 1.566% kept Peak 1651 (2.98, 0.84, 53.52 ppm): 10 chemical-shift based assignments, quality = 0.391, support = 0.57, residual support = 11.1: HD3 ARG+ 48 - QD1 ILE 14 10.000% * 31.4210% (0.59 0.41 6.85) = 31.421% kept QE LYS+ 17 - QD1 ILE 14 10.000% * 26.7417% (0.19 1.07 32.63) = 26.742% kept QE LYS+ 55 - QD1 ILE 14 10.000% * 16.4525% (0.40 0.32 0.98) = 16.452% kept HB3 PHE 9 - QD1 ILE 14 10.000% * 12.8909% (0.13 0.75 0.58) = 12.891% kept HD3 ARG+ 88 - QD1 ILE 14 10.000% * 6.9526% (0.67 0.08 0.02) = 6.953% kept QE LYS+ 11 - QD1 ILE 14 10.000% * 1.7358% (0.67 0.02 0.32) = 1.736% kept QE LYS+ 72 - QD1 ILE 14 10.000% * 1.6347% (0.63 0.02 0.02) = 1.635% kept HE3 LYS+ 60 - QD1 ILE 14 10.000% * 0.9484% (0.37 0.02 9.23) = 0.948% HB2 ASP- 89 - QD1 ILE 14 10.000% * 0.7799% (0.30 0.02 0.02) = 0.780% QE LYS+ 20 - QD1 ILE 14 10.000% * 0.4425% (0.17 0.02 0.02) = 0.443% Peak 1652 (4.80, 0.84, 53.52 ppm): 3 chemical-shift based assignments, quality = 0.624, support = 1.01, residual support = 0.411: HA TYR 81 - QD1 ILE 14 33.333% * 49.5649% (0.75 1.06 0.42) = 49.565% kept HA THR 64 - QD1 ILE 14 33.333% * 36.9830% (0.59 0.99 0.44) = 36.983% kept HA TRP 50 - QD1 ILE 14 33.333% * 13.4521% (0.24 0.88 0.29) = 13.452% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1653 (7.06, 0.84, 53.52 ppm): 1 chemical-shift based assignment, quality = 0.961, support = 4.86, residual support = 32.6: HN LYS+ 17 - QD1 ILE 14 100.000% *100.0000% (0.96 4.86 32.63) = 100.000% kept Peak 1654 (7.29, 0.84, 53.52 ppm): 2 chemical-shift based assignments, quality = 0.133, support = 6.09, residual support = 115.5: HN ILE 14 - QD1 ILE 14 50.000% * 71.8915% (0.13 7.35 159.95) = 71.892% kept HN SER 49 - QD1 ILE 14 50.000% * 28.1085% (0.13 2.87 1.73) = 28.108% kept Peak 1655 (8.74, 0.84, 53.52 ppm): 6 chemical-shift based assignments, quality = 0.824, support = 3.77, residual support = 18.7: HN PHE 13 - QD1 ILE 14 16.667% * 73.5408% (0.90 4.75 25.30) = 73.541% kept HN LEU 82 - QD1 ILE 14 16.667% * 13.4350% (0.48 1.65 0.54) = 13.435% kept HN THR 64 - QD1 ILE 14 16.667% * 5.4233% (0.44 0.72 0.44) = 5.423% kept HN MET 10 - QD1 ILE 14 16.667% * 4.6810% (0.97 0.28 0.02) = 4.681% kept HN GLY 27 - QD1 ILE 14 16.667% * 2.5820% (0.97 0.16 0.02) = 2.582% kept HN LYS+ 56 - QD1 ILE 14 16.667% * 0.3379% (0.22 0.09 2.54) = 0.338% Peak 1656 (8.88, 0.84, 53.52 ppm): 4 chemical-shift based assignments, quality = 0.486, support = 2.35, residual support = 5.2: HN LEU 63 - QD1 ILE 14 25.000% * 34.2621% (0.55 1.81 3.04) = 34.262% kept HN GLU- 16 - QD1 ILE 14 25.000% * 31.1860% (0.19 4.72 13.15) = 31.186% kept HN PHE 62 - QD1 ILE 14 25.000% * 19.3616% (0.75 0.76 0.17) = 19.362% kept HN GLY 79 - QD1 ILE 14 25.000% * 15.1903% (0.59 0.75 0.17) = 15.190% kept Peak 1657 (10.13, 0.84, 53.52 ppm): 1 chemical-shift based assignment, quality = 0.194, support = 5.19, residual support = 28.8: HN SER 15 - QD1 ILE 14 100.000% *100.0000% (0.19 5.19 28.85) = 100.000% kept Peak 1658 (1.90, 3.85, 59.27 ppm): 12 chemical-shift based assignments, quality = 0.684, support = 1.61, residual support = 7.62: QB PHE 70 - HA GLU- 68 8.333% * 29.0341% (0.83 2.05 4.12) = 29.034% kept HB VAL 71 - HA GLU- 68 8.333% * 16.1987% (0.31 3.10 18.52) = 16.199% kept HB VAL 7 - HA GLU- 68 8.333% * 14.0259% (0.96 0.86 6.61) = 14.026% kept HB2 LYS+ 17 - HA SER 15 8.333% * 10.6439% (0.78 0.79 20.73) = 10.644% kept HB VAL 71 - HA SER 15 8.333% * 9.2003% (0.26 2.10 2.94) = 9.200% kept QB PHE 70 - HA SER 15 8.333% * 8.7904% (0.69 0.74 0.02) = 8.790% kept HB VAL 7 - HA SER 15 8.333% * 8.0815% (0.80 0.59 0.26) = 8.082% kept HB3 GLU- 59 - HA SER 15 8.333% * 1.6312% (0.81 0.12 0.02) = 1.631% kept HB2 LYS+ 17 - HA GLU- 68 8.333% * 1.4509% (0.94 0.09 0.02) = 1.451% kept QB LYS+ 80 - HA GLU- 68 8.333% * 0.3324% (0.97 0.02 0.02) = 0.332% HB3 GLU- 59 - HA GLU- 68 8.333% * 0.3324% (0.97 0.02 0.02) = 0.332% QB LYS+ 80 - HA SER 15 8.333% * 0.2782% (0.81 0.02 0.02) = 0.278% Peak 1659 (0.75, 3.85, 59.27 ppm): 8 chemical-shift based assignments, quality = 0.462, support = 3.68, residual support = 10.8: T QG2 VAL 71 - HA GLU- 68 12.500% * 51.4313% (0.48 10.00 5.16 18.52) = 51.431% kept T QG2 VAL 71 - HA SER 15 12.500% * 43.0445% (0.40 10.00 2.27 2.94) = 43.045% kept QG1 VAL 61 - HA GLU- 68 12.500% * 4.1972% (0.79 1.00 0.99 0.02) = 4.197% kept QG1 VAL 61 - HA SER 15 12.500% * 1.0375% (0.66 1.00 0.29 1.02) = 1.038% kept QD1 LEU 43 - HA GLU- 68 12.500% * 0.1020% (0.96 1.00 0.02 0.02) = 0.102% QD1 LEU 43 - HA SER 15 12.500% * 0.0853% (0.80 1.00 0.02 0.02) = 0.085% QG1 ILE 96 - HA GLU- 68 12.500% * 0.0556% (0.52 1.00 0.02 0.02) = 0.056% QG1 ILE 96 - HA SER 15 12.500% * 0.0465% (0.44 1.00 0.02 0.02) = 0.047% Peak 1660 (0.30, 3.85, 59.27 ppm): 2 chemical-shift based assignments, quality = 0.609, support = 1.67, residual support = 4.68: QG1 VAL 7 - HA GLU- 68 50.000% * 69.6481% (0.64 1.95 6.61) = 69.648% kept QG1 VAL 7 - HA SER 15 50.000% * 30.3519% (0.54 1.02 0.26) = 30.352% kept Peak 1661 (2.40, 3.85, 59.27 ppm): 8 chemical-shift based assignments, quality = 0.577, support = 3.27, residual support = 20.4: O T HG3 GLU- 68 - HA GLU- 68 12.500% * 66.0082% (0.41 10.0 10.00 3.84 29.14) = 66.008% kept HB2 GLN 8 - HA GLU- 68 12.500% * 23.0092% (0.99 1.0 1.00 2.87 4.95) = 23.009% kept HB3 ASP- 89 - HA GLU- 68 12.500% * 6.3229% (0.83 1.0 1.00 0.94 0.02) = 6.323% kept HB2 GLN 8 - HA SER 15 12.500% * 2.8094% (0.83 1.0 1.00 0.42 0.33) = 2.809% kept HE3 LYS+ 56 - HA GLU- 68 12.500% * 1.1303% (0.41 1.0 1.00 0.34 0.02) = 1.130% kept T HG3 GLU- 68 - HA SER 15 12.500% * 0.5524% (0.34 1.0 10.00 0.02 0.02) = 0.552% HB3 ASP- 89 - HA SER 15 12.500% * 0.1122% (0.69 1.0 1.00 0.02 0.02) = 0.112% HE3 LYS+ 56 - HA SER 15 12.500% * 0.0552% (0.34 1.0 1.00 0.02 0.37) = 0.055% Peak 1662 (7.43, 3.85, 59.27 ppm): 8 chemical-shift based assignments, quality = 0.551, support = 2.52, residual support = 12.2: HN VAL 71 - HA GLU- 68 12.500% * 58.4447% (0.64 3.26 18.52) = 58.445% kept HN VAL 71 - HA SER 15 12.500% * 23.6326% (0.54 1.58 2.94) = 23.633% kept HE21 GLN 8 - HA GLU- 68 12.500% * 14.0343% (0.31 1.64 4.95) = 14.034% kept HE21 GLN 8 - HA SER 15 12.500% * 2.7235% (0.26 0.38 0.33) = 2.723% kept HD21 ASN 75 - HA GLU- 68 12.500% * 0.5109% (0.91 0.02 0.02) = 0.511% HD21 ASN 75 - HA SER 15 12.500% * 0.4276% (0.77 0.02 0.02) = 0.428% HN GLU- 30 - HA GLU- 68 12.500% * 0.1232% (0.22 0.02 0.02) = 0.123% HN GLU- 30 - HA SER 15 12.500% * 0.1031% (0.18 0.02 0.02) = 0.103% Peak 1663 (7.71, 3.85, 59.27 ppm): 2 chemical-shift based assignments, quality = 0.797, support = 4.64, residual support = 13.8: HN LYS+ 72 - HA GLU- 68 50.000% * 76.9715% (0.83 5.44 17.79) = 76.972% kept HN LYS+ 72 - HA SER 15 50.000% * 23.0285% (0.69 1.95 0.49) = 23.028% kept Peak 1664 (9.43, 3.85, 59.27 ppm): 4 chemical-shift based assignments, quality = 0.278, support = 4.18, residual support = 28.4: O HN GLU- 68 - HA GLU- 68 25.000% * 97.4544% (0.28 10.0 4.28 29.14) = 97.454% kept HN TYR 97 - HA GLU- 68 25.000% * 2.3434% (0.41 1.0 0.33 0.30) = 2.343% kept HN TYR 97 - HA SER 15 25.000% * 0.1206% (0.34 1.0 0.02 0.02) = 0.121% HN GLU- 68 - HA SER 15 25.000% * 0.0816% (0.23 1.0 0.02 0.02) = 0.082% Peak 1665 (0.93, 4.14, 59.15 ppm): 5 chemical-shift based assignments, quality = 0.878, support = 3.09, residual support = 13.8: T QD1 LEU 26 - HA GLU- 16 20.000% * 96.3552% (0.90 10.00 3.18 14.14) = 96.355% kept HB3 ARG+ 48 - HA GLU- 16 20.000% * 1.3895% (0.30 1.00 0.86 0.02) = 1.389% kept QD2 LEU 26 - HA GLU- 16 20.000% * 1.3121% (0.17 1.00 1.44 14.14) = 1.312% kept QG2 VAL 52 - HA GLU- 16 20.000% * 0.9290% (0.24 1.00 0.71 0.33) = 0.929% QD2 LEU 82 - HA GLU- 16 20.000% * 0.0141% (0.13 1.00 0.02 0.41) = 0.014% Peak 1666 (7.06, 4.14, 59.15 ppm): 1 chemical-shift based assignment, quality = 0.961, support = 7.25, residual support = 68.4: O HN LYS+ 17 - HA GLU- 16 100.000% *100.0000% (0.96 10.0 7.25 68.39) = 100.000% kept Peak 1667 (8.92, 4.14, 59.15 ppm): 4 chemical-shift based assignments, quality = 0.788, support = 4.89, residual support = 59.2: O HN GLU- 16 - HA GLU- 16 25.000% * 91.4768% (0.78 10.0 5.28 64.66) = 91.477% kept HN ASP- 41 - HA GLU- 16 25.000% * 4.2827% (0.85 1.0 0.86 0.12) = 4.283% kept HN VAL 65 - HA GLU- 16 25.000% * 2.9604% (0.96 1.0 0.53 1.27) = 2.960% kept HN LEU 63 - HA GLU- 16 25.000% * 1.2802% (0.37 1.0 0.60 1.15) = 1.280% kept Peak 1668 (0.92, 2.10, 30.10 ppm): 3 chemical-shift based assignments, quality = 0.861, support = 2.81, residual support = 14.1: QD1 LEU 26 - HB2 GLU- 16 33.333% * 87.6640% (0.90 3.11 14.14) = 87.664% kept QD2 LEU 26 - HB2 GLU- 16 33.333% * 12.2001% (0.55 0.71 14.14) = 12.200% kept QD1 ILE 85 - HB2 GLU- 16 33.333% * 0.1358% (0.22 0.02 0.02) = 0.136% Peak 1669 (0.93, 1.93, 30.10 ppm): 5 chemical-shift based assignments, quality = 0.77, support = 2.72, residual support = 12.2: QD1 LEU 26 - HB3 GLU- 16 20.000% * 79.9751% (0.90 3.18 14.14) = 79.975% kept HB3 ARG+ 48 - HB3 GLU- 16 20.000% * 6.6352% (0.30 0.79 0.02) = 6.635% kept QD2 LEU 26 - HB3 GLU- 16 20.000% * 6.2416% (0.17 1.31 14.14) = 6.242% kept QG2 VAL 52 - HB3 GLU- 16 20.000% * 5.2985% (0.24 0.78 0.33) = 5.298% kept QD2 LEU 82 - HB3 GLU- 16 20.000% * 1.8496% (0.13 0.50 0.41) = 1.850% kept Peak 1670 (4.77, 1.93, 30.10 ppm): 3 chemical-shift based assignments, quality = 0.779, support = 0.169, residual support = 0.458: HA THR 64 - HB3 GLU- 16 33.333% * 90.3718% (0.82 0.19 0.50) = 90.372% kept HA LYS+ 55 - HB3 GLU- 16 33.333% * 5.2409% (0.44 0.02 0.02) = 5.241% kept HA ILE 85 - HB3 GLU- 16 33.333% * 4.3873% (0.37 0.02 0.02) = 4.387% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1671 (7.06, 1.93, 30.10 ppm): 1 chemical-shift based assignment, quality = 0.961, support = 7.19, residual support = 68.4: HN LYS+ 17 - HB3 GLU- 16 100.000% *100.0000% (0.96 7.19 68.39) = 100.000% kept Peak 1673 (7.06, 2.10, 30.10 ppm): 1 chemical-shift based assignment, quality = 0.961, support = 7.49, residual support = 68.4: HN LYS+ 17 - HB2 GLU- 16 100.000% *100.0000% (0.96 7.49 68.39) = 100.000% kept Peak 1674 (8.92, 2.10, 30.10 ppm): 4 chemical-shift based assignments, quality = 0.787, support = 5.08, residual support = 61.3: O HN GLU- 16 - HB2 GLU- 16 25.000% * 94.7938% (0.78 10.0 5.34 64.66) = 94.794% kept HN VAL 65 - HB2 GLU- 16 25.000% * 2.8850% (0.96 1.0 0.50 1.27) = 2.885% kept HN ASP- 41 - HB2 GLU- 16 25.000% * 1.7645% (0.85 1.0 0.34 0.12) = 1.764% kept HN LEU 63 - HB2 GLU- 16 25.000% * 0.5567% (0.37 1.0 0.25 1.15) = 0.557% Peak 1675 (8.92, 1.93, 30.10 ppm): 4 chemical-shift based assignments, quality = 0.791, support = 5.41, residual support = 57.1: O HN GLU- 16 - HB3 GLU- 16 25.000% * 88.1721% (0.78 10.0 5.96 64.66) = 88.172% kept HN VAL 65 - HB3 GLU- 16 25.000% * 8.2920% (0.96 1.0 1.54 1.27) = 8.292% kept HN LEU 63 - HB3 GLU- 16 25.000% * 2.1883% (0.37 1.0 1.06 1.15) = 2.188% kept HN ASP- 41 - HB3 GLU- 16 25.000% * 1.3476% (0.85 1.0 0.28 0.12) = 1.348% kept Peak 1676 (0.93, 2.29, 36.04 ppm): 15 chemical-shift based assignments, quality = 0.866, support = 2.9, residual support = 13.7: T QD1 LEU 26 - QG GLU- 16 6.667% * 95.4545% (0.90 10.00 3.02 14.14) = 95.454% kept QD2 LEU 26 - QG GLU- 16 6.667% * 1.2460% (0.17 1.00 1.38 14.14) = 1.246% kept HB3 ARG+ 48 - QG GLU- 16 6.667% * 0.9271% (0.30 1.00 0.58 0.02) = 0.927% QD1 LEU 26 - QG GLU- 59 6.667% * 0.8412% (0.07 1.00 2.31 3.93) = 0.841% T QD1 LEU 26 - HB VAL 40 6.667% * 0.7677% (0.73 10.00 0.02 0.02) = 0.768% QG2 VAL 52 - QG GLU- 16 6.667% * 0.6127% (0.24 1.00 0.48 0.33) = 0.613% QD2 LEU 26 - QG GLU- 59 6.667% * 0.0591% (0.01 1.00 0.85 3.93) = 0.059% HB3 ARG+ 48 - HB VAL 40 6.667% * 0.0257% (0.24 1.00 0.02 0.15) = 0.026% QG2 VAL 52 - HB VAL 40 6.667% * 0.0207% (0.20 1.00 0.02 12.21) = 0.021% QD2 LEU 26 - HB VAL 40 6.667% * 0.0146% (0.14 1.00 0.02 0.02) = 0.015% QD2 LEU 82 - QG GLU- 16 6.667% * 0.0140% (0.13 1.00 0.02 0.41) = 0.014% QD2 LEU 82 - HB VAL 40 6.667% * 0.0113% (0.11 1.00 0.02 0.02) = 0.011% HB3 ARG+ 48 - QG GLU- 59 6.667% * 0.0024% (0.02 1.00 0.02 0.02) = 0.002% QG2 VAL 52 - QG GLU- 59 6.667% * 0.0020% (0.02 1.00 0.02 0.02) = 0.002% QD2 LEU 82 - QG GLU- 59 6.667% * 0.0011% (0.01 1.00 0.02 0.02) = 0.001% Peak 1677 (7.06, 2.29, 36.04 ppm): 3 chemical-shift based assignments, quality = 0.942, support = 6.42, residual support = 61.4: HN LYS+ 17 - QG GLU- 16 33.333% * 89.8279% (0.96 7.04 68.39) = 89.828% kept HN LYS+ 17 - HB VAL 40 33.333% * 10.1526% (0.77 0.99 0.10) = 10.153% kept HN LYS+ 17 - QG GLU- 59 33.333% * 0.0195% (0.07 0.02 0.02) = 0.019% Peak 1678 (8.92, 2.29, 36.04 ppm): 12 chemical-shift based assignments, quality = 0.729, support = 3.98, residual support = 32.0: HN GLU- 16 - QG GLU- 16 8.333% * 40.1160% (0.78 5.61 64.66) = 40.116% kept HN ASP- 41 - HB VAL 40 8.333% * 29.0654% (0.68 4.67 18.78) = 29.065% kept HN VAL 65 - HB VAL 40 8.333% * 11.5553% (0.77 1.64 2.79) = 11.555% kept HN GLU- 16 - HB VAL 40 8.333% * 8.5678% (0.63 1.49 2.72) = 8.568% kept HN VAL 65 - QG GLU- 16 8.333% * 3.9801% (0.96 0.45 1.27) = 3.980% kept HN LEU 63 - HB VAL 40 8.333% * 2.5262% (0.30 0.94 0.80) = 2.526% kept HN ASP- 41 - QG GLU- 16 8.333% * 2.2796% (0.85 0.29 0.12) = 2.280% kept HN LEU 63 - QG GLU- 16 8.333% * 1.8684% (0.37 0.56 1.15) = 1.868% kept HN VAL 65 - QG GLU- 59 8.333% * 0.0134% (0.07 0.02 0.02) = 0.013% HN ASP- 41 - QG GLU- 59 8.333% * 0.0118% (0.06 0.02 0.02) = 0.012% HN GLU- 16 - QG GLU- 59 8.333% * 0.0109% (0.06 0.02 0.02) = 0.011% HN LEU 63 - QG GLU- 59 8.333% * 0.0051% (0.03 0.02 0.02) = 0.005% Peak 1679 (3.52, 3.52, 62.90 ppm): 1 diagonal assignment: * HB3 SER 15 - HB3 SER 15 (1.00) kept Peak 1682 (3.52, 4.00, 62.90 ppm): 5 chemical-shift based assignments, quality = 0.865, support = 3.17, residual support = 18.0: O HB3 SER 15 - HB2 SER 15 20.000% * 96.2871% (0.87 10.0 3.27 18.71) = 96.287% kept HA GLU- 23 - HB2 SER 15 20.000% * 3.1880% (0.98 1.0 0.59 0.02) = 3.188% kept HA LEU 76 - HB2 SER 15 20.000% * 0.3991% (0.89 1.0 0.08 0.02) = 0.399% QB SER 49 - HB2 SER 15 20.000% * 0.0673% (0.61 1.0 0.02 0.44) = 0.067% HD3 PRO 37 - HB2 SER 15 20.000% * 0.0584% (0.52 1.0 0.02 0.02) = 0.058% Peak 1683 (3.52, 3.52, 62.90 ppm): 1 diagonal assignment: * HB3 SER 15 - HB3 SER 15 (1.00) kept Peak 1684 (7.06, 3.52, 62.90 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 6.94, residual support = 20.7: HN LYS+ 17 - HB3 SER 15 100.000% *100.0000% (0.98 6.94 20.73) = 100.000% kept Peak 1685 (7.24, 3.52, 62.90 ppm): 2 chemical-shift based assignments, quality = 0.487, support = 2.36, residual support = 26.3: HN ILE 14 - HB3 SER 15 50.000% * 90.8814% (0.49 2.57 28.85) = 90.881% kept HN SER 49 - HB3 SER 15 50.000% * 9.1186% (0.49 0.26 0.44) = 9.119% kept Peak 1686 (10.14, 3.52, 62.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1687 (4.31, 4.00, 62.90 ppm): 5 chemical-shift based assignments, quality = 0.485, support = 0.257, residual support = 0.123: HA PRO 12 - HB2 SER 15 20.000% * 72.0684% (0.37 0.35 0.16) = 72.068% kept HA ALA 2 - HB2 SER 15 20.000% * 10.4005% (0.94 0.02 0.02) = 10.400% kept HA PHE 28 - HB2 SER 15 20.000% * 9.8603% (0.89 0.02 0.02) = 9.860% kept HA ASP- 73 - HB2 SER 15 20.000% * 4.9292% (0.45 0.02 0.02) = 4.929% kept HB THR 4 - HB2 SER 15 20.000% * 2.7415% (0.25 0.02 0.02) = 2.742% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1688 (4.79, 4.00, 62.90 ppm): 2 chemical-shift based assignments, quality = 0.671, support = 1.65, residual support = 1.6: HA THR 64 - HB2 SER 15 50.000% * 53.1062% (0.96 0.97 0.98) = 53.106% kept HA TYR 81 - HB2 SER 15 50.000% * 46.8938% (0.34 2.42 2.31) = 46.894% kept Peak 1689 (7.07, 4.00, 62.90 ppm): 1 chemical-shift based assignment, quality = 0.605, support = 5.3, residual support = 20.7: HN LYS+ 17 - HB2 SER 15 100.000% *100.0000% (0.61 5.30 20.73) = 100.000% kept Peak 1690 (7.23, 4.00, 62.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1691 (8.72, 4.00, 62.90 ppm): 7 chemical-shift based assignments, quality = 0.612, support = 1.33, residual support = 3.41: HN ASP- 78 - HB2 SER 15 14.286% * 38.8555% (0.52 1.74 8.16) = 38.855% kept HN PHE 13 - HB2 SER 15 14.286% * 31.0944% (0.49 1.50 0.33) = 31.094% kept HN LEU 82 - HB2 SER 15 14.286% * 27.3935% (0.92 0.70 0.48) = 27.393% kept HN GLY 27 - HB2 SER 15 14.286% * 1.3344% (0.34 0.09 0.02) = 1.334% kept HN LYS+ 56 - HB2 SER 15 14.286% * 0.8428% (0.99 0.02 0.37) = 0.843% HN MET 10 - HB2 SER 15 14.286% * 0.2901% (0.34 0.02 0.02) = 0.290% HN GLY 98 - HB2 SER 15 14.286% * 0.1893% (0.22 0.02 0.02) = 0.189% Peak 1692 (8.91, 4.00, 62.90 ppm): 4 chemical-shift based assignments, quality = 0.934, support = 4.94, residual support = 21.0: HN GLU- 16 - HB2 SER 15 25.000% * 75.7904% (0.99 6.06 27.46) = 75.790% kept HN LEU 63 - HB2 SER 15 25.000% * 17.7328% (0.83 1.68 1.16) = 17.733% kept HN VAL 65 - HB2 SER 15 25.000% * 6.0259% (0.61 0.79 0.17) = 6.026% kept HN ASP- 41 - HB2 SER 15 25.000% * 0.4509% (0.41 0.09 0.02) = 0.451% Peak 1693 (10.13, 4.00, 62.90 ppm): 1 chemical-shift based assignment, quality = 0.197, support = 4.48, residual support = 18.7: O HN SER 15 - HB2 SER 15 100.000% *100.0000% (0.20 10.0 4.48 18.71) = 100.000% kept Peak 1694 (7.07, 1.90, 34.94 ppm): 1 chemical-shift based assignment, quality = 0.673, support = 9.09, residual support = 220.8: O HN LYS+ 17 - HB2 LYS+ 17 100.000% *100.0000% (0.67 10.0 9.09 220.78) = 100.000% kept Peak 1695 (8.01, 1.90, 34.94 ppm): 8 chemical-shift based assignments, quality = 0.83, support = 5.52, residual support = 37.1: HN SER 18 - HB2 LYS+ 17 12.500% * 62.6525% (0.78 7.97 57.59) = 62.652% kept HN LEU 26 - HB2 LYS+ 17 12.500% * 16.4011% (0.95 1.73 5.53) = 16.401% kept HD21 ASN 69 - HB2 LYS+ 17 12.500% * 10.4922% (0.85 1.23 0.80) = 10.492% kept HN ASP- 44 - HB2 LYS+ 17 12.500% * 10.1710% (0.93 1.10 0.58) = 10.171% kept HN ALA 34 - HB2 LYS+ 17 12.500% * 0.1111% (0.55 0.02 0.02) = 0.111% HN THR 4 - HB2 LYS+ 17 12.500% * 0.0955% (0.48 0.02 0.02) = 0.096% HN PHE 28 - HB2 LYS+ 17 12.500% * 0.0437% (0.22 0.02 0.02) = 0.044% HN ARG+ 48 - HB2 LYS+ 17 12.500% * 0.0329% (0.16 0.02 0.73) = 0.033% Peak 1696 (7.06, 1.80, 34.94 ppm): 2 chemical-shift based assignments, quality = 0.978, support = 8.29, residual support = 220.7: O HN LYS+ 17 - HB3 LYS+ 17 50.000% * 99.9794% (0.98 10.0 8.29 220.78) = 99.979% kept HN LYS+ 17 - HB3 LYS+ 20 50.000% * 0.0206% (0.20 1.0 0.02 0.10) = 0.021% Peak 1697 (8.01, 1.80, 34.94 ppm): 16 chemical-shift based assignments, quality = 0.829, support = 5.07, residual support = 37.2: HN SER 18 - HB3 LYS+ 17 6.250% * 62.7857% (0.78 7.33 57.59) = 62.786% kept HN LEU 26 - HB3 LYS+ 17 6.250% * 15.9017% (0.95 1.54 5.53) = 15.902% kept HN ASP- 44 - HB3 LYS+ 17 6.250% * 11.1568% (0.93 1.10 0.58) = 11.157% kept HD21 ASN 69 - HB3 LYS+ 17 6.250% * 9.6253% (0.85 1.04 0.80) = 9.625% kept HN ALA 34 - HB3 LYS+ 17 6.250% * 0.1212% (0.55 0.02 0.02) = 0.121% HN THR 4 - HB3 LYS+ 17 6.250% * 0.1042% (0.48 0.02 0.02) = 0.104% HN PHE 28 - HB3 LYS+ 17 6.250% * 0.0476% (0.22 0.02 0.02) = 0.048% HN LEU 26 - HB3 LYS+ 20 6.250% * 0.0426% (0.20 0.02 0.02) = 0.043% HN ASP- 44 - HB3 LYS+ 20 6.250% * 0.0417% (0.19 0.02 0.02) = 0.042% HD21 ASN 69 - HB3 LYS+ 20 6.250% * 0.0383% (0.18 0.02 0.94) = 0.038% HN ARG+ 48 - HB3 LYS+ 17 6.250% * 0.0358% (0.16 0.02 0.73) = 0.036% HN SER 18 - HB3 LYS+ 20 6.250% * 0.0353% (0.16 0.02 1.26) = 0.035% HN ALA 34 - HB3 LYS+ 20 6.250% * 0.0250% (0.11 0.02 0.02) = 0.025% HN THR 4 - HB3 LYS+ 20 6.250% * 0.0215% (0.10 0.02 0.28) = 0.021% HN PHE 28 - HB3 LYS+ 20 6.250% * 0.0098% (0.05 0.02 0.02) = 0.010% HN ARG+ 48 - HB3 LYS+ 20 6.250% * 0.0074% (0.03 0.02 0.02) = 0.007% Peak 1698 (7.04, 1.37, 25.04 ppm): 2 chemical-shift based assignments, quality = 0.726, support = 8.13, residual support = 212.8: HN LYS+ 17 - HG2 LYS+ 17 50.000% * 96.3305% (0.75 8.37 220.78) = 96.331% kept HN LYS+ 17 - QG LYS+ 55 50.000% * 3.6695% (0.13 1.79 3.66) = 3.669% kept Peak 1699 (8.01, 1.37, 25.04 ppm): 16 chemical-shift based assignments, quality = 0.804, support = 5.05, residual support = 35.5: HN SER 18 - HG2 LYS+ 17 6.250% * 59.7753% (0.78 7.52 57.59) = 59.775% kept HN LEU 26 - HG2 LYS+ 17 6.250% * 16.7100% (0.95 1.75 5.53) = 16.710% kept HD21 ASN 69 - HG2 LYS+ 17 6.250% * 10.3488% (0.85 1.20 0.80) = 10.349% kept HN ASP- 44 - HG2 LYS+ 17 6.250% * 9.1454% (0.93 0.97 0.58) = 9.145% kept HN SER 18 - QG LYS+ 55 6.250% * 2.6454% (0.14 1.87 0.93) = 2.645% kept HN ASP- 44 - QG LYS+ 55 6.250% * 0.9732% (0.16 0.58 0.02) = 0.973% HN ALA 34 - HG2 LYS+ 17 6.250% * 0.1123% (0.55 0.02 0.02) = 0.112% HN THR 4 - HG2 LYS+ 17 6.250% * 0.0966% (0.48 0.02 0.02) = 0.097% HN PHE 28 - HG2 LYS+ 17 6.250% * 0.0442% (0.22 0.02 0.02) = 0.044% HN LEU 26 - QG LYS+ 55 6.250% * 0.0340% (0.17 0.02 0.02) = 0.034% HN ARG+ 48 - HG2 LYS+ 17 6.250% * 0.0332% (0.16 0.02 0.73) = 0.033% HD21 ASN 69 - QG LYS+ 55 6.250% * 0.0306% (0.15 0.02 0.02) = 0.031% HN ALA 34 - QG LYS+ 55 6.250% * 0.0200% (0.10 0.02 0.02) = 0.020% HN THR 4 - QG LYS+ 55 6.250% * 0.0172% (0.08 0.02 0.22) = 0.017% HN PHE 28 - QG LYS+ 55 6.250% * 0.0078% (0.04 0.02 0.02) = 0.008% HN ARG+ 48 - QG LYS+ 55 6.250% * 0.0059% (0.03 0.02 0.02) = 0.006% Peak 1700 (7.04, 1.50, 25.04 ppm): 1 chemical-shift based assignment, quality = 0.749, support = 8.57, residual support = 220.8: HN LYS+ 17 - HG3 LYS+ 17 100.000% *100.0000% (0.75 8.57 220.78) = 100.000% kept Peak 1701 (8.01, 1.50, 25.04 ppm): 8 chemical-shift based assignments, quality = 0.825, support = 5.01, residual support = 34.8: HN SER 18 - HG3 LYS+ 17 12.500% * 58.5698% (0.78 7.57 57.59) = 58.570% kept HN LEU 26 - HG3 LYS+ 17 12.500% * 16.7707% (0.95 1.80 5.53) = 16.771% kept HD21 ASN 69 - HG3 LYS+ 17 12.500% * 10.9236% (0.85 1.30 0.80) = 10.924% kept HN ASP- 44 - HG3 LYS+ 17 12.500% * 10.3899% (0.93 1.14 0.58) = 10.390% kept HN ALA 34 - HG3 LYS+ 17 12.500% * 3.1767% (0.55 0.58 0.02) = 3.177% kept HN THR 4 - HG3 LYS+ 17 12.500% * 0.0941% (0.48 0.02 0.02) = 0.094% HN PHE 28 - HG3 LYS+ 17 12.500% * 0.0430% (0.22 0.02 0.02) = 0.043% HN ARG+ 48 - HG3 LYS+ 17 12.500% * 0.0324% (0.16 0.02 0.73) = 0.032% Peak 1702 (8.02, 6.00, 57.88 ppm): 9 chemical-shift based assignments, quality = 0.394, support = 4.77, residual support = 37.7: O HN SER 18 - HA SER 18 11.111% * 84.5507% (0.33 10.0 5.50 44.36) = 84.551% kept HN LEU 26 - HA SER 18 11.111% * 10.8210% (0.85 1.0 1.01 1.77) = 10.821% kept HN ASP- 44 - HA SER 18 11.111% * 2.2735% (0.52 1.0 0.35 0.02) = 2.273% kept HD21 ASN 69 - HA SER 18 11.111% * 1.9598% (0.40 1.0 0.38 0.02) = 1.960% kept HN PHE 28 - HA SER 18 11.111% * 0.1603% (0.63 1.0 0.02 0.02) = 0.160% HN ASP- 87 - HA SER 18 11.111% * 0.0846% (0.33 1.0 0.02 0.02) = 0.085% HN ARG+ 48 - HA SER 18 11.111% * 0.0732% (0.29 1.0 0.02 1.66) = 0.073% HN ALA 34 - HA SER 18 11.111% * 0.0434% (0.17 1.0 0.02 0.02) = 0.043% HN THR 4 - HA SER 18 11.111% * 0.0335% (0.13 1.0 0.02 0.02) = 0.034% Peak 1703 (8.21, 6.00, 57.88 ppm): 5 chemical-shift based assignments, quality = 0.952, support = 4.24, residual support = 14.6: O HN SER 19 - HA SER 18 20.000% * 93.5143% (0.98 10.0 4.45 15.60) = 93.514% kept HN ILE 96 - HA SER 18 20.000% * 4.4817% (0.78 1.0 1.19 0.41) = 4.482% kept HN SER 21 - HA SER 18 20.000% * 1.4811% (0.17 1.0 1.80 1.80) = 1.481% kept HN GLU- 6 - HA SER 18 20.000% * 0.5019% (0.88 1.0 0.12 0.02) = 0.502% HN ILE 38 - HA SER 18 20.000% * 0.0209% (0.22 1.0 0.02 0.02) = 0.021% Peak 1704 (8.32, 6.00, 57.88 ppm): 5 chemical-shift based assignments, quality = 0.341, support = 0.599, residual support = 0.829: HN LYS+ 20 - HA SER 18 20.000% * 63.0799% (0.27 0.84 1.26) = 63.080% kept HN ILE 24 - HA SER 18 20.000% * 28.7579% (0.44 0.24 0.10) = 28.758% kept HN GLY 5 - HA SER 18 20.000% * 3.4992% (0.63 0.02 0.02) = 3.499% kept HN VAL 7 - HA SER 18 20.000% * 2.6329% (0.48 0.02 0.02) = 2.633% kept HN ALA 2 - HA SER 18 20.000% * 2.0301% (0.37 0.02 0.02) = 2.030% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1705 (4.79, 3.19, 64.60 ppm): 3 chemical-shift based assignments, quality = 0.616, support = 0.661, residual support = 0.672: HA THR 64 - HB3 SER 18 33.333% * 44.0304% (0.72 0.62 0.82) = 44.030% kept HA TYR 81 - HB3 SER 18 33.333% * 43.2712% (0.64 0.68 0.64) = 43.271% kept HA TRP 50 - HB3 SER 18 33.333% * 12.6984% (0.17 0.74 0.28) = 12.698% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1706 (7.04, 3.19, 64.60 ppm): 1 chemical-shift based assignment, quality = 0.757, support = 5.19, residual support = 57.6: HN LYS+ 17 - HB3 SER 18 100.000% *100.0000% (0.76 5.19 57.59) = 100.000% kept Peak 1707 (7.26, 3.19, 64.60 ppm): 2 chemical-shift based assignments, quality = 0.938, support = 1.81, residual support = 5.96: HN SER 49 - HB3 SER 18 50.000% * 50.3808% (0.94 1.82 3.68) = 50.381% kept HN ILE 14 - HB3 SER 18 50.000% * 49.6192% (0.94 1.80 8.27) = 49.619% kept Peak 1708 (8.02, 3.19, 64.60 ppm): 9 chemical-shift based assignments, quality = 0.39, support = 4.26, residual support = 38.3: O HN SER 18 - HB3 SER 18 11.111% * 86.0726% (0.34 10.0 4.84 44.36) = 86.073% kept HN LEU 26 - HB3 SER 18 11.111% * 9.2157% (0.86 1.0 0.84 1.77) = 9.216% kept HN ASP- 44 - HB3 SER 18 11.111% * 2.3144% (0.52 1.0 0.35 0.02) = 2.314% kept HD21 ASN 69 - HB3 SER 18 11.111% * 1.9950% (0.41 1.0 0.38 0.02) = 1.995% kept HN PHE 28 - HB3 SER 18 11.111% * 0.1632% (0.64 1.0 0.02 0.02) = 0.163% HN ASP- 87 - HB3 SER 18 11.111% * 0.0861% (0.34 1.0 0.02 0.02) = 0.086% HN ARG+ 48 - HB3 SER 18 11.111% * 0.0745% (0.29 1.0 0.02 1.66) = 0.075% HN ALA 34 - HB3 SER 18 11.111% * 0.0442% (0.17 1.0 0.02 0.02) = 0.044% HN THR 4 - HB3 SER 18 11.111% * 0.0341% (0.13 1.0 0.02 0.02) = 0.034% Peak 1709 (7.04, 4.52, 64.60 ppm): 1 chemical-shift based assignment, quality = 0.738, support = 5.71, residual support = 57.6: HN LYS+ 17 - HB2 SER 18 100.000% *100.0000% (0.74 5.71 57.59) = 100.000% kept Peak 1710 (1.46, 2.00, 35.12 ppm): 7 chemical-shift based assignments, quality = 0.856, support = 0.986, residual support = 0.938: HG3 LYS+ 72 - HB2 LYS+ 20 14.286% * 46.5683% (0.97 1.29 1.04) = 46.568% kept HB3 GLU- 23 - HB2 LYS+ 20 14.286% * 26.6330% (0.93 0.77 1.05) = 26.633% kept HB2 LEU 63 - HB2 LYS+ 20 14.286% * 16.8053% (0.52 0.88 1.02) = 16.805% kept HB3 PHE 84 - HB2 LYS+ 20 14.286% * 9.2816% (0.75 0.33 0.02) = 9.282% kept HB3 ASN 74 - HB2 LYS+ 20 14.286% * 0.3263% (0.44 0.02 0.02) = 0.326% HG2 ARG+ 48 - HB2 LYS+ 20 14.286% * 0.2732% (0.37 0.02 0.02) = 0.273% HG12 ILE 95 - HB2 LYS+ 20 14.286% * 0.1123% (0.15 0.02 0.02) = 0.112% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1711 (4.09, 1.78, 35.12 ppm): 4 chemical-shift based assignments, quality = 0.144, support = 0.296, residual support = 0.458: HA GLU- 30 - HB3 LYS+ 20 25.000% * 64.6174% (0.17 0.30 0.27) = 64.617% kept HA GLU- 30 - HB3 LYS+ 17 25.000% * 27.1790% (0.06 0.36 0.98) = 27.179% kept HA ARG+ 48 - HB3 LYS+ 20 25.000% * 6.0699% (0.24 0.02 0.02) = 6.070% kept HA ARG+ 48 - HB3 LYS+ 17 25.000% * 2.1338% (0.09 0.02 0.73) = 2.134% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1712 (7.48, 1.78, 35.12 ppm): 12 chemical-shift based assignments, quality = 0.622, support = 0.753, residual support = 2.66: HN THR 39 - HB3 LYS+ 20 8.333% * 50.3215% (0.95 0.55 0.56) = 50.321% kept HN LEU 76 - HB3 LYS+ 17 8.333% * 33.5884% (0.26 1.31 6.87) = 33.588% kept HN GLU- 30 - HB3 LYS+ 17 8.333% * 6.1886% (0.12 0.54 0.98) = 6.189% kept HN GLU- 30 - HB3 LYS+ 20 8.333% * 2.4607% (0.33 0.08 0.27) = 2.461% kept HN TYR 31 - HB3 LYS+ 20 8.333% * 1.8867% (0.97 0.02 0.02) = 1.887% kept HN LYS+ 60 - HB3 LYS+ 20 8.333% * 1.5900% (0.82 0.02 0.02) = 1.590% kept HN LEU 76 - HB3 LYS+ 20 8.333% * 1.4547% (0.75 0.02 0.02) = 1.455% kept HN TYR 31 - HB3 LYS+ 17 8.333% * 0.6632% (0.34 0.02 0.02) = 0.663% HN THR 39 - HB3 LYS+ 17 8.333% * 0.6458% (0.33 0.02 0.02) = 0.646% HN LYS+ 60 - HB3 LYS+ 17 8.333% * 0.5589% (0.29 0.02 0.38) = 0.559% HE21 GLN 8 - HB3 LYS+ 20 8.333% * 0.4746% (0.24 0.02 0.29) = 0.475% HE21 GLN 8 - HB3 LYS+ 17 8.333% * 0.1669% (0.09 0.02 0.15) = 0.167% Peak 1714 (8.33, 1.78, 35.12 ppm): 6 chemical-shift based assignments, quality = 0.737, support = 3.16, residual support = 22.3: O HN LYS+ 20 - HB3 LYS+ 20 16.667% * 97.8630% (0.75 10.0 3.21 22.75) = 97.863% kept HN LYS+ 20 - HB3 LYS+ 17 16.667% * 1.5228% (0.26 1.0 0.89 0.10) = 1.523% kept HN ILE 24 - HB3 LYS+ 17 16.667% * 0.3233% (0.32 1.0 0.16 3.63) = 0.323% HN GLY 5 - HB3 LYS+ 20 16.667% * 0.1278% (0.98 1.0 0.02 0.02) = 0.128% HN ILE 24 - HB3 LYS+ 20 16.667% * 0.1182% (0.90 1.0 0.02 3.50) = 0.118% HN GLY 5 - HB3 LYS+ 17 16.667% * 0.0449% (0.34 1.0 0.02 0.02) = 0.045% Peak 1715 (8.36, 2.00, 35.12 ppm): 3 chemical-shift based assignments, quality = 0.67, support = 3.69, residual support = 22.5: O HN LYS+ 20 - HB2 LYS+ 20 33.333% * 98.6287% (0.67 10.0 3.73 22.75) = 98.629% kept HN ILE 24 - HB2 LYS+ 20 33.333% * 1.3270% (0.48 1.0 0.38 3.50) = 1.327% kept HN GLY 5 - HB2 LYS+ 20 33.333% * 0.0443% (0.30 1.0 0.02 0.02) = 0.044% Peak 1716 (4.79, 3.90, 66.29 ppm): 3 chemical-shift based assignments, quality = 0.652, support = 1.73, residual support = 2.42: HA THR 64 - HB2 SER 21 33.333% * 49.7766% (0.72 1.80 2.81) = 49.777% kept HA TYR 81 - HB2 SER 21 33.333% * 43.2864% (0.65 1.76 2.15) = 43.286% kept HA TRP 50 - HB2 SER 21 33.333% * 6.9369% (0.17 1.04 1.38) = 6.937% kept Peak 1717 (3.87, 3.90, 66.29 ppm): 1 diagonal assignment: HB2 SER 21 - HB2 SER 21 (0.22) kept Peak 1718 (4.79, 3.82, 66.29 ppm): 3 chemical-shift based assignments, quality = 0.675, support = 2.06, residual support = 2.53: HA THR 64 - HB3 SER 21 33.333% * 62.7543% (0.72 2.47 2.81) = 62.754% kept HA TYR 81 - HB3 SER 21 33.333% * 33.0643% (0.65 1.46 2.15) = 33.064% kept HA TRP 50 - HB3 SER 21 33.333% * 4.1814% (0.17 0.68 1.38) = 4.181% kept Peak 1719 (3.87, 3.82, 66.29 ppm): 7 chemical-shift based assignments, quality = 0.279, support = 2.41, residual support = 6.46: T HA GLU- 68 - HB3 SER 21 14.286% * 54.0401% (0.31 1.0 10.00 2.01 2.14) = 54.040% kept O HB2 SER 21 - HB3 SER 21 14.286% * 38.9804% (0.22 10.0 1.00 3.19 13.50) = 38.980% kept HA VAL 65 - HB3 SER 21 14.286% * 4.9610% (0.37 1.0 1.00 1.51 0.79) = 4.961% kept T HA SER 15 - HB3 SER 21 14.286% * 1.1326% (0.65 1.0 10.00 0.02 0.02) = 1.133% kept T HA2 GLY 27 - HB3 SER 21 14.286% * 0.6571% (0.37 1.0 10.00 0.02 0.02) = 0.657% HA MET 101 - HB3 SER 21 14.286% * 0.1747% (1.00 1.0 1.00 0.02 0.02) = 0.175% QD PRO 12 - HB3 SER 21 14.286% * 0.0540% (0.31 1.0 1.00 0.02 0.12) = 0.054% Peak 1720 (2.51, 3.82, 66.29 ppm): 4 chemical-shift based assignments, quality = 0.728, support = 1.16, residual support = 2.04: T HG2 GLU- 68 - HB3 SER 21 25.000% * 94.7752% (0.72 10.00 1.20 2.14) = 94.775% kept HB2 ARG+ 90 - HB3 SER 21 25.000% * 3.3054% (0.89 1.00 0.34 0.18) = 3.305% kept QB PHE 62 - HB3 SER 21 25.000% * 1.8765% (0.65 1.00 0.27 0.02) = 1.876% kept HB3 ASN 75 - HB3 SER 21 25.000% * 0.0429% (0.20 1.00 0.02 0.02) = 0.043% Peak 1721 (2.51, 3.90, 66.29 ppm): 4 chemical-shift based assignments, quality = 0.782, support = 0.629, residual support = 1.29: HG2 GLU- 68 - HB2 SER 21 25.000% * 56.8864% (0.72 0.81 2.14) = 56.886% kept HB2 ARG+ 90 - HB2 SER 21 25.000% * 37.8120% (0.89 0.44 0.18) = 37.812% kept QB PHE 62 - HB2 SER 21 25.000% * 4.9187% (0.65 0.08 0.02) = 4.919% kept HB3 ASN 75 - HB2 SER 21 25.000% * 0.3830% (0.20 0.02 0.02) = 0.383% Peak 1722 (1.99, 3.90, 66.29 ppm): 4 chemical-shift based assignments, quality = 0.673, support = 1.92, residual support = 5.1: HB2 LYS+ 20 - HB2 SER 21 25.000% * 50.4416% (0.61 2.70 9.26) = 50.442% kept HB VAL 65 - HB2 SER 21 25.000% * 29.3094% (0.89 1.06 0.79) = 29.309% kept HB3 GLN 83 - HB2 SER 21 25.000% * 20.1119% (0.52 1.24 1.00) = 20.112% kept HB3 MET 1 - HB2 SER 21 25.000% * 0.1370% (0.22 0.02 0.02) = 0.137% Peak 1723 (0.95, 3.90, 66.29 ppm): 7 chemical-shift based assignments, quality = 0.942, support = 1.38, residual support = 1.99: HB3 ARG+ 48 - HB2 SER 21 14.286% * 39.4748% (1.00 1.86 4.19) = 39.475% kept QD2 LEU 82 - HB2 SER 21 14.286% * 29.7540% (0.92 1.52 0.87) = 29.754% kept QG2 VAL 52 - HB2 SER 21 14.286% * 16.2919% (1.00 0.77 0.41) = 16.292% kept HG3 LYS+ 56 - HB2 SER 21 14.286% * 8.9039% (0.80 0.52 0.02) = 8.904% kept QG2 ILE 14 - HB2 SER 21 14.286% * 5.4435% (0.76 0.34 0.20) = 5.443% kept QG2 ILE 85 - HB2 SER 21 14.286% * 0.0744% (0.17 0.02 0.02) = 0.074% QD1 LEU 26 - HB2 SER 21 14.286% * 0.0575% (0.14 0.02 0.02) = 0.058% Peak 1724 (0.93, 3.82, 66.29 ppm): 5 chemical-shift based assignments, quality = 0.271, support = 1.46, residual support = 2.66: HB3 ARG+ 48 - HB3 SER 21 20.000% * 57.1256% (0.31 1.76 4.19) = 57.126% kept QD2 LEU 82 - HB3 SER 21 20.000% * 20.9445% (0.14 1.47 0.87) = 20.945% kept QG2 VAL 52 - HB3 SER 21 20.000% * 19.6147% (0.25 0.75 0.41) = 19.615% kept QD1 LEU 26 - HB3 SER 21 20.000% * 1.9460% (0.92 0.02 0.02) = 1.946% kept QD2 LEU 26 - HB3 SER 21 20.000% * 0.3692% (0.17 0.02 0.02) = 0.369% Peak 1725 (8.10, 3.82, 66.29 ppm): 3 chemical-shift based assignments, quality = 0.494, support = 2.57, residual support = 6.23: HN LEU 22 - HB3 SER 21 33.333% * 52.1695% (0.34 3.75 8.58) = 52.170% kept HN ARG+ 48 - HB3 SER 21 33.333% * 41.2633% (0.73 1.39 4.19) = 41.263% kept HN ASP- 89 - HB3 SER 21 33.333% * 6.5671% (0.25 0.65 0.44) = 6.567% kept Peak 1726 (8.10, 3.90, 66.29 ppm): 3 chemical-shift based assignments, quality = 0.487, support = 2.57, residual support = 6.32: HN LEU 22 - HB2 SER 21 33.333% * 54.1179% (0.34 3.75 8.58) = 54.118% kept HN ARG+ 48 - HB2 SER 21 33.333% * 39.4222% (0.73 1.28 4.19) = 39.422% kept HN ASP- 89 - HB2 SER 21 33.333% * 6.4598% (0.25 0.61 0.44) = 6.460% kept Peak 1727 (1.26, -0.47, 43.84 ppm): 5 chemical-shift based assignments, quality = 0.388, support = 2.56, residual support = 19.6: QD1 LEU 82 - HB3 LEU 22 20.000% * 35.9291% (0.48 2.79 16.86) = 35.929% kept HB3 LEU 82 - HB3 LEU 22 20.000% * 33.0295% (0.44 2.79 16.86) = 33.029% kept HB3 LEU 63 - HB3 LEU 22 20.000% * 15.5805% (0.22 2.65 46.03) = 15.581% kept HD2 LYS+ 56 - HB3 LEU 22 20.000% * 11.5561% (0.27 1.57 5.47) = 11.556% kept HB3 LYS+ 56 - HB3 LEU 22 20.000% * 3.9048% (0.15 0.96 5.47) = 3.905% kept Peak 1728 (1.45, -0.47, 43.84 ppm): 6 chemical-shift based assignments, quality = 0.88, support = 3.34, residual support = 44.0: T HB2 LEU 63 - HB3 LEU 22 16.667% * 84.6999% (0.93 10.00 3.32 46.03) = 84.700% kept HB3 GLU- 23 - HB3 LEU 22 16.667% * 10.6464% (0.52 1.00 4.52 46.99) = 10.646% kept HB3 ASN 74 - HB3 LEU 22 16.667% * 4.5344% (0.88 1.00 1.13 0.81) = 4.534% kept HG3 LYS+ 72 - HB3 LEU 22 16.667% * 0.0717% (0.78 1.00 0.02 2.01) = 0.072% HB3 PHE 84 - HB3 LEU 22 16.667% * 0.0276% (0.30 1.00 0.02 0.02) = 0.028% HG13 ILE 38 - HB3 LEU 22 16.667% * 0.0199% (0.22 1.00 0.02 0.02) = 0.020% Peak 1729 (1.26, 0.65, 43.84 ppm): 5 chemical-shift based assignments, quality = 0.405, support = 2.08, residual support = 18.9: QD1 LEU 82 - HB2 LEU 22 20.000% * 42.0246% (0.48 2.56 16.86) = 42.025% kept HB3 LEU 82 - HB2 LEU 22 20.000% * 31.1454% (0.44 2.06 16.86) = 31.145% kept HB3 LEU 63 - HB2 LEU 22 20.000% * 12.6669% (0.22 1.68 46.03) = 12.667% kept HD2 LYS+ 56 - HB2 LEU 22 20.000% * 11.4959% (0.28 1.22 5.47) = 11.496% kept HB3 LYS+ 56 - HB2 LEU 22 20.000% * 2.6673% (0.15 0.51 5.47) = 2.667% kept Peak 1730 (1.43, 0.65, 43.84 ppm): 5 chemical-shift based assignments, quality = 0.775, support = 0.639, residual support = 13.6: T HB3 ASN 74 - HB2 LEU 22 20.000% * 60.6099% (0.79 10.00 0.28 0.81) = 60.610% kept HB2 LEU 63 - HB2 LEU 22 20.000% * 28.4802% (0.72 1.00 1.46 46.03) = 28.480% kept HG13 ILE 38 - HB2 LEU 22 20.000% * 10.7100% (0.83 1.00 0.48 0.02) = 10.710% kept HG3 LYS+ 72 - HB2 LEU 22 20.000% * 0.1061% (0.20 1.00 0.02 2.01) = 0.106% HB3 LYS+ 60 - HB2 LEU 22 20.000% * 0.0939% (0.17 1.00 0.02 0.02) = 0.094% Peak 1732 (8.09, 0.65, 43.84 ppm): 4 chemical-shift based assignments, quality = 0.912, support = 4.81, residual support = 164.5: O HN LEU 22 - HB2 LEU 22 25.000% * 95.4156% (0.91 10.0 5.01 172.34) = 95.416% kept HN ASP- 89 - HB2 LEU 22 25.000% * 3.0117% (0.83 1.0 0.70 3.22) = 3.012% kept HN ARG+ 48 - HB2 LEU 22 25.000% * 1.5339% (0.93 1.0 0.32 0.81) = 1.534% kept HN MET 54 - HB2 LEU 22 25.000% * 0.0388% (0.37 1.0 0.02 13.92) = 0.039% Peak 1733 (8.11, -0.47, 43.84 ppm): 3 chemical-shift based assignments, quality = 0.284, support = 5.31, residual support = 158.5: O HN LEU 22 - HB3 LEU 22 33.333% * 91.8574% (0.27 10.0 5.70 172.34) = 91.857% kept HN ASP- 89 - HB3 LEU 22 33.333% * 4.5004% (0.19 1.0 1.38 3.22) = 4.500% kept HN ARG+ 48 - HB3 LEU 22 33.333% * 3.6422% (0.68 1.0 0.32 0.81) = 3.642% kept Peak 1734 (8.48, -0.47, 43.84 ppm): 3 chemical-shift based assignments, quality = 0.63, support = 4.09, residual support = 24.2: HN GLU- 23 - HB3 LEU 22 33.333% * 47.9919% (0.44 6.32 46.99) = 47.992% kept HN SER 46 - HB3 LEU 22 33.333% * 33.9400% (0.96 2.04 2.49) = 33.940% kept HN THR 91 - HB3 LEU 22 33.333% * 18.0681% (0.52 2.03 4.32) = 18.068% kept Peak 1735 (-0.47, 0.81, 26.98 ppm): 1 chemical-shift based assignment, quality = 0.913, support = 5.7, residual support = 172.3: O T HB3 LEU 22 - HG LEU 22 100.000% *100.0000% (0.91 10.0 10.00 5.70 172.34) = 100.000% kept Peak 1736 (3.01, 0.81, 26.98 ppm): 6 chemical-shift based assignments, quality = 0.781, support = 1.72, residual support = 3.11: QE LYS+ 11 - HG LEU 22 16.667% * 48.9179% (0.77 1.86 4.41) = 48.918% kept QE LYS+ 72 - HG LEU 22 16.667% * 47.1321% (0.81 1.71 2.01) = 47.132% kept HB2 TYR 97 - HG LEU 22 16.667% * 2.7898% (0.84 0.10 0.02) = 2.790% kept QE LYS+ 20 - HG LEU 22 16.667% * 0.6231% (0.91 0.02 1.34) = 0.623% HB3 ASN 69 - HG LEU 22 16.667% * 0.3729% (0.55 0.02 0.02) = 0.373% HA ARG+ 88 - HG LEU 22 16.667% * 0.1642% (0.24 0.02 0.32) = 0.164% Peak 1737 (4.51, 0.81, 26.98 ppm): 5 chemical-shift based assignments, quality = 0.743, support = 5.61, residual support = 167.0: O T HA LEU 22 - HG LEU 22 20.000% * 96.8752% (0.74 10.0 10.00 5.78 172.34) = 96.875% kept HB2 SER 18 - HG LEU 22 20.000% * 2.9510% (0.96 1.0 1.00 0.47 0.24) = 2.951% kept HA MET 1 - HG LEU 22 20.000% * 0.0769% (0.59 1.0 1.00 0.02 0.02) = 0.077% HA VAL 7 - HG LEU 22 20.000% * 0.0617% (0.47 1.0 1.00 0.02 0.02) = 0.062% HA LYS+ 60 - HG LEU 22 20.000% * 0.0352% (0.27 1.0 1.00 0.02 0.02) = 0.035% Peak 1738 (6.77, 0.81, 26.98 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1739 (8.48, 0.81, 26.98 ppm): 3 chemical-shift based assignments, quality = 0.606, support = 4.0, residual support = 26.3: HN GLU- 23 - HG LEU 22 33.333% * 52.8371% (0.43 6.11 46.99) = 52.837% kept HN SER 46 - HG LEU 22 33.333% * 31.4905% (0.95 1.67 2.49) = 31.490% kept HN THR 91 - HG LEU 22 33.333% * 15.6724% (0.51 1.54 4.32) = 15.672% kept Peak 1740 (-0.23, 0.26, 25.04 ppm): 1 chemical-shift based assignment, quality = 0.634, support = 0.02, residual support = 0.02: HB3 LEU 76 - QD1 LEU 22 100.000% *100.0000% (0.63 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1741 (-0.11, 0.26, 25.04 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1742 (1.28, 0.26, 25.04 ppm): 4 chemical-shift based assignments, quality = 0.9, support = 4.47, residual support = 17.1: T QD1 LEU 82 - QD1 LEU 22 25.000% * 86.5639% (0.93 10.00 4.82 16.86) = 86.564% kept HD2 LYS+ 56 - QD1 LEU 22 25.000% * 9.1094% (0.75 1.00 2.61 5.47) = 9.109% kept HB3 LEU 63 - QD1 LEU 22 25.000% * 4.3039% (0.67 1.00 1.37 46.03) = 4.304% kept QG2 THR 51 - QD1 LEU 22 25.000% * 0.0228% (0.24 1.00 0.02 0.02) = 0.023% Peak 1743 (1.64, 0.26, 25.04 ppm): 8 chemical-shift based assignments, quality = 0.46, support = 2.07, residual support = 3.0: HB2 LYS+ 56 - QD1 LEU 22 12.500% * 30.7450% (0.75 2.08 5.47) = 30.745% kept HG LEU 43 - QD1 LEU 22 12.500% * 19.6839% (0.37 2.71 1.53) = 19.684% kept QB PRO 12 - QD1 LEU 22 12.500% * 15.1096% (0.44 1.74 0.46) = 15.110% kept QD LYS+ 11 - QD1 LEU 22 12.500% * 13.0234% (0.30 2.18 4.41) = 13.023% kept HB VAL 94 - QD1 LEU 22 12.500% * 10.7040% (0.27 1.99 1.81) = 10.704% kept HB ILE 96 - QD1 LEU 22 12.500% * 5.9230% (0.24 1.23 1.73) = 5.923% kept HB2 LEU 43 - QD1 LEU 22 12.500% * 4.7513% (0.17 1.40 1.53) = 4.751% kept QD LYS+ 17 - QD1 LEU 22 12.500% * 0.0598% (0.15 0.02 0.43) = 0.060% Peak 1744 (3.00, 0.26, 25.04 ppm): 6 chemical-shift based assignments, quality = 0.905, support = 2.62, residual support = 3.02: QE LYS+ 11 - QD1 LEU 22 16.667% * 52.1205% (0.97 3.43 4.41) = 52.121% kept QE LYS+ 72 - QD1 LEU 22 16.667% * 32.9867% (0.98 2.16 2.01) = 32.987% kept HB2 TYR 97 - QD1 LEU 22 16.667% * 8.2140% (0.55 0.95 0.02) = 8.214% kept QE LYS+ 20 - QD1 LEU 22 16.667% * 3.8275% (0.67 0.36 1.34) = 3.828% kept HD3 ARG+ 88 - QD1 LEU 22 16.667% * 2.7659% (0.17 1.03 0.32) = 2.766% kept HB3 ASN 69 - QD1 LEU 22 16.667% * 0.0853% (0.27 0.02 0.02) = 0.085% Peak 1745 (3.43, 0.26, 25.04 ppm): 5 chemical-shift based assignments, quality = 0.9, support = 0.881, residual support = 2.35: HA ILE 24 - QD1 LEU 22 20.000% * 49.2974% (0.98 0.99 3.21) = 49.297% kept HD2 ARG+ 90 - QD1 LEU 22 20.000% * 40.4919% (0.88 0.91 1.75) = 40.492% kept HB2 TRP 50 - QD1 LEU 22 20.000% * 7.7834% (0.75 0.21 0.02) = 7.783% kept QD ARG+ 53 - QD1 LEU 22 20.000% * 1.9826% (0.13 0.30 2.84) = 1.983% kept HB2 TRP 67 - QD1 LEU 22 20.000% * 0.4447% (0.44 0.02 6.03) = 0.445% Peak 1748 (1.29, 0.58, 23.09 ppm): 8 chemical-shift based assignments, quality = 0.817, support = 3.67, residual support = 54.4: T HB3 LEU 63 - QD2 LEU 22 12.500% * 31.3327% (0.94 1.0 10.00 3.65 46.03) = 31.333% kept O T HB3 LEU 63 - QD2 LEU 63 12.500% * 28.3510% (0.85 10.0 10.00 5.95 125.82) = 28.351% kept T QD1 LEU 82 - QD2 LEU 22 12.500% * 22.7522% (0.68 1.0 10.00 2.40 16.86) = 22.752% kept T QD1 LEU 82 - QD2 LEU 63 12.500% * 9.4968% (0.62 1.0 10.00 0.92 1.67) = 9.497% kept HD2 LYS+ 56 - QD2 LEU 22 12.500% * 5.0321% (0.89 1.0 1.00 3.39 5.47) = 5.032% kept HD2 LYS+ 56 - QD2 LEU 63 12.500% * 1.5700% (0.80 1.0 1.00 1.17 0.50) = 1.570% kept QG2 THR 51 - QD2 LEU 63 12.500% * 1.4355% (0.80 1.0 1.00 1.07 0.02) = 1.436% kept QG2 THR 51 - QD2 LEU 22 12.500% * 0.0297% (0.89 1.0 1.00 0.02 0.02) = 0.030% Peak 1749 (1.64, 0.58, 23.09 ppm): 16 chemical-shift based assignments, quality = 0.544, support = 1.24, residual support = 3.19: HB2 LYS+ 56 - QD2 LEU 22 6.250% * 41.6276% (0.76 1.85 5.47) = 41.628% kept QB PRO 12 - QD2 LEU 22 6.250% * 12.7397% (0.44 0.96 0.46) = 12.740% kept QD LYS+ 11 - QD2 LEU 22 6.250% * 12.2817% (0.31 1.35 4.41) = 12.282% kept HB2 LYS+ 56 - QD2 LEU 63 6.250% * 10.7681% (0.69 0.53 0.50) = 10.768% kept HG LEU 43 - QD2 LEU 22 6.250% * 8.6000% (0.37 0.78 1.53) = 8.600% kept HB VAL 94 - QD2 LEU 22 6.250% * 4.4293% (0.28 0.54 1.81) = 4.429% kept QD LYS+ 17 - QD2 LEU 22 6.250% * 2.3998% (0.15 0.53 0.43) = 2.400% kept QD LYS+ 17 - QD2 LEU 63 6.250% * 1.9507% (0.14 0.47 0.55) = 1.951% kept HG LEU 43 - QD2 LEU 63 6.250% * 1.7811% (0.34 0.18 0.10) = 1.781% kept HB2 LEU 43 - QD2 LEU 22 6.250% * 1.4627% (0.17 0.28 1.53) = 1.463% kept HB2 LEU 43 - QD2 LEU 63 6.250% * 1.1261% (0.16 0.24 0.10) = 1.126% kept QB PRO 12 - QD2 LEU 63 6.250% * 0.2395% (0.40 0.02 0.02) = 0.239% QD LYS+ 11 - QD2 LEU 63 6.250% * 0.1649% (0.28 0.02 0.02) = 0.165% HB VAL 94 - QD2 LEU 63 6.250% * 0.1485% (0.25 0.02 0.02) = 0.149% HB ILE 96 - QD2 LEU 22 6.250% * 0.1472% (0.25 0.02 1.73) = 0.147% HB ILE 96 - QD2 LEU 63 6.250% * 0.1332% (0.22 0.02 0.02) = 0.133% Peak 1750 (1.79, 0.58, 23.09 ppm): 16 chemical-shift based assignments, quality = 0.67, support = 2.19, residual support = 5.07: HG3 ARG+ 53 - QD2 LEU 63 6.250% * 12.9380% (0.62 3.06 5.12) = 12.938% kept HG2 ARG+ 53 - QD2 LEU 22 6.250% * 12.1708% (0.52 3.40 2.84) = 12.171% kept HD2 LYS+ 55 - QD2 LEU 63 6.250% * 11.8048% (0.75 2.30 8.82) = 11.805% kept HG2 ARG+ 53 - QD2 LEU 63 6.250% * 11.5293% (0.47 3.56 5.12) = 11.529% kept HG3 ARG+ 53 - QD2 LEU 22 6.250% * 10.3448% (0.68 2.22 2.84) = 10.345% kept HG LEU 82 - QD2 LEU 22 6.250% * 8.5974% (0.86 1.46 16.86) = 8.597% kept HG LEU 82 - QD2 LEU 63 6.250% * 7.9423% (0.78 1.49 1.67) = 7.942% kept HD2 LYS+ 55 - QD2 LEU 22 6.250% * 7.7032% (0.83 1.36 4.04) = 7.703% kept HB3 LYS+ 17 - QD2 LEU 22 6.250% * 4.7462% (0.91 0.76 0.43) = 4.746% kept HB3 LYS+ 17 - QD2 LEU 63 6.250% * 4.2365% (0.83 0.75 0.55) = 4.236% kept HG LEU 42 - QD2 LEU 22 6.250% * 3.9000% (0.56 1.01 4.50) = 3.900% kept HB3 LYS+ 20 - QD2 LEU 63 6.250% * 2.3284% (0.58 0.59 1.02) = 2.328% kept HG LEU 42 - QD2 LEU 63 6.250% * 0.8662% (0.51 0.25 0.02) = 0.866% HB ILE 95 - QD2 LEU 22 6.250% * 0.7767% (0.22 0.51 4.56) = 0.777% HB3 LYS+ 20 - QD2 LEU 22 6.250% * 0.0879% (0.64 0.02 1.34) = 0.088% HB ILE 95 - QD2 LEU 63 6.250% * 0.0274% (0.20 0.02 0.66) = 0.027% Peak 1753 (2.99, 0.58, 23.09 ppm): 18 chemical-shift based assignments, quality = 0.621, support = 2.11, residual support = 3.32: QE LYS+ 11 - QD2 LEU 22 5.556% * 37.9144% (0.79 3.07 4.41) = 37.914% kept QE LYS+ 72 - QD2 LEU 22 5.556% * 24.0452% (0.76 2.04 2.01) = 24.045% kept QE LYS+ 55 - QD2 LEU 22 5.556% * 11.0862% (0.31 2.33 4.04) = 11.086% kept QE LYS+ 55 - QD2 LEU 63 5.556% * 6.5762% (0.28 1.53 8.82) = 6.576% kept HD3 ARG+ 88 - QD2 LEU 22 5.556% * 5.6850% (0.56 0.65 0.32) = 5.685% kept HD3 ARG+ 48 - QD2 LEU 63 5.556% * 3.9463% (0.44 0.58 0.25) = 3.946% kept HD3 ARG+ 48 - QD2 LEU 22 5.556% * 2.7516% (0.48 0.37 0.81) = 2.752% kept HD3 ARG+ 88 - QD2 LEU 63 5.556% * 2.7180% (0.51 0.34 0.02) = 2.718% kept HB2 ASP- 89 - QD2 LEU 22 5.556% * 2.0445% (0.22 0.60 3.22) = 2.045% kept QE LYS+ 20 - QD2 LEU 22 5.556% * 1.2801% (0.25 0.33 1.34) = 1.280% kept HB2 TYR 97 - QD2 LEU 22 5.556% * 1.1712% (0.17 0.43 0.02) = 1.171% kept QE LYS+ 11 - QD2 LEU 63 5.556% * 0.2236% (0.72 0.02 0.02) = 0.224% QE LYS+ 72 - QD2 LEU 63 5.556% * 0.2134% (0.69 0.02 0.02) = 0.213% HE3 LYS+ 60 - QD2 LEU 22 5.556% * 0.0858% (0.28 0.02 0.02) = 0.086% HE3 LYS+ 60 - QD2 LEU 63 5.556% * 0.0776% (0.25 0.02 0.78) = 0.078% QE LYS+ 20 - QD2 LEU 63 5.556% * 0.0696% (0.22 0.02 1.02) = 0.070% HB2 ASP- 89 - QD2 LEU 63 5.556% * 0.0622% (0.20 0.02 1.72) = 0.062% HB2 TYR 97 - QD2 LEU 63 5.556% * 0.0489% (0.16 0.02 0.02) = 0.049% Peak 1754 (3.42, 0.58, 23.09 ppm): 10 chemical-shift based assignments, quality = 0.753, support = 1.58, residual support = 4.37: HA ILE 24 - QD2 LEU 22 10.000% * 35.9611% (0.91 1.98 3.21) = 35.961% kept HA ILE 24 - QD2 LEU 63 10.000% * 22.7600% (0.83 1.39 9.34) = 22.760% kept HD2 ARG+ 90 - QD2 LEU 22 10.000% * 17.2757% (0.99 0.88 1.75) = 17.276% kept QD ARG+ 53 - QD2 LEU 22 10.000% * 10.7419% (0.28 1.96 2.84) = 10.742% kept QD ARG+ 53 - QD2 LEU 63 10.000% * 9.5138% (0.25 1.92 5.12) = 9.514% kept HB2 TRP 50 - QD2 LEU 22 10.000% * 2.1257% (0.52 0.21 0.02) = 2.126% kept HB2 TRP 67 - QD2 LEU 22 10.000% * 0.9905% (0.25 0.20 6.03) = 0.991% HD2 ARG+ 90 - QD2 LEU 63 10.000% * 0.3552% (0.89 0.02 1.33) = 0.355% HB2 TRP 50 - QD2 LEU 63 10.000% * 0.1873% (0.47 0.02 0.02) = 0.187% HB2 TRP 67 - QD2 LEU 63 10.000% * 0.0888% (0.22 0.02 0.68) = 0.089% Peak 1755 (0.60, 3.52, 55.45 ppm): 4 chemical-shift based assignments, quality = 0.363, support = 5.38, residual support = 30.4: QG2 ILE 24 - HA GLU- 23 25.000% * 59.2580% (0.44 5.24 21.29) = 59.258% kept QD2 LEU 22 - HA GLU- 23 25.000% * 37.7435% (0.25 6.00 46.99) = 37.744% kept QD1 ILE 96 - HA GLU- 23 25.000% * 1.7091% (0.20 0.34 0.10) = 1.709% kept QD1 LEU 42 - HA GLU- 23 25.000% * 1.2893% (0.25 0.20 0.02) = 1.289% kept Peak 1756 (0.79, 3.52, 55.45 ppm): 6 chemical-shift based assignments, quality = 0.544, support = 2.26, residual support = 13.8: T HB2 LEU 76 - HA GLU- 23 16.667% * 33.5756% (0.64 10.00 0.66 0.96) = 33.576% kept HG LEU 22 - HA GLU- 23 16.667% * 25.9578% (0.60 1.00 5.45 46.99) = 25.958% kept T QG2 VAL 71 - HA GLU- 23 16.667% * 20.8162% (0.28 10.00 0.95 0.72) = 20.816% kept QG2 VAL 61 - HA GLU- 23 16.667% * 9.6421% (0.68 1.00 1.79 0.21) = 9.642% kept HG13 ILE 24 - HA GLU- 23 16.667% * 5.1996% (0.15 1.00 4.29 21.29) = 5.200% kept QG2 ILE 96 - HA GLU- 23 16.667% * 4.8087% (0.86 1.00 0.71 0.10) = 4.809% kept Peak 1757 (3.50, 3.52, 55.45 ppm): 1 diagonal assignment: HA GLU- 23 - HA GLU- 23 (0.64) kept Peak 1758 (1.20, 1.72, 30.87 ppm): 7 chemical-shift based assignments, quality = 0.808, support = 2.65, residual support = 59.4: O HG3 GLU- 23 - HB2 GLU- 23 14.286% * 96.2087% (0.81 10.0 2.74 61.70) = 96.209% kept QE MET 54 - HB2 GLU- 23 14.286% * 2.5545% (0.93 1.0 0.46 0.02) = 2.555% kept QG2 THR 39 - HB2 GLU- 23 14.286% * 1.0013% (0.89 1.0 0.19 0.02) = 1.001% kept QG2 THR 4 - HB2 GLU- 23 14.286% * 0.1033% (0.87 1.0 0.02 0.02) = 0.103% HD3 LYS+ 56 - HB2 GLU- 23 14.286% * 0.0561% (0.47 1.0 0.02 0.02) = 0.056% HB3 LEU 42 - HB2 GLU- 23 14.286% * 0.0474% (0.40 1.0 0.02 0.02) = 0.047% QG1 VAL 65 - HB2 GLU- 23 14.286% * 0.0287% (0.24 1.0 0.02 0.02) = 0.029% Peak 1759 (4.76, 0.26, 25.04 ppm): 4 chemical-shift based assignments, quality = 0.677, support = 1.42, residual support = 3.35: HA LYS+ 55 - QD1 LEU 22 25.000% * 39.6027% (0.78 1.41 4.04) = 39.603% kept HA ILE 85 - QD1 LEU 22 25.000% * 33.3688% (0.71 1.31 0.81) = 33.369% kept HA THR 64 - QD1 LEU 22 25.000% * 26.9336% (0.48 1.58 5.48) = 26.934% kept HA ALA 34 - QD1 LEU 22 25.000% * 0.0949% (0.13 0.02 0.02) = 0.095% Peak 1760 (5.35, 0.26, 25.04 ppm): 2 chemical-shift based assignments, quality = 0.324, support = 2.05, residual support = 4.47: HA LEU 42 - QD1 LEU 22 50.000% * 83.7131% (0.33 2.34 4.50) = 83.713% kept HA THR 91 - QD1 LEU 22 50.000% * 16.2869% (0.27 0.56 4.32) = 16.287% kept Peak 1761 (6.13, 0.26, 25.04 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1762 (6.62, 0.26, 25.04 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1763 (6.76, 0.26, 25.04 ppm): 1 chemical-shift based assignment, quality = 0.172, support = 0.638, residual support = 0.815: HN ASN 74 - QD1 LEU 22 100.000% *100.0000% (0.17 0.64 0.81) = 100.000% kept Not enough quality. Peak unassigned. Peak 1764 (7.12, 0.26, 25.04 ppm): 2 chemical-shift based assignments, quality = 0.204, support = 0.519, residual support = 0.465: HN PHE 32 - QD1 LEU 22 50.000% * 88.1788% (0.15 0.59 0.53) = 88.179% kept HD22 ASN 69 - QD1 LEU 22 50.000% * 11.8212% (0.59 0.02 0.02) = 11.821% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1765 (8.09, 0.26, 25.04 ppm): 4 chemical-shift based assignments, quality = 0.883, support = 4.56, residual support = 134.9: HN LEU 22 - QD1 LEU 22 25.000% * 77.9460% (0.90 5.55 172.34) = 77.946% kept HN ASP- 89 - QD1 LEU 22 25.000% * 16.6903% (0.82 1.31 3.22) = 16.690% kept HN ARG+ 48 - QD1 LEU 22 25.000% * 4.5182% (0.92 0.32 0.81) = 4.518% kept HN MET 54 - QD1 LEU 22 25.000% * 0.8455% (0.37 0.15 13.92) = 0.846% Peak 1766 (8.48, 0.26, 25.04 ppm): 3 chemical-shift based assignments, quality = 0.617, support = 4.17, residual support = 22.9: HN GLU- 23 - QD1 LEU 22 33.333% * 44.8365% (0.44 6.33 46.99) = 44.836% kept HN SER 46 - QD1 LEU 22 33.333% * 30.5296% (0.96 1.97 2.49) = 30.530% kept HN THR 91 - QD1 LEU 22 33.333% * 24.6339% (0.52 2.96 4.32) = 24.634% kept Peak 1767 (4.78, 0.58, 23.09 ppm): 6 chemical-shift based assignments, quality = 0.721, support = 3.04, residual support = 11.2: HA THR 64 - QD2 LEU 63 16.667% * 39.2244% (0.83 3.53 20.48) = 39.224% kept HA THR 64 - QD2 LEU 22 16.667% * 33.8600% (0.91 2.76 5.48) = 33.860% kept HA LYS+ 55 - QD2 LEU 22 16.667% * 15.8428% (0.34 3.49 4.04) = 15.843% kept HA LYS+ 55 - QD2 LEU 63 16.667% * 7.7420% (0.31 1.88 8.82) = 7.742% kept HA ILE 85 - QD2 LEU 22 16.667% * 3.2639% (0.28 0.88 0.81) = 3.264% kept HA ILE 85 - QD2 LEU 63 16.667% * 0.0670% (0.25 0.02 0.02) = 0.067% Peak 1770 (6.13, 0.58, 23.09 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1771 (6.61, 0.58, 23.09 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1772 (6.76, 0.58, 23.09 ppm): 2 chemical-shift based assignments, quality = 0.292, support = 0.02, residual support = 0.437: HN ASN 74 - QD2 LEU 22 50.000% * 52.4979% (0.31 0.02 0.81) = 52.498% kept HN ASN 74 - QD2 LEU 63 50.000% * 47.5021% (0.28 0.02 0.02) = 47.502% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1773 (7.14, 0.58, 23.09 ppm): 2 chemical-shift based assignments, quality = 0.851, support = 0.707, residual support = 0.9: HN PHE 32 - QD2 LEU 63 50.000% * 97.0515% (0.85 0.73 0.91) = 97.052% kept HN PHE 32 - QD2 LEU 22 50.000% * 2.9485% (0.94 0.02 0.53) = 2.948% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1774 (7.05, 0.58, 23.09 ppm): 2 chemical-shift based assignments, quality = 0.922, support = 0.915, residual support = 0.475: HN LYS+ 17 - QD2 LEU 22 50.000% * 61.5788% (0.96 1.04 0.43) = 61.579% kept HN LYS+ 17 - QD2 LEU 63 50.000% * 38.4212% (0.87 0.72 0.55) = 38.421% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1775 (8.09, 0.58, 23.09 ppm): 8 chemical-shift based assignments, quality = 0.784, support = 4.05, residual support = 76.1: HN LEU 22 - QD2 LEU 22 12.500% * 35.1918% (0.91 5.69 172.34) = 35.192% kept HN LEU 22 - QD2 LEU 63 12.500% * 26.7069% (0.83 4.77 46.03) = 26.707% kept HN ASP- 89 - QD2 LEU 22 12.500% * 8.8462% (0.83 1.58 3.22) = 8.846% kept HN ASP- 89 - QD2 LEU 63 12.500% * 8.0548% (0.75 1.59 1.72) = 8.055% kept HN MET 54 - QD2 LEU 63 12.500% * 7.8038% (0.34 3.43 22.10) = 7.804% kept HN MET 54 - QD2 LEU 22 12.500% * 7.1947% (0.37 2.86 13.92) = 7.195% kept HN ARG+ 48 - QD2 LEU 63 12.500% * 4.2127% (0.84 0.74 0.25) = 4.213% kept HN ARG+ 48 - QD2 LEU 22 12.500% * 1.9891% (0.93 0.32 0.81) = 1.989% kept Peak 1779 (10.47, 0.58, 23.09 ppm): 2 chemical-shift based assignments, quality = 0.216, support = 1.79, residual support = 4.82: HE1 TRP 67 - QD2 LEU 22 50.000% * 77.4042% (0.22 2.12 6.03) = 77.404% kept HE1 TRP 67 - QD2 LEU 63 50.000% * 22.5958% (0.20 0.68 0.68) = 22.596% kept Peak 1780 (5.26, 3.52, 55.45 ppm): 5 chemical-shift based assignments, quality = 0.777, support = 1.84, residual support = 2.18: T HA PHE 62 - HA GLU- 23 20.000% * 79.6290% (0.79 10.00 2.17 2.70) = 79.629% kept T HA ARG+ 90 - HA GLU- 23 20.000% * 17.8639% (0.68 10.00 0.52 0.15) = 17.864% kept HA THR 39 - HA GLU- 23 20.000% * 2.4252% (0.98 1.00 0.49 0.02) = 2.425% kept HA VAL 52 - HA GLU- 23 20.000% * 0.0446% (0.44 1.00 0.02 0.02) = 0.045% HA TYR 93 - HA GLU- 23 20.000% * 0.0373% (0.37 1.00 0.02 0.02) = 0.037% Peak 1781 (6.90, 3.52, 55.45 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1782 (8.36, 3.52, 55.45 ppm): 3 chemical-shift based assignments, quality = 0.359, support = 5.3, residual support = 19.0: O HN ILE 24 - HA GLU- 23 33.333% * 88.4849% (0.34 10.0 5.77 21.29) = 88.485% kept HN LYS+ 20 - HA GLU- 23 33.333% * 11.4637% (0.52 1.0 1.68 1.05) = 11.464% kept HN GLY 5 - HA GLU- 23 33.333% * 0.0513% (0.20 1.0 0.02 0.02) = 0.051% Peak 1783 (8.92, 3.52, 55.45 ppm): 4 chemical-shift based assignments, quality = 0.696, support = 2.04, residual support = 3.02: HN LEU 63 - HA GLU- 23 25.000% * 60.4595% (0.56 2.94 4.86) = 60.459% kept HN GLU- 16 - HA GLU- 23 25.000% * 26.8039% (0.94 0.78 0.29) = 26.804% kept HN VAL 65 - HA GLU- 23 25.000% * 12.2379% (0.86 0.39 0.02) = 12.238% kept HN ASP- 41 - HA GLU- 23 25.000% * 0.4987% (0.68 0.02 0.02) = 0.499% Peak 1785 (7.28, 1.72, 30.87 ppm): 2 chemical-shift based assignments, quality = 0.546, support = 1.33, residual support = 1.64: HN ILE 14 - HB2 GLU- 23 50.000% * 58.6638% (0.55 1.51 1.47) = 58.664% kept HN SER 49 - HB2 GLU- 23 50.000% * 41.3362% (0.55 1.07 1.90) = 41.336% kept Peak 1786 (8.45, 1.72, 30.87 ppm): 5 chemical-shift based assignments, quality = 0.622, support = 4.28, residual support = 60.1: O HN GLU- 23 - HB2 GLU- 23 20.000% * 97.4289% (0.62 10.0 4.38 61.70) = 97.429% kept HN THR 91 - HB2 GLU- 23 20.000% * 2.4566% (0.55 1.0 0.58 0.12) = 2.457% kept HN PHE 36 - HB2 GLU- 23 20.000% * 0.0565% (0.36 1.0 0.02 0.02) = 0.057% HN GLY 47 - HB2 GLU- 23 20.000% * 0.0376% (0.24 1.0 0.02 0.02) = 0.038% HN SER 46 - HB2 GLU- 23 20.000% * 0.0204% (0.13 1.0 0.02 0.02) = 0.020% Peak 1788 (8.48, 3.52, 55.45 ppm): 3 chemical-shift based assignments, quality = 0.666, support = 5.29, residual support = 53.6: O HN GLU- 23 - HA GLU- 23 33.333% * 86.9177% (0.64 10.0 5.90 61.70) = 86.918% kept HN THR 91 - HA GLU- 23 33.333% * 7.6201% (0.72 1.0 1.56 0.12) = 7.620% kept HN SER 46 - HA GLU- 23 33.333% * 5.4623% (0.98 1.0 0.82 0.02) = 5.462% kept Peak 1789 (8.48, 0.58, 23.09 ppm): 6 chemical-shift based assignments, quality = 0.723, support = 4.46, residual support = 26.3: HN GLU- 23 - QD2 LEU 22 16.667% * 52.3428% (0.64 6.86 46.99) = 52.343% kept HN SER 46 - QD2 LEU 22 16.667% * 21.8459% (0.98 1.87 2.49) = 21.846% kept HN THR 91 - QD2 LEU 22 16.667% * 17.9145% (0.72 2.09 4.32) = 17.914% kept HN GLU- 23 - QD2 LEU 63 16.667% * 7.5304% (0.58 1.09 4.86) = 7.530% kept HN SER 46 - QD2 LEU 63 16.667% * 0.2115% (0.89 0.02 0.02) = 0.211% HN THR 91 - QD2 LEU 63 16.667% * 0.1549% (0.65 0.02 0.02) = 0.155% Peak 1790 (8.48, 1.47, 30.87 ppm): 3 chemical-shift based assignments, quality = 0.651, support = 3.76, residual support = 57.2: O HN GLU- 23 - HB3 GLU- 23 33.333% * 92.6412% (0.63 10.0 4.01 61.70) = 92.641% kept HN SER 46 - HB3 GLU- 23 33.333% * 4.3457% (0.97 1.0 0.61 0.02) = 4.346% kept HN THR 91 - HB3 GLU- 23 33.333% * 3.0131% (0.71 1.0 0.58 0.12) = 3.013% kept Peak 1791 (8.38, 1.21, 35.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1792 (7.26, 1.21, 35.39 ppm): 2 chemical-shift based assignments, quality = 0.961, support = 1.11, residual support = 1.72: HN SER 49 - HG3 GLU- 23 50.000% * 59.2640% (0.96 1.28 1.90) = 59.264% kept HN ILE 14 - HG3 GLU- 23 50.000% * 40.7360% (0.96 0.88 1.47) = 40.736% kept Peak 1793 (8.36, 3.43, 57.41 ppm): 3 chemical-shift based assignments, quality = 0.354, support = 6.25, residual support = 115.2: O HN ILE 24 - HA ILE 24 33.333% * 91.3602% (0.34 10.0 6.73 125.79) = 91.360% kept HN LYS+ 20 - HA ILE 24 33.333% * 8.5868% (0.52 1.0 1.22 3.50) = 8.587% kept HN GLY 5 - HA ILE 24 33.333% * 0.0530% (0.20 1.0 0.02 0.02) = 0.053% Peak 1795 (1.81, 3.43, 57.41 ppm): 9 chemical-shift based assignments, quality = 0.431, support = 5.59, residual support = 98.3: O HB ILE 24 - HA ILE 24 11.111% * 64.4363% (0.48 10.0 1.00 6.04 125.79) = 64.436% kept O T HD3 PRO 25 - HA ILE 24 11.111% * 29.4724% (0.22 10.0 10.00 5.64 58.32) = 29.472% kept HG LEU 42 - HA ILE 24 11.111% * 4.4549% (0.96 1.0 1.00 0.70 1.65) = 4.455% kept HG2 ARG+ 53 - HA ILE 24 11.111% * 1.3476% (0.94 1.0 1.00 0.22 0.22) = 1.348% kept HB3 LYS+ 17 - HA ILE 24 11.111% * 0.1222% (0.91 1.0 1.00 0.02 3.63) = 0.122% HG LEU 82 - HA ILE 24 11.111% * 0.0544% (0.41 1.0 1.00 0.02 0.02) = 0.054% HD2 LYS+ 55 - HA ILE 24 11.111% * 0.0497% (0.37 1.0 1.00 0.02 0.02) = 0.050% HG3 ARG+ 53 - HA ILE 24 11.111% * 0.0330% (0.25 1.0 1.00 0.02 0.22) = 0.033% HB3 LYS+ 20 - HA ILE 24 11.111% * 0.0295% (0.22 1.0 1.00 0.02 3.50) = 0.029% Peak 1796 (1.09, 3.43, 57.41 ppm): 5 chemical-shift based assignments, quality = 0.71, support = 4.05, residual support = 60.1: T QG1 VAL 52 - HA ILE 24 20.000% * 56.8662% (0.79 1.0 10.00 2.59 10.45) = 56.866% kept O T HG12 ILE 24 - HA ILE 24 20.000% * 43.0742% (0.60 10.0 10.00 5.97 125.79) = 43.074% kept HG13 ILE 14 - HA ILE 24 20.000% * 0.0346% (0.48 1.0 1.00 0.02 0.62) = 0.035% HG13 ILE 95 - HA ILE 24 20.000% * 0.0141% (0.20 1.0 1.00 0.02 0.10) = 0.014% HG13 ILE 85 - HA ILE 24 20.000% * 0.0110% (0.15 1.0 1.00 0.02 0.02) = 0.011% Peak 1797 (0.81, 3.43, 57.41 ppm): 6 chemical-shift based assignments, quality = 0.926, support = 4.79, residual support = 109.2: O T HG13 ILE 24 - HA ILE 24 16.667% * 86.5471% (0.96 10.0 10.00 5.24 125.79) = 86.547% kept HG LEU 22 - HA ILE 24 16.667% * 8.7734% (0.79 1.0 1.00 2.44 3.21) = 8.773% kept QG2 VAL 61 - HA ILE 24 16.667% * 3.1836% (0.72 1.0 1.00 0.98 1.60) = 3.184% kept QG2 ILE 96 - HA ILE 24 16.667% * 1.1670% (0.52 1.0 1.00 0.49 0.10) = 1.167% kept HB2 LEU 76 - HA ILE 24 16.667% * 0.2920% (0.76 1.0 1.00 0.09 0.42) = 0.292% QD1 ILE 14 - HA ILE 24 16.667% * 0.0369% (0.41 1.0 1.00 0.02 0.62) = 0.037% Peak 1798 (0.62, 3.43, 57.41 ppm): 4 chemical-shift based assignments, quality = 0.988, support = 7.43, residual support = 122.2: O T QG2 ILE 24 - HA ILE 24 25.000% * 97.0820% (0.99 10.0 10.00 7.64 125.79) = 97.082% kept QD1 LEU 42 - HA ILE 24 25.000% * 2.8096% (0.91 1.0 1.00 0.63 1.65) = 2.810% kept QD1 ILE 96 - HA ILE 24 25.000% * 0.0842% (0.86 1.0 1.00 0.02 0.10) = 0.084% HB2 LEU 22 - HA ILE 24 25.000% * 0.0242% (0.25 1.0 1.00 0.02 3.21) = 0.024% Peak 1799 (0.33, 3.43, 57.41 ppm): 4 chemical-shift based assignments, quality = 0.791, support = 5.52, residual support = 94.8: T QD1 ILE 24 - HA ILE 24 25.000% * 74.2982% (0.76 10.00 6.67 125.79) = 74.298% kept QD1 LEU 63 - HA ILE 24 25.000% * 12.5583% (0.99 1.00 2.59 9.34) = 12.558% kept QG1 VAL 71 - HA ILE 24 25.000% * 7.6955% (0.99 1.00 1.59 1.80) = 7.695% kept QG1 VAL 7 - HA ILE 24 25.000% * 5.4480% (0.52 1.00 2.13 1.05) = 5.448% kept Peak 1800 (0.32, 1.83, 37.30 ppm): 4 chemical-shift based assignments, quality = 0.606, support = 4.2, residual support = 89.0: O T QD1 ILE 24 - HB ILE 24 25.000% * 69.4729% (0.51 10.0 10.00 5.18 125.79) = 69.473% kept QD1 LEU 63 - HB ILE 24 25.000% * 14.6667% (0.87 1.0 1.00 2.48 9.34) = 14.667% kept QG1 VAL 7 - HB ILE 24 25.000% * 8.7360% (0.74 1.0 1.00 1.73 1.05) = 8.736% kept QG1 VAL 71 - HB ILE 24 25.000% * 7.1244% (0.87 1.0 1.00 1.20 1.80) = 7.124% kept Peak 1801 (0.81, 1.83, 37.30 ppm): 6 chemical-shift based assignments, quality = 0.791, support = 3.72, residual support = 105.4: O T HG13 ILE 24 - HB ILE 24 16.667% * 83.5948% (0.77 10.0 10.00 4.26 125.79) = 83.595% kept QG2 VAL 61 - HB ILE 24 16.667% * 5.9059% (0.89 1.0 1.00 1.23 1.60) = 5.906% kept HB2 LEU 76 - HB ILE 24 16.667% * 4.8342% (0.91 1.0 1.00 0.98 0.42) = 4.834% kept HG LEU 22 - HB ILE 24 16.667% * 3.6685% (0.93 1.0 1.00 0.73 3.21) = 3.669% kept QG2 ILE 96 - HB ILE 24 16.667% * 1.9734% (0.74 1.0 1.00 0.49 0.10) = 1.973% kept QD1 ILE 14 - HB ILE 24 16.667% * 0.0232% (0.21 1.0 1.00 0.02 0.62) = 0.023% Peak 1802 (0.32, 0.62, 57.73 ppm): 4 chemical-shift based assignments, quality = 0.47, support = 4.72, residual support = 77.6: T QD1 ILE 24 - QG2 ILE 24 25.000% * 60.4859% (0.28 10.00 6.74 125.79) = 60.486% kept QG1 VAL 7 - QG2 ILE 24 25.000% * 14.7259% (0.96 1.00 1.40 1.05) = 14.726% kept QG1 VAL 71 - QG2 ILE 24 25.000% * 13.1226% (0.65 1.00 1.86 1.80) = 13.123% kept QD1 LEU 63 - QG2 ILE 24 25.000% * 11.6656% (0.65 1.00 1.66 9.34) = 11.666% kept Peak 1803 (1.07, 0.62, 57.73 ppm): 3 chemical-shift based assignments, quality = 0.832, support = 3.53, residual support = 10.4: T QG1 VAL 52 - QG2 ILE 24 33.333% * 99.8414% (0.83 10.00 3.53 10.45) = 99.841% kept HG13 ILE 85 - QG2 ILE 24 33.333% * 0.0957% (0.80 1.00 0.02 0.02) = 0.096% HG2 LYS+ 56 - QG2 ILE 24 33.333% * 0.0629% (0.52 1.00 0.02 0.02) = 0.063% Peak 1804 (1.55, 0.62, 57.73 ppm): 3 chemical-shift based assignments, quality = 0.418, support = 2.19, residual support = 16.1: HG2 GLU- 23 - QG2 ILE 24 33.333% * 75.7836% (0.25 2.83 21.29) = 75.784% kept HG2 LYS+ 72 - QG2 ILE 24 33.333% * 22.6542% (0.96 0.22 0.02) = 22.654% kept HG12 ILE 85 - QG2 ILE 24 33.333% * 1.5621% (0.72 0.02 0.02) = 1.562% kept Peak 1805 (1.81, 0.62, 57.73 ppm): 9 chemical-shift based assignments, quality = 0.637, support = 3.47, residual support = 59.3: O HB ILE 24 - QG2 ILE 24 11.111% * 38.6831% (0.49 10.0 1.00 6.08 125.79) = 38.683% kept T HG2 ARG+ 53 - QG2 ILE 24 11.111% * 29.8386% (0.94 1.0 10.00 0.79 0.22) = 29.839% kept T HD3 PRO 25 - QG2 ILE 24 11.111% * 17.6932% (0.22 1.0 10.00 4.73 58.32) = 17.693% kept T HG LEU 42 - QG2 ILE 24 11.111% * 13.3177% (0.96 1.0 10.00 0.35 1.65) = 13.318% kept T HG LEU 82 - QG2 ILE 24 11.111% * 0.3267% (0.41 1.0 10.00 0.02 0.02) = 0.327% HB3 LYS+ 17 - QG2 ILE 24 11.111% * 0.0734% (0.92 1.0 1.00 0.02 3.63) = 0.073% HD2 LYS+ 55 - QG2 ILE 24 11.111% * 0.0298% (0.37 1.0 1.00 0.02 0.02) = 0.030% HG3 ARG+ 53 - QG2 ILE 24 11.111% * 0.0198% (0.25 1.0 1.00 0.02 0.22) = 0.020% HB3 LYS+ 20 - QG2 ILE 24 11.111% * 0.0177% (0.22 1.0 1.00 0.02 3.50) = 0.018% Peak 1806 (2.67, 0.62, 57.73 ppm): 5 chemical-shift based assignments, quality = 0.496, support = 5.23, residual support = 56.1: T HD2 PRO 25 - QG2 ILE 24 20.000% * 96.2666% (0.49 10.00 5.42 58.32) = 96.267% kept HB3 ASP- 73 - QG2 ILE 24 20.000% * 3.5526% (0.80 1.00 0.45 0.02) = 3.553% kept QG MET 101 - QG2 ILE 24 20.000% * 0.0742% (0.37 1.00 0.02 0.02) = 0.074% HG2 MET 10 - QG2 ILE 24 20.000% * 0.0675% (0.34 1.00 0.02 0.02) = 0.067% QB ASP- 3 - QG2 ILE 24 20.000% * 0.0391% (0.20 1.00 0.02 0.02) = 0.039% Peak 1807 (2.81, 0.62, 57.73 ppm): 5 chemical-shift based assignments, quality = 0.721, support = 1.7, residual support = 8.24: T HB2 PHE 28 - QG2 ILE 24 20.000% * 88.3072% (0.72 10.00 1.90 9.33) = 88.307% kept T HB2 TYR 81 - QG2 ILE 24 20.000% * 6.5079% (0.76 10.00 0.13 0.02) = 6.508% kept T HB2 ASP- 73 - QG2 ILE 24 20.000% * 3.2040% (0.37 10.00 0.13 0.02) = 3.204% kept HB3 PHE 92 - QG2 ILE 24 20.000% * 1.9284% (1.00 1.00 0.30 0.02) = 1.928% kept HB2 TYR 31 - QG2 ILE 24 20.000% * 0.0526% (0.41 1.00 0.02 0.02) = 0.053% Peak 1808 (3.43, 0.62, 57.73 ppm): 4 chemical-shift based assignments, quality = 0.961, support = 7.62, residual support = 125.5: O T HA ILE 24 - QG2 ILE 24 25.000% * 99.7656% (0.96 10.0 10.00 7.64 125.79) = 99.766% kept HB2 TRP 50 - QG2 ILE 24 25.000% * 0.0927% (0.89 1.0 1.00 0.02 0.02) = 0.093% HD2 ARG+ 90 - QG2 ILE 24 25.000% * 0.0790% (0.76 1.0 1.00 0.02 0.12) = 0.079% HB2 TRP 67 - QG2 ILE 24 25.000% * 0.0627% (0.61 1.0 1.00 0.02 0.02) = 0.063% Peak 1809 (2.65, 3.43, 57.41 ppm): 6 chemical-shift based assignments, quality = 0.857, support = 6.16, residual support = 58.1: O T HD2 PRO 25 - HA ILE 24 16.667% * 99.6218% (0.86 10.0 10.00 6.18 58.32) = 99.622% kept HG2 MET 10 - HA ILE 24 16.667% * 0.1108% (0.96 1.0 1.00 0.02 0.02) = 0.111% QG MET 101 - HA ILE 24 16.667% * 0.1086% (0.94 1.0 1.00 0.02 0.02) = 0.109% HB3 ASP- 73 - HA ILE 24 16.667% * 0.0650% (0.56 1.0 1.00 0.02 0.02) = 0.065% HB2 ASP- 41 - HA ILE 24 16.667% * 0.0650% (0.56 1.0 1.00 0.02 0.02) = 0.065% HA VAL 71 - HA ILE 24 16.667% * 0.0286% (0.25 1.0 1.00 0.02 1.80) = 0.029% Peak 1810 (0.61, 1.11, 27.95 ppm): 3 chemical-shift based assignments, quality = 0.677, support = 6.09, residual support = 125.1: O QG2 ILE 24 - HG12 ILE 24 33.333% * 99.4864% (0.68 10.0 6.12 125.79) = 99.486% kept QD1 ILE 96 - HG12 ILE 24 33.333% * 0.4486% (0.37 1.0 0.17 0.10) = 0.449% QD1 LEU 42 - HG12 ILE 24 33.333% * 0.0649% (0.44 1.0 0.02 1.65) = 0.065% Peak 1811 (0.32, 1.11, 27.95 ppm): 4 chemical-shift based assignments, quality = 0.606, support = 4.27, residual support = 94.4: O T QD1 ILE 24 - HG12 ILE 24 25.000% * 74.1878% (0.52 10.0 10.00 5.26 125.79) = 74.188% kept QD1 LEU 63 - HG12 ILE 24 25.000% * 9.3436% (0.89 1.0 1.00 1.48 9.34) = 9.344% kept QG1 VAL 71 - HG12 ILE 24 25.000% * 8.4113% (0.89 1.0 1.00 1.33 1.80) = 8.411% kept QG1 VAL 7 - HG12 ILE 24 25.000% * 8.0572% (0.76 1.0 1.00 1.50 1.05) = 8.057% kept Peak 1812 (0.32, 0.82, 27.95 ppm): 4 chemical-shift based assignments, quality = 0.609, support = 3.89, residual support = 94.4: O T QD1 ILE 24 - HG13 ILE 24 25.000% * 73.9794% (0.52 10.0 10.00 4.71 125.79) = 73.979% kept QD1 LEU 63 - HG13 ILE 24 25.000% * 12.7191% (0.89 1.0 1.00 2.02 9.34) = 12.719% kept QG1 VAL 71 - HG13 ILE 24 25.000% * 6.9336% (0.89 1.0 1.00 1.10 1.80) = 6.934% kept QG1 VAL 7 - HG13 ILE 24 25.000% * 6.3679% (0.76 1.0 1.00 1.19 1.05) = 6.368% kept Peak 1813 (0.61, 0.82, 27.95 ppm): 3 chemical-shift based assignments, quality = 0.673, support = 5.24, residual support = 123.0: O QG2 ILE 24 - HG13 ILE 24 33.333% * 97.7700% (0.68 10.0 1.00 5.35 125.79) = 97.770% kept QD1 LEU 42 - HG13 ILE 24 33.333% * 1.6958% (0.44 1.0 1.00 0.53 1.65) = 1.696% kept T QD1 ILE 96 - HG13 ILE 24 33.333% * 0.5342% (0.37 1.0 10.00 0.02 0.10) = 0.534% Peak 1814 (1.07, 0.82, 27.95 ppm): 3 chemical-shift based assignments, quality = 0.816, support = 2.07, residual support = 10.3: QG1 VAL 52 - HG13 ILE 24 33.333% * 98.5089% (0.83 2.10 10.45) = 98.509% kept HG13 ILE 85 - HG13 ILE 24 33.333% * 0.8999% (0.79 0.02 0.02) = 0.900% HG2 LYS+ 56 - HG13 ILE 24 33.333% * 0.5913% (0.52 0.02 0.02) = 0.591% Peak 1815 (1.81, 0.82, 27.95 ppm): 9 chemical-shift based assignments, quality = 0.5, support = 3.93, residual support = 109.1: O T HB ILE 24 - HG13 ILE 24 11.111% * 82.8661% (0.48 10.0 10.00 4.26 125.79) = 82.866% kept HD3 PRO 25 - HG13 ILE 24 11.111% * 8.1330% (0.22 1.0 1.00 4.29 58.32) = 8.133% kept HG LEU 42 - HG13 ILE 24 11.111% * 4.8562% (0.96 1.0 1.00 0.59 1.65) = 4.856% kept HG2 ARG+ 53 - HG13 ILE 24 11.111% * 3.7734% (0.94 1.0 1.00 0.47 0.22) = 3.773% kept HB3 LYS+ 17 - HG13 ILE 24 11.111% * 0.1572% (0.91 1.0 1.00 0.02 3.63) = 0.157% HG LEU 82 - HG13 ILE 24 11.111% * 0.0700% (0.41 1.0 1.00 0.02 0.02) = 0.070% HD2 LYS+ 55 - HG13 ILE 24 11.111% * 0.0639% (0.37 1.0 1.00 0.02 0.02) = 0.064% HG3 ARG+ 53 - HG13 ILE 24 11.111% * 0.0425% (0.25 1.0 1.00 0.02 0.22) = 0.042% HB3 LYS+ 20 - HG13 ILE 24 11.111% * 0.0379% (0.22 1.0 1.00 0.02 3.50) = 0.038% Peak 1816 (1.81, 1.11, 27.95 ppm): 9 chemical-shift based assignments, quality = 0.479, support = 4.63, residual support = 110.9: O HB ILE 24 - HG12 ILE 24 11.111% * 83.8349% (0.48 10.0 4.97 125.79) = 83.835% kept HD3 PRO 25 - HG12 ILE 24 11.111% * 8.9553% (0.22 1.0 4.67 58.32) = 8.955% kept HB3 LYS+ 17 - HG12 ILE 24 11.111% * 5.9622% (0.91 1.0 0.75 3.63) = 5.962% kept HB3 LYS+ 20 - HG12 ILE 24 11.111% * 0.7401% (0.22 1.0 0.39 3.50) = 0.740% HG LEU 42 - HG12 ILE 24 11.111% * 0.1662% (0.96 1.0 0.02 1.65) = 0.166% HG2 ARG+ 53 - HG12 ILE 24 11.111% * 0.1629% (0.94 1.0 0.02 0.22) = 0.163% HG LEU 82 - HG12 ILE 24 11.111% * 0.0708% (0.41 1.0 0.02 0.02) = 0.071% HD2 LYS+ 55 - HG12 ILE 24 11.111% * 0.0646% (0.37 1.0 0.02 0.02) = 0.065% HG3 ARG+ 53 - HG12 ILE 24 11.111% * 0.0429% (0.25 1.0 0.02 0.22) = 0.043% Peak 1817 (3.43, 1.11, 27.95 ppm): 4 chemical-shift based assignments, quality = 0.951, support = 5.94, residual support = 125.0: O T HA ILE 24 - HG12 ILE 24 25.000% * 99.4013% (0.96 10.0 10.00 5.97 125.79) = 99.401% kept HB2 TRP 50 - HG12 ILE 24 25.000% * 0.4575% (0.89 1.0 1.00 0.10 0.02) = 0.457% HD2 ARG+ 90 - HG12 ILE 24 25.000% * 0.0787% (0.76 1.0 1.00 0.02 0.12) = 0.079% HB2 TRP 67 - HG12 ILE 24 25.000% * 0.0625% (0.60 1.0 1.00 0.02 0.02) = 0.062% Peak 1818 (3.43, 0.82, 27.95 ppm): 5 chemical-shift based assignments, quality = 0.98, support = 5.23, residual support = 125.5: O T HA ILE 24 - HG13 ILE 24 20.000% * 99.7802% (0.98 10.0 10.00 5.24 125.79) = 99.780% kept HD2 ARG+ 90 - HG13 ILE 24 20.000% * 0.0952% (0.94 1.0 1.00 0.02 0.12) = 0.095% HB2 TRP 50 - HG13 ILE 24 20.000% * 0.0692% (0.68 1.0 1.00 0.02 0.02) = 0.069% HB2 TRP 67 - HG13 ILE 24 20.000% * 0.0378% (0.37 1.0 1.00 0.02 0.02) = 0.038% QD ARG+ 53 - HG13 ILE 24 20.000% * 0.0176% (0.17 1.0 1.00 0.02 0.22) = 0.018% Peak 1819 (2.67, 0.34, 52.55 ppm): 4 chemical-shift based assignments, quality = 0.76, support = 5.48, residual support = 58.2: T HD2 PRO 25 - QD1 ILE 24 25.000% * 99.7086% (0.76 10.00 5.50 58.32) = 99.709% kept HB3 ASP- 73 - QD1 ILE 24 25.000% * 0.1279% (0.98 1.00 0.02 0.02) = 0.128% QG MET 101 - QD1 ILE 24 25.000% * 0.0844% (0.65 1.00 0.02 0.02) = 0.084% HG2 MET 10 - QD1 ILE 24 25.000% * 0.0791% (0.61 1.00 0.02 0.02) = 0.079% Peak 1820 (1.32, 0.34, 52.55 ppm): 7 chemical-shift based assignments, quality = 0.328, support = 0.688, residual support = 6.61: T HG LEU 63 - QD1 ILE 24 14.286% * 45.6054% (0.31 10.00 0.91 9.34) = 45.605% kept T HG12 ILE 14 - QD1 ILE 24 14.286% * 27.9699% (0.49 10.00 0.36 0.62) = 27.970% kept T HB3 LEU 63 - QD1 ILE 24 14.286% * 23.3384% (0.20 10.00 0.73 9.34) = 23.338% kept T QG LYS+ 60 - QD1 ILE 24 14.286% * 2.7901% (0.20 10.00 0.09 0.02) = 2.790% kept QG2 THR 51 - QD1 ILE 24 14.286% * 0.1963% (0.61 1.00 0.02 0.02) = 0.196% QB ALA 34 - QD1 ILE 24 14.286% * 0.0499% (0.15 1.00 0.02 0.02) = 0.050% HD2 LYS+ 56 - QD1 ILE 24 14.286% * 0.0499% (0.15 1.00 0.02 0.02) = 0.050% Peak 1822 (6.14, 0.62, 57.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1823 (7.09, 0.62, 57.73 ppm): 1 chemical-shift based assignment, quality = 0.605, support = 0.02, residual support = 0.324: HD22 ASN 69 - QG2 ILE 24 100.000% *100.0000% (0.61 0.02 0.32) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1824 (7.56, 0.62, 57.73 ppm): 2 chemical-shift based assignments, quality = 0.987, support = 1.3, residual support = 0.859: HN ASN 29 - QG2 ILE 24 50.000% * 83.9301% (1.00 1.49 1.02) = 83.930% kept HN LYS+ 80 - QG2 ILE 24 50.000% * 16.0699% (0.94 0.30 0.02) = 16.070% kept Peak 1825 (8.04, 0.62, 57.73 ppm): 4 chemical-shift based assignments, quality = 0.622, support = 3.71, residual support = 8.71: HN PHE 28 - QG2 ILE 24 25.000% * 92.9584% (0.65 3.96 9.33) = 92.958% kept HN MET 54 - QG2 ILE 24 25.000% * 5.8428% (0.37 0.43 0.58) = 5.843% kept HN ASP- 87 - QG2 ILE 24 25.000% * 0.6697% (0.92 0.02 0.02) = 0.670% HN ARG+ 48 - QG2 ILE 24 25.000% * 0.5291% (0.73 0.02 0.02) = 0.529% Peak 1826 (8.37, 0.62, 57.73 ppm): 2 chemical-shift based assignments, quality = 0.244, support = 5.84, residual support = 108.0: HN ILE 24 - QG2 ILE 24 50.000% * 85.4681% (0.22 6.72 125.79) = 85.468% kept HN LYS+ 20 - QG2 ILE 24 50.000% * 14.5319% (0.37 0.68 3.50) = 14.532% kept Peak 1827 (7.07, 1.11, 27.95 ppm): 1 chemical-shift based assignment, quality = 0.561, support = 1.21, residual support = 3.63: HN LYS+ 17 - HG12 ILE 24 100.000% *100.0000% (0.56 1.21 3.63) = 100.000% kept Peak 1828 (8.37, 1.11, 27.95 ppm): 2 chemical-shift based assignments, quality = 0.248, support = 4.15, residual support = 104.0: HN ILE 24 - HG12 ILE 24 50.000% * 82.1554% (0.22 4.92 125.79) = 82.155% kept HN LYS+ 20 - HG12 ILE 24 50.000% * 17.8446% (0.37 0.63 3.50) = 17.845% kept Peak 1829 (8.37, 0.82, 27.95 ppm): 1 chemical-shift based assignment, quality = 0.174, support = 1.02, residual support = 3.5: HN LYS+ 20 - HG13 ILE 24 100.000% *100.0000% (0.17 1.02 3.50) = 100.000% kept Not enough quality. Peak unassigned. Peak 1830 (5.35, 0.34, 52.55 ppm): 2 chemical-shift based assignments, quality = 0.201, support = 0.02, residual support = 0.934: HA LEU 42 - QD1 ILE 24 50.000% * 55.9714% (0.22 0.02 1.65) = 55.971% kept HA THR 91 - QD1 ILE 24 50.000% * 44.0286% (0.17 0.02 0.02) = 44.029% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1831 (6.14, 0.34, 52.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1832 (6.76, 0.34, 52.55 ppm): 1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02: HN ASN 74 - QD1 ILE 24 100.000% *100.0000% (0.15 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1833 (7.06, 0.34, 52.55 ppm): 1 chemical-shift based assignment, quality = 0.989, support = 2.41, residual support = 3.63: HN LYS+ 17 - QD1 ILE 24 100.000% *100.0000% (0.99 2.41 3.63) = 100.000% kept Peak 1834 (8.37, 0.34, 52.55 ppm): 1 chemical-shift based assignment, quality = 0.175, support = 2.03, residual support = 3.5: HN LYS+ 20 - QD1 ILE 24 100.000% *100.0000% (0.17 2.03 3.50) = 100.000% kept Not enough quality. Peak unassigned. Peak 1835 (8.90, 0.34, 52.55 ppm): 5 chemical-shift based assignments, quality = 0.897, support = 2.77, residual support = 6.4: HN LEU 63 - QD1 ILE 24 20.000% * 63.4738% (0.99 3.33 9.34) = 63.474% kept HN GLU- 16 - QD1 ILE 24 20.000% * 31.0732% (0.83 1.93 1.11) = 31.073% kept HN PHE 62 - QD1 ILE 24 20.000% * 4.1590% (0.15 1.40 3.16) = 4.159% kept HN VAL 65 - QD1 ILE 24 20.000% * 1.2178% (0.34 0.19 0.02) = 1.218% kept HN ASP- 41 - QD1 ILE 24 20.000% * 0.0762% (0.20 0.02 0.02) = 0.076% Peak 1836 (3.41, 2.66, 50.28 ppm): 3 chemical-shift based assignments, quality = 0.409, support = 6.16, residual support = 58.1: O T HA ILE 24 - HD2 PRO 25 33.333% * 99.6394% (0.41 10.0 10.00 6.18 58.32) = 99.639% kept QD ARG+ 53 - HD2 PRO 25 33.333% * 0.1941% (0.80 1.0 1.00 0.02 0.02) = 0.194% HD2 ARG+ 90 - HD2 PRO 25 33.333% * 0.1665% (0.69 1.0 1.00 0.02 0.02) = 0.166% Peak 1837 (2.65, 1.83, 50.28 ppm): 6 chemical-shift based assignments, quality = 0.893, support = 6.08, residual support = 97.4: O T HD2 PRO 25 - HD3 PRO 25 16.667% * 98.6663% (0.89 10.0 10.00 6.16 98.73) = 98.666% kept T HG2 MET 10 - HD3 PRO 25 16.667% * 1.0784% (0.98 1.0 10.00 0.02 0.30) = 1.078% kept QG MET 101 - HD3 PRO 25 16.667% * 0.1062% (0.96 1.0 1.00 0.02 0.02) = 0.106% HB3 ASP- 73 - HD3 PRO 25 16.667% * 0.0667% (0.61 1.0 1.00 0.02 0.02) = 0.067% HB2 ASP- 41 - HD3 PRO 25 16.667% * 0.0579% (0.52 1.0 1.00 0.02 0.02) = 0.058% HA VAL 71 - HD3 PRO 25 16.667% * 0.0245% (0.22 1.0 1.00 0.02 1.51) = 0.024% Peak 1838 (3.41, 1.83, 50.28 ppm): 3 chemical-shift based assignments, quality = 0.449, support = 5.06, residual support = 52.2: O T HA ILE 24 - HD3 PRO 25 33.333% * 89.5328% (0.41 10.0 10.00 5.64 58.32) = 89.533% kept T QD ARG+ 53 - HD3 PRO 25 33.333% * 8.9712% (0.80 1.0 10.00 0.10 0.02) = 8.971% kept T HD2 ARG+ 90 - HD3 PRO 25 33.333% * 1.4960% (0.69 1.0 10.00 0.02 0.02) = 1.496% kept Peak 1839 (6.12, 1.83, 50.28 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1840 (6.12, 2.66, 50.28 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1841 (4.53, 4.17, 63.62 ppm): 4 chemical-shift based assignments, quality = 0.555, support = 1.48, residual support = 3.49: HB2 SER 18 - HA PRO 25 25.000% * 52.0792% (0.63 1.50 2.58) = 52.079% kept HA LEU 22 - HA PRO 25 25.000% * 21.0077% (0.93 0.41 0.02) = 21.008% kept HA LEU 22 - HA SER 19 25.000% * 13.6017% (0.13 1.86 0.48) = 13.602% kept HB2 SER 18 - HA SER 19 25.000% * 13.3115% (0.09 2.67 15.60) = 13.311% kept Peak 1842 (7.04, 4.17, 63.62 ppm): 2 chemical-shift based assignments, quality = 0.692, support = 3.72, residual support = 5.47: HN LYS+ 17 - HA PRO 25 50.000% * 91.1093% (0.75 3.83 5.56) = 91.109% kept HN LYS+ 17 - HA SER 19 50.000% * 8.8907% (0.11 2.60 4.53) = 8.891% kept Peak 1843 (8.24, 4.17, 63.62 ppm): 6 chemical-shift based assignments, quality = 0.0953, support = 2.57, residual support = 3.52: O HN SER 19 - HA SER 19 16.667% * 56.3526% (0.03 10.0 3.08 5.70) = 56.353% kept HN SER 19 - HA PRO 25 16.667% * 40.4758% (0.19 1.0 2.06 0.76) = 40.476% kept HN ILE 96 - HA SER 19 16.667% * 1.5763% (0.07 1.0 0.23 0.02) = 1.576% kept HN ILE 96 - HA PRO 25 16.667% * 0.9650% (0.48 1.0 0.02 0.02) = 0.965% HN ASP- 3 - HA PRO 25 16.667% * 0.5512% (0.27 1.0 0.02 0.02) = 0.551% HN ASP- 3 - HA SER 19 16.667% * 0.0792% (0.04 1.0 0.02 0.02) = 0.079% Not enough quality. Peak unassigned. Peak 1844 (8.33, 4.17, 63.62 ppm): 10 chemical-shift based assignments, quality = 0.553, support = 3.42, residual support = 33.2: HN ILE 24 - HA PRO 25 10.000% * 54.5932% (0.78 1.0 4.52 58.32) = 54.593% kept O HN LYS+ 20 - HA SER 19 10.000% * 26.3046% (0.09 10.0 2.44 4.51) = 26.305% kept HN LYS+ 20 - HA PRO 25 10.000% * 16.4448% (0.59 1.0 1.80 0.73) = 16.445% kept HN VAL 7 - HA PRO 25 10.000% * 2.2407% (0.19 1.0 0.75 1.33) = 2.241% kept HN GLY 5 - HA PRO 25 10.000% * 0.2856% (0.93 1.0 0.02 0.02) = 0.286% HN GLY 5 - HA SER 19 10.000% * 0.0410% (0.13 1.0 0.02 0.02) = 0.041% HN ALA 2 - HA PRO 25 10.000% * 0.0409% (0.13 1.0 0.02 0.02) = 0.041% HN ILE 24 - HA SER 19 10.000% * 0.0347% (0.11 1.0 0.02 0.02) = 0.035% HN VAL 7 - HA SER 19 10.000% * 0.0086% (0.03 1.0 0.02 0.02) = 0.009% HN ALA 2 - HA SER 19 10.000% * 0.0059% (0.02 1.0 0.02 0.02) = 0.006% Peak 1845 (8.01, 4.17, 63.62 ppm): 18 chemical-shift based assignments, quality = 0.91, support = 4.57, residual support = 18.7: O HN LEU 26 - HA PRO 25 5.556% * 86.5035% (0.98 10.0 4.87 21.19) = 86.503% kept HN SER 18 - HA PRO 25 5.556% * 8.1522% (0.59 1.0 3.10 2.58) = 8.152% kept HN PHE 28 - HA PRO 25 5.556% * 4.1091% (0.37 1.0 2.53 4.12) = 4.109% kept HN SER 18 - HA SER 19 5.556% * 0.9662% (0.09 1.0 2.56 15.60) = 0.966% HN ASP- 44 - HA PRO 25 5.556% * 0.0694% (0.78 1.0 0.02 0.02) = 0.069% HD21 ASN 69 - HA PRO 25 5.556% * 0.0596% (0.67 1.0 0.02 0.90) = 0.060% HN ALA 34 - HA PRO 25 5.556% * 0.0325% (0.37 1.0 0.02 0.02) = 0.033% HN THR 4 - HA PRO 25 5.556% * 0.0268% (0.30 1.0 0.02 0.02) = 0.027% HN ARG+ 48 - HA PRO 25 5.556% * 0.0186% (0.21 1.0 0.02 0.02) = 0.019% HN ASP- 87 - HA PRO 25 5.556% * 0.0134% (0.15 1.0 0.02 0.02) = 0.013% HN LEU 26 - HA SER 19 5.556% * 0.0124% (0.14 1.0 0.02 0.02) = 0.012% HN ASP- 44 - HA SER 19 5.556% * 0.0100% (0.11 1.0 0.02 0.02) = 0.010% HD21 ASN 69 - HA SER 19 5.556% * 0.0086% (0.10 1.0 0.02 0.02) = 0.009% HN ALA 34 - HA SER 19 5.556% * 0.0047% (0.05 1.0 0.02 0.38) = 0.005% HN PHE 28 - HA SER 19 5.556% * 0.0047% (0.05 1.0 0.02 0.02) = 0.005% HN THR 4 - HA SER 19 5.556% * 0.0038% (0.04 1.0 0.02 0.02) = 0.004% HN ARG+ 48 - HA SER 19 5.556% * 0.0027% (0.03 1.0 0.02 0.55) = 0.003% HN ASP- 87 - HA SER 19 5.556% * 0.0019% (0.02 1.0 0.02 0.02) = 0.002% Peak 1846 (8.02, 2.25, 32.25 ppm): 7 chemical-shift based assignments, quality = 0.622, support = 4.76, residual support = 17.5: O HN LEU 26 - HB2 PRO 25 14.286% * 78.5722% (0.59 10.0 5.26 21.19) = 78.572% kept HN PHE 28 - HB2 PRO 25 14.286% * 18.3886% (0.87 1.0 3.17 4.12) = 18.389% kept HN SER 18 - HB2 PRO 25 14.286% * 2.1442% (0.15 1.0 2.15 2.58) = 2.144% kept HN ASP- 87 - HB2 PRO 25 14.286% * 0.7826% (0.59 1.0 0.20 0.02) = 0.783% HN ARG+ 48 - HB2 PRO 25 14.286% * 0.0507% (0.38 1.0 0.02 0.02) = 0.051% HN ASP- 44 - HB2 PRO 25 14.286% * 0.0360% (0.27 1.0 0.02 0.02) = 0.036% HD21 ASN 69 - HB2 PRO 25 14.286% * 0.0256% (0.19 1.0 0.02 0.90) = 0.026% Peak 1847 (8.69, 2.25, 32.25 ppm): 3 chemical-shift based assignments, quality = 0.667, support = 0.0882, residual support = 0.02: HN ASP- 78 - HB2 PRO 25 33.333% * 76.2851% (0.62 0.11 0.02) = 76.285% kept HN GLY 98 - HB2 PRO 25 33.333% * 20.3892% (0.91 0.02 0.02) = 20.389% kept HN LYS+ 56 - HB2 PRO 25 33.333% * 3.3257% (0.15 0.02 0.02) = 3.326% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1848 (1.50, 4.17, 63.62 ppm): 12 chemical-shift based assignments, quality = 0.841, support = 5.86, residual support = 86.9: O T HG3 PRO 25 - HA PRO 25 8.333% * 87.5472% (0.85 10.0 10.00 6.48 98.73) = 87.547% kept HG3 LYS+ 17 - HA PRO 25 8.333% * 8.6692% (0.82 1.0 1.00 2.06 5.56) = 8.669% kept T HG12 ILE 95 - HA PRO 25 8.333% * 3.4425% (0.75 1.0 10.00 0.09 0.02) = 3.442% kept T HG3 PRO 25 - HA SER 19 8.333% * 0.1258% (0.12 1.0 10.00 0.02 0.76) = 0.126% T HG12 ILE 95 - HA SER 19 8.333% * 0.1108% (0.11 1.0 10.00 0.02 0.02) = 0.111% HG2 ARG+ 48 - HA PRO 25 8.333% * 0.0452% (0.44 1.0 1.00 0.02 0.02) = 0.045% HG2 GLU- 23 - HA PRO 25 8.333% * 0.0200% (0.19 1.0 1.00 0.02 0.02) = 0.020% HB3 PHE 84 - HA PRO 25 8.333% * 0.0156% (0.15 1.0 1.00 0.02 0.02) = 0.016% HG3 LYS+ 17 - HA SER 19 8.333% * 0.0121% (0.12 1.0 1.00 0.02 4.53) = 0.012% HG2 ARG+ 48 - HA SER 19 8.333% * 0.0065% (0.06 1.0 1.00 0.02 0.55) = 0.006% HG2 GLU- 23 - HA SER 19 8.333% * 0.0029% (0.03 1.0 1.00 0.02 1.26) = 0.003% HB3 PHE 84 - HA SER 19 8.333% * 0.0022% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 1849 (0.29, 4.17, 63.62 ppm): 2 chemical-shift based assignments, quality = 0.333, support = 0.836, residual support = 1.33: QG1 VAL 7 - HA PRO 25 50.000% * 99.6587% (0.33 0.84 1.33) = 99.659% kept QG1 VAL 7 - HA SER 19 50.000% * 0.3413% (0.05 0.02 0.02) = 0.341% Peak 1850 (0.76, 4.17, 63.62 ppm): 6 chemical-shift based assignments, quality = 0.948, support = 0.397, residual support = 1.47: T QG2 VAL 71 - HA PRO 25 16.667% * 97.6050% (0.97 10.00 0.41 1.51) = 97.605% kept QD1 LEU 43 - HA SER 19 16.667% * 0.7065% (0.10 1.00 0.28 0.02) = 0.707% T QG2 VAL 71 - HA SER 19 16.667% * 0.6891% (0.14 10.00 0.02 0.54) = 0.689% QG1 VAL 61 - HA PRO 25 16.667% * 0.6323% (0.22 1.00 0.12 0.02) = 0.632% QD1 LEU 43 - HA PRO 25 16.667% * 0.3515% (0.71 1.00 0.02 0.02) = 0.352% QG1 VAL 61 - HA SER 19 16.667% * 0.0155% (0.03 1.00 0.02 0.02) = 0.015% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1851 (0.60, 1.83, 50.28 ppm): 3 chemical-shift based assignments, quality = 0.645, support = 4.72, residual support = 58.3: T QG2 ILE 24 - HD3 PRO 25 33.333% * 99.8839% (0.65 10.00 4.73 58.32) = 99.884% kept QD1 LEU 42 - HD3 PRO 25 33.333% * 0.0635% (0.41 1.00 0.02 0.02) = 0.063% QD1 ILE 96 - HD3 PRO 25 33.333% * 0.0527% (0.34 1.00 0.02 0.02) = 0.053% Peak 1852 (1.82, 2.66, 50.28 ppm): 8 chemical-shift based assignments, quality = 0.892, support = 6.01, residual support = 88.0: O T HD3 PRO 25 - HD2 PRO 25 12.500% * 74.5551% (0.87 10.0 10.00 6.16 98.73) = 74.555% kept HB ILE 24 - HD2 PRO 25 12.500% * 24.7282% (1.00 1.0 1.00 5.75 58.32) = 24.728% kept T QE MET 10 - HD2 PRO 25 12.500% * 0.5213% (0.61 1.0 10.00 0.02 0.30) = 0.521% HG2 ARG+ 53 - HD2 PRO 25 12.500% * 0.0590% (0.69 1.0 1.00 0.02 0.02) = 0.059% HG LEU 42 - HD2 PRO 25 12.500% * 0.0556% (0.65 1.0 1.00 0.02 0.02) = 0.056% HB3 ARG+ 90 - HD2 PRO 25 12.500% * 0.0418% (0.49 1.0 1.00 0.02 0.02) = 0.042% HB3 LYS+ 17 - HD2 PRO 25 12.500% * 0.0239% (0.28 1.0 1.00 0.02 5.56) = 0.024% HG3 PRO 33 - HD2 PRO 25 12.500% * 0.0151% (0.17 1.0 1.00 0.02 0.02) = 0.015% Peak 1853 (1.51, 2.66, 50.28 ppm): 5 chemical-shift based assignments, quality = 0.964, support = 6.71, residual support = 93.2: O T HG3 PRO 25 - HD2 PRO 25 20.000% * 94.4465% (1.00 10.0 10.00 7.03 98.73) = 94.447% kept HG2 GLU- 23 - HD2 PRO 25 20.000% * 3.4224% (0.41 1.0 1.00 1.76 0.02) = 3.422% kept T HG12 ILE 95 - HD2 PRO 25 20.000% * 2.0564% (0.49 1.0 10.00 0.09 0.02) = 2.056% kept HG3 LYS+ 17 - HD2 PRO 25 20.000% * 0.0536% (0.56 1.0 1.00 0.02 5.56) = 0.054% HG2 ARG+ 48 - HD2 PRO 25 20.000% * 0.0211% (0.22 1.0 1.00 0.02 0.02) = 0.021% Peak 1854 (1.69, 2.66, 50.28 ppm): 10 chemical-shift based assignments, quality = 0.963, support = 5.21, residual support = 94.4: O HG2 PRO 25 - HD2 PRO 25 10.000% * 94.4588% (1.00 10.0 5.38 98.73) = 94.459% kept HG LEU 26 - HD2 PRO 25 10.000% * 5.1567% (0.45 1.0 2.43 21.19) = 5.157% kept HB3 LYS+ 55 - HD2 PRO 25 10.000% * 0.0758% (0.80 1.0 0.02 0.02) = 0.076% HD3 LYS+ 55 - HD2 PRO 25 10.000% * 0.0758% (0.80 1.0 0.02 0.02) = 0.076% QD LYS+ 17 - HD2 PRO 25 10.000% * 0.0536% (0.56 1.0 0.02 5.56) = 0.054% HB2 LEU 43 - HD2 PRO 25 10.000% * 0.0498% (0.52 1.0 0.02 0.02) = 0.050% QD LYS+ 60 - HD2 PRO 25 10.000% * 0.0498% (0.52 1.0 0.02 0.02) = 0.050% QD LYS+ 11 - HD2 PRO 25 10.000% * 0.0323% (0.34 1.0 0.02 0.02) = 0.032% QB GLU- 30 - HD2 PRO 25 10.000% * 0.0263% (0.28 1.0 0.02 0.02) = 0.026% QB PRO 12 - HD2 PRO 25 10.000% * 0.0211% (0.22 1.0 0.02 0.02) = 0.021% Peak 1855 (0.60, 2.66, 50.28 ppm): 3 chemical-shift based assignments, quality = 0.645, support = 5.41, residual support = 58.3: T QG2 ILE 24 - HD2 PRO 25 33.333% * 99.8839% (0.65 10.00 5.42 58.32) = 99.884% kept QD1 LEU 42 - HD2 PRO 25 33.333% * 0.0635% (0.41 1.00 0.02 0.02) = 0.063% QD1 ILE 96 - HD2 PRO 25 33.333% * 0.0527% (0.34 1.00 0.02 0.02) = 0.053% Peak 1856 (0.32, 2.66, 50.28 ppm): 4 chemical-shift based assignments, quality = 0.588, support = 4.36, residual support = 41.9: T QD1 ILE 24 - HD2 PRO 25 25.000% * 71.2262% (0.49 10.00 5.50 58.32) = 71.226% kept QG1 VAL 7 - HD2 PRO 25 25.000% * 10.1148% (0.80 1.00 1.73 1.33) = 10.115% kept QD1 LEU 63 - HD2 PRO 25 25.000% * 9.7237% (0.87 1.00 1.53 1.08) = 9.724% kept QG1 VAL 71 - HD2 PRO 25 25.000% * 8.9353% (0.87 1.00 1.41 1.51) = 8.935% kept Peak 1857 (0.34, 1.83, 50.28 ppm): 4 chemical-shift based assignments, quality = 0.96, support = 4.52, residual support = 50.6: T QD1 ILE 24 - HD3 PRO 25 25.000% * 86.5281% (1.00 10.00 4.93 58.32) = 86.528% kept QD1 LEU 63 - HD3 PRO 25 25.000% * 7.4540% (0.80 1.00 2.15 1.08) = 7.454% kept QG1 VAL 71 - HD3 PRO 25 25.000% * 4.1946% (0.80 1.00 1.21 1.51) = 4.195% kept QG1 VAL 7 - HD3 PRO 25 25.000% * 1.8233% (0.17 1.00 2.41 1.33) = 1.823% kept Peak 1858 (1.67, 1.51, 28.27 ppm): 16 chemical-shift based assignments, quality = 0.719, support = 4.65, residual support = 97.9: O HG2 PRO 25 - HG3 PRO 25 6.250% * 99.2094% (0.72 10.0 4.69 98.73) = 99.209% kept HB3 LYS+ 55 - HG3 PRO 25 6.250% * 0.1339% (0.98 1.0 0.02 0.02) = 0.134% QD LYS+ 17 - HG3 PRO 25 6.250% * 0.1339% (0.98 1.0 0.02 5.56) = 0.134% HB2 LEU 43 - HG3 PRO 25 6.250% * 0.1319% (0.96 1.0 0.02 0.02) = 0.132% QD LYS+ 11 - HG3 PRO 25 6.250% * 0.1141% (0.83 1.0 0.02 0.02) = 0.114% QB PRO 12 - HG3 PRO 25 6.250% * 0.0938% (0.69 1.0 0.02 0.02) = 0.094% HB2 LYS+ 56 - HG3 PRO 25 6.250% * 0.0513% (0.37 1.0 0.02 0.02) = 0.051% HD3 LYS+ 55 - HG3 PRO 25 6.250% * 0.0422% (0.31 1.0 0.02 0.02) = 0.042% HB3 LYS+ 55 - HG12 ILE 95 6.250% * 0.0150% (0.11 1.0 0.02 0.27) = 0.015% QD LYS+ 17 - HG12 ILE 95 6.250% * 0.0150% (0.11 1.0 0.02 0.02) = 0.015% HB2 LEU 43 - HG12 ILE 95 6.250% * 0.0147% (0.11 1.0 0.02 1.95) = 0.015% QD LYS+ 11 - HG12 ILE 95 6.250% * 0.0128% (0.09 1.0 0.02 0.02) = 0.013% HG2 PRO 25 - HG12 ILE 95 6.250% * 0.0111% (0.08 1.0 0.02 0.02) = 0.011% QB PRO 12 - HG12 ILE 95 6.250% * 0.0105% (0.08 1.0 0.02 0.02) = 0.010% HB2 LYS+ 56 - HG12 ILE 95 6.250% * 0.0057% (0.04 1.0 0.02 0.02) = 0.006% HD3 LYS+ 55 - HG12 ILE 95 6.250% * 0.0047% (0.03 1.0 0.02 0.27) = 0.005% Peak 1859 (2.23, 1.51, 28.27 ppm): 12 chemical-shift based assignments, quality = 0.761, support = 6.01, residual support = 98.5: O HB2 PRO 25 - HG3 PRO 25 8.333% * 99.7874% (0.76 10.0 6.02 98.73) = 99.787% kept QG GLU- 77 - HG3 PRO 25 8.333% * 0.0537% (0.41 1.0 0.02 0.02) = 0.054% HB3 GLN 8 - HG3 PRO 25 8.333% * 0.0363% (0.28 1.0 0.02 0.58) = 0.036% HB2 MET 101 - HG3 PRO 25 8.333% * 0.0363% (0.28 1.0 0.02 0.02) = 0.036% HB2 GLU- 77 - HG3 PRO 25 8.333% * 0.0291% (0.22 1.0 0.02 0.02) = 0.029% QG GLU- 6 - HG3 PRO 25 8.333% * 0.0258% (0.20 1.0 0.02 0.02) = 0.026% HB2 PRO 25 - HG12 ILE 95 8.333% * 0.0112% (0.09 1.0 0.02 0.02) = 0.011% QG GLU- 77 - HG12 ILE 95 8.333% * 0.0060% (0.05 1.0 0.02 0.02) = 0.006% HB3 GLN 8 - HG12 ILE 95 8.333% * 0.0041% (0.03 1.0 0.02 5.29) = 0.004% HB2 MET 101 - HG12 ILE 95 8.333% * 0.0041% (0.03 1.0 0.02 0.02) = 0.004% HB2 GLU- 77 - HG12 ILE 95 8.333% * 0.0033% (0.02 1.0 0.02 0.02) = 0.003% QG GLU- 6 - HG12 ILE 95 8.333% * 0.0029% (0.02 1.0 0.02 0.02) = 0.003% Peak 1860 (3.42, 1.51, 28.27 ppm): 10 chemical-shift based assignments, quality = 0.973, support = 5.95, residual support = 54.6: HA ILE 24 - HG3 PRO 25 10.000% * 93.5359% (0.98 6.33 58.32) = 93.536% kept HD2 ARG+ 90 - HG3 PRO 25 10.000% * 6.0012% (0.96 0.41 0.02) = 6.001% kept HB2 TRP 50 - HG3 PRO 25 10.000% * 0.1950% (0.65 0.02 0.02) = 0.195% HB2 TRP 67 - HG3 PRO 25 10.000% * 0.1028% (0.34 0.02 0.02) = 0.103% QD ARG+ 53 - HG3 PRO 25 10.000% * 0.0596% (0.20 0.02 0.02) = 0.060% HA ILE 24 - HG12 ILE 95 10.000% * 0.0330% (0.11 0.02 0.10) = 0.033% HD2 ARG+ 90 - HG12 ILE 95 10.000% * 0.0325% (0.11 0.02 0.02) = 0.033% HB2 TRP 50 - HG12 ILE 95 10.000% * 0.0218% (0.07 0.02 0.02) = 0.022% HB2 TRP 67 - HG12 ILE 95 10.000% * 0.0115% (0.04 0.02 0.30) = 0.011% QD ARG+ 53 - HG12 ILE 95 10.000% * 0.0067% (0.02 0.02 0.02) = 0.007% Peak 1861 (2.65, 1.51, 28.27 ppm): 10 chemical-shift based assignments, quality = 0.984, support = 7.0, residual support = 98.3: O T HD2 PRO 25 - HG3 PRO 25 10.000% * 99.5391% (0.99 10.0 10.00 7.03 98.73) = 99.539% kept T HD2 PRO 25 - HG12 ILE 95 10.000% * 0.1113% (0.11 1.0 10.00 0.02 0.02) = 0.111% QG MET 101 - HG3 PRO 25 10.000% * 0.1002% (1.00 1.0 1.00 0.02 0.02) = 0.100% HG2 MET 10 - HG3 PRO 25 10.000% * 0.0995% (0.99 1.0 1.00 0.02 0.30) = 0.100% HB3 ASP- 73 - HG3 PRO 25 10.000% * 0.0804% (0.80 1.0 1.00 0.02 0.02) = 0.080% HB2 ASP- 41 - HG3 PRO 25 10.000% * 0.0343% (0.34 1.0 1.00 0.02 0.02) = 0.034% QG MET 101 - HG12 ILE 95 10.000% * 0.0112% (0.11 1.0 1.00 0.02 0.02) = 0.011% HG2 MET 10 - HG12 ILE 95 10.000% * 0.0111% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB3 ASP- 73 - HG12 ILE 95 10.000% * 0.0090% (0.09 1.0 1.00 0.02 0.18) = 0.009% HB2 ASP- 41 - HG12 ILE 95 10.000% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 1862 (2.65, 1.69, 28.27 ppm): 12 chemical-shift based assignments, quality = 0.813, support = 5.29, residual support = 96.9: O T HD2 PRO 25 - HG2 PRO 25 8.333% * 98.1916% (0.83 10.0 10.00 5.38 98.73) = 98.192% kept T HB2 ASP- 41 - HG2 PRO 25 8.333% * 0.7130% (0.60 1.0 10.00 0.02 0.02) = 0.713% T HD2 PRO 25 - QD LYS+ 60 8.333% * 0.5609% (0.47 1.0 10.00 0.02 0.02) = 0.561% HG2 MET 10 - HG2 PRO 25 8.333% * 0.1112% (0.94 1.0 1.00 0.02 0.30) = 0.111% QG MET 101 - HG2 PRO 25 8.333% * 0.1085% (0.91 1.0 1.00 0.02 0.02) = 0.109% HG2 MET 10 - QD LYS+ 60 8.333% * 0.0635% (0.54 1.0 1.00 0.02 0.02) = 0.064% QG MET 101 - QD LYS+ 60 8.333% * 0.0620% (0.52 1.0 1.00 0.02 0.02) = 0.062% HB3 ASP- 73 - HG2 PRO 25 8.333% * 0.0618% (0.52 1.0 1.00 0.02 0.02) = 0.062% HB2 ASP- 41 - QD LYS+ 60 8.333% * 0.0407% (0.34 1.0 1.00 0.02 0.02) = 0.041% HB3 ASP- 73 - QD LYS+ 60 8.333% * 0.0353% (0.30 1.0 1.00 0.02 0.10) = 0.035% HA VAL 71 - HG2 PRO 25 8.333% * 0.0327% (0.28 1.0 1.00 0.02 1.51) = 0.033% HA VAL 71 - QD LYS+ 60 8.333% * 0.0187% (0.16 1.0 1.00 0.02 1.81) = 0.019% Peak 1863 (2.64, 1.75, 32.25 ppm): 12 chemical-shift based assignments, quality = 0.585, support = 6.03, residual support = 97.1: O HD2 PRO 25 - HB3 PRO 25 8.333% * 98.3903% (0.59 10.0 6.13 98.73) = 98.390% kept HB2 ASP- 41 - HB3 PRO 25 8.333% * 0.5966% (0.82 1.0 0.09 0.02) = 0.597% HB2 ASP- 41 - HB2 ARG+ 48 8.333% * 0.3371% (0.53 1.0 0.08 0.02) = 0.337% HG2 MET 10 - HB3 PRO 25 8.333% * 0.1240% (0.75 1.0 0.02 0.30) = 0.124% QG MET 101 - HB3 PRO 25 8.333% * 0.1178% (0.71 1.0 0.02 0.02) = 0.118% HG2 MET 10 - HB2 ARG+ 48 8.333% * 0.0806% (0.49 1.0 0.02 0.02) = 0.081% HA VAL 71 - HB3 PRO 25 8.333% * 0.0790% (0.48 1.0 0.02 1.51) = 0.079% QG MET 101 - HB2 ARG+ 48 8.333% * 0.0766% (0.46 1.0 0.02 0.02) = 0.077% HD2 PRO 25 - HB2 ARG+ 48 8.333% * 0.0640% (0.39 1.0 0.02 0.02) = 0.064% HA VAL 71 - HB2 ARG+ 48 8.333% * 0.0514% (0.31 1.0 0.02 0.33) = 0.051% HB3 ASP- 73 - HB3 PRO 25 8.333% * 0.0501% (0.30 1.0 0.02 0.02) = 0.050% HB3 ASP- 73 - HB2 ARG+ 48 8.333% * 0.0326% (0.20 1.0 0.02 0.02) = 0.033% Peak 1864 (1.70, 4.14, 57.85 ppm): 18 chemical-shift based assignments, quality = 0.756, support = 3.15, residual support = 33.8: O HG LEU 26 - HA LEU 26 5.556% * 72.9926% (0.89 10.0 3.41 41.47) = 72.993% kept O QB GLU- 30 - HA GLU- 30 5.556% * 13.9605% (0.17 10.0 2.14 10.21) = 13.961% kept HG2 PRO 25 - HA LEU 26 5.556% * 9.8957% (0.68 1.0 3.54 21.19) = 9.896% kept HD3 LYS+ 55 - HA LEU 26 5.556% * 1.6414% (0.98 1.0 0.41 0.02) = 1.641% kept HD3 LYS+ 55 - HA GLU- 30 5.556% * 0.7146% (0.23 1.0 0.75 0.12) = 0.715% HG LEU 26 - HA GLU- 30 5.556% * 0.5152% (0.21 1.0 0.60 0.16) = 0.515% QD LYS+ 60 - HA LEU 26 5.556% * 0.0770% (0.94 1.0 0.02 1.92) = 0.077% QB GLU- 30 - HA LEU 26 5.556% * 0.0591% (0.72 1.0 0.02 0.16) = 0.059% HB2 GLU- 23 - HA LEU 26 5.556% * 0.0365% (0.44 1.0 0.02 0.02) = 0.036% HB3 LYS+ 55 - HA LEU 26 5.556% * 0.0278% (0.34 1.0 0.02 0.02) = 0.028% QD LYS+ 60 - HA GLU- 30 5.556% * 0.0182% (0.22 1.0 0.02 0.65) = 0.018% QD LYS+ 17 - HA LEU 26 5.556% * 0.0143% (0.17 1.0 0.02 5.53) = 0.014% HG2 PRO 25 - HA GLU- 30 5.556% * 0.0132% (0.16 1.0 0.02 0.02) = 0.013% HB2 LEU 43 - HA LEU 26 5.556% * 0.0126% (0.15 1.0 0.02 0.02) = 0.013% HB2 GLU- 23 - HA GLU- 30 5.556% * 0.0086% (0.10 1.0 0.02 0.02) = 0.009% HB3 LYS+ 55 - HA GLU- 30 5.556% * 0.0066% (0.08 1.0 0.02 0.12) = 0.007% QD LYS+ 17 - HA GLU- 30 5.556% * 0.0034% (0.04 1.0 0.02 0.98) = 0.003% HB2 LEU 43 - HA GLU- 30 5.556% * 0.0030% (0.04 1.0 0.02 0.02) = 0.003% Peak 1865 (1.59, 4.14, 57.85 ppm): 14 chemical-shift based assignments, quality = 0.79, support = 4.18, residual support = 40.1: O T QB LEU 26 - HA LEU 26 7.143% * 96.6283% (0.79 10.0 10.00 4.32 41.47) = 96.628% kept QG LYS+ 80 - HA LEU 26 7.143% * 2.3934% (0.98 1.0 1.00 0.40 0.02) = 2.393% kept HG12 ILE 85 - HA LEU 26 7.143% * 0.4827% (0.28 1.0 1.00 0.29 0.27) = 0.483% T QB LEU 26 - HA GLU- 30 7.143% * 0.2283% (0.19 1.0 10.00 0.02 0.16) = 0.228% QG ARG+ 90 - HA LEU 26 7.143% * 0.1114% (0.91 1.0 1.00 0.02 0.02) = 0.111% HB ILE 96 - HA LEU 26 7.143% * 0.0301% (0.25 1.0 1.00 0.02 0.02) = 0.030% QG LYS+ 80 - HA GLU- 30 7.143% * 0.0283% (0.23 1.0 1.00 0.02 0.02) = 0.028% HB VAL 94 - HA LEU 26 7.143% * 0.0269% (0.22 1.0 1.00 0.02 0.02) = 0.027% QG ARG+ 90 - HA GLU- 30 7.143% * 0.0263% (0.22 1.0 1.00 0.02 0.02) = 0.026% HG LEU 43 - HA LEU 26 7.143% * 0.0186% (0.15 1.0 1.00 0.02 0.02) = 0.019% HG12 ILE 85 - HA GLU- 30 7.143% * 0.0079% (0.07 1.0 1.00 0.02 0.02) = 0.008% HB ILE 96 - HA GLU- 30 7.143% * 0.0071% (0.06 1.0 1.00 0.02 0.02) = 0.007% HB VAL 94 - HA GLU- 30 7.143% * 0.0063% (0.05 1.0 1.00 0.02 0.02) = 0.006% HG LEU 43 - HA GLU- 30 7.143% * 0.0044% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 1866 (0.92, 1.60, 42.76 ppm): 3 chemical-shift based assignments, quality = 0.811, support = 3.37, residual support = 41.5: O T QD1 LEU 26 - QB LEU 26 33.333% * 68.6085% (0.98 10.0 10.00 3.46 41.47) = 68.608% kept O QD2 LEU 26 - QB LEU 26 33.333% * 31.3807% (0.45 10.0 1.00 3.18 41.47) = 31.381% kept QD1 ILE 85 - QB LEU 26 33.333% * 0.0108% (0.15 1.0 1.00 0.02 0.27) = 0.011% Peak 1868 (2.97, 1.71, 27.30 ppm): 8 chemical-shift based assignments, quality = 0.891, support = 0.68, residual support = 1.76: HD3 ARG+ 48 - HG LEU 26 12.500% * 30.9274% (0.98 0.95 0.77) = 30.927% kept QE LYS+ 17 - HG LEU 26 12.500% * 18.4880% (0.79 0.70 5.53) = 18.488% kept HD3 ARG+ 88 - HG LEU 26 12.500% * 18.3060% (0.96 0.58 0.12) = 18.306% kept HE3 LYS+ 60 - HG LEU 26 12.500% * 15.4966% (0.96 0.49 1.92) = 15.497% kept HB3 PHE 9 - HG LEU 26 12.500% * 12.8250% (0.68 0.57 1.39) = 12.825% kept HB2 ASP- 89 - HG LEU 26 12.500% * 3.2227% (0.91 0.11 0.02) = 3.223% kept QE LYS+ 55 - HG LEU 26 12.500% * 0.6453% (0.97 0.02 0.02) = 0.645% QE LYS+ 11 - HG LEU 26 12.500% * 0.0891% (0.13 0.02 0.02) = 0.089% Peak 1869 (1.60, 0.92, 25.04 ppm): 6 chemical-shift based assignments, quality = 0.976, support = 3.41, residual support = 40.8: O T QB LEU 26 - QD1 LEU 26 16.667% * 98.3883% (0.98 10.0 10.00 3.46 41.47) = 98.388% kept QG LYS+ 80 - QD1 LEU 26 16.667% * 1.4147% (0.94 1.0 1.00 0.30 0.02) = 1.415% kept QG ARG+ 90 - QD1 LEU 26 16.667% * 0.0689% (0.69 1.0 1.00 0.02 0.02) = 0.069% HB ILE 96 - QD1 LEU 26 16.667% * 0.0489% (0.49 1.0 1.00 0.02 0.02) = 0.049% HB VAL 94 - QD1 LEU 26 16.667% * 0.0450% (0.45 1.0 1.00 0.02 0.02) = 0.045% HG LEU 43 - QD1 LEU 26 16.667% * 0.0342% (0.34 1.0 1.00 0.02 0.02) = 0.034% Peak 1870 (1.70, 0.92, 25.04 ppm): 9 chemical-shift based assignments, quality = 0.861, support = 2.63, residual support = 35.2: O HG LEU 26 - QD1 LEU 26 11.111% * 79.2260% (0.89 10.0 2.74 41.47) = 79.226% kept HG2 PRO 25 - QD1 LEU 26 11.111% * 10.2094% (0.69 1.0 3.36 21.19) = 10.209% kept QD LYS+ 60 - QD1 LEU 26 11.111% * 4.6533% (0.94 1.0 1.11 1.92) = 4.653% kept QB GLU- 30 - QD1 LEU 26 11.111% * 3.0346% (0.72 1.0 0.95 0.16) = 3.035% kept QD LYS+ 17 - QD1 LEU 26 11.111% * 1.4669% (0.17 1.0 1.90 5.53) = 1.467% kept HD3 LYS+ 55 - QD1 LEU 26 11.111% * 1.3265% (0.99 1.0 0.30 0.02) = 1.326% kept HB2 GLU- 23 - QD1 LEU 26 11.111% * 0.0396% (0.45 1.0 0.02 0.02) = 0.040% HB3 LYS+ 55 - QD1 LEU 26 11.111% * 0.0301% (0.34 1.0 0.02 0.02) = 0.030% HB2 LEU 43 - QD1 LEU 26 11.111% * 0.0136% (0.15 1.0 0.02 0.02) = 0.014% Peak 1871 (2.16, 0.92, 25.04 ppm): 7 chemical-shift based assignments, quality = 0.948, support = 2.02, residual support = 2.78: T HB2 GLU- 59 - QD1 LEU 26 14.286% * 61.6292% (1.00 10.00 2.51 3.93) = 61.629% kept T HB2 LEU 82 - QD1 LEU 26 14.286% * 35.1184% (0.89 10.00 1.27 0.97) = 35.118% kept QG GLN 8 - QD1 LEU 26 14.286% * 2.5881% (0.76 1.00 1.10 0.52) = 2.588% kept HB2 PHE 84 - QD1 LEU 26 14.286% * 0.6160% (0.61 1.00 0.33 0.02) = 0.616% HB2 ASN 74 - QD1 LEU 26 14.286% * 0.0191% (0.31 1.00 0.02 0.02) = 0.019% HB ILE 85 - QD1 LEU 26 14.286% * 0.0154% (0.25 1.00 0.02 0.27) = 0.015% HB3 MET 101 - QD1 LEU 26 14.286% * 0.0138% (0.22 1.00 0.02 0.02) = 0.014% Peak 1872 (2.26, 0.92, 25.04 ppm): 5 chemical-shift based assignments, quality = 0.411, support = 2.58, residual support = 12.0: T QG GLU- 16 - QD1 LEU 26 20.000% * 54.2899% (0.20 10.00 3.02 14.14) = 54.290% kept HB2 PRO 25 - QD1 LEU 26 20.000% * 19.2226% (0.41 1.00 3.41 21.19) = 19.223% kept HB3 GLN 8 - QD1 LEU 26 20.000% * 15.2272% (0.89 1.00 1.24 0.52) = 15.227% kept HG2 GLN 83 - QD1 LEU 26 20.000% * 10.2307% (0.83 1.00 0.89 1.31) = 10.231% kept T HB VAL 40 - QD1 LEU 26 20.000% * 1.0296% (0.37 10.00 0.02 0.02) = 1.030% kept Peak 1873 (2.97, 0.92, 25.04 ppm): 8 chemical-shift based assignments, quality = 0.855, support = 1.58, residual support = 2.31: QE LYS+ 17 - QD1 LEU 26 12.500% * 27.1058% (0.80 2.21 5.53) = 27.106% kept HB3 PHE 9 - QD1 LEU 26 12.500% * 22.4905% (0.69 2.14 1.39) = 22.491% kept HE3 LYS+ 60 - QD1 LEU 26 12.500% * 18.5210% (0.96 1.25 1.92) = 18.521% kept HD3 ARG+ 48 - QD1 LEU 26 12.500% * 17.4440% (0.99 1.15 0.77) = 17.444% kept HD3 ARG+ 88 - QD1 LEU 26 12.500% * 7.7319% (0.96 0.52 0.12) = 7.732% kept HB2 ASP- 89 - QD1 LEU 26 12.500% * 6.3655% (0.92 0.45 0.02) = 6.365% kept QE LYS+ 55 - QD1 LEU 26 12.500% * 0.2998% (0.98 0.02 0.02) = 0.300% QE LYS+ 11 - QD1 LEU 26 12.500% * 0.0414% (0.14 0.02 0.02) = 0.041% Peak 1874 (4.13, 0.92, 25.04 ppm): 6 chemical-shift based assignments, quality = 0.902, support = 3.02, residual support = 23.9: T HA GLU- 16 - QD1 LEU 26 16.667% * 45.4918% (1.00 10.00 3.18 14.14) = 45.492% kept T HA LEU 26 - QD1 LEU 26 16.667% * 42.0877% (0.92 10.00 3.47 41.47) = 42.088% kept T HA GLU- 30 - QD1 LEU 26 16.667% * 11.6744% (0.52 10.00 0.97 0.16) = 11.674% kept QB SER 19 - QD1 LEU 26 16.667% * 0.6567% (0.92 1.00 0.31 0.02) = 0.657% HA ILE 95 - QD1 LEU 26 16.667% * 0.0447% (0.98 1.00 0.02 0.02) = 0.045% HB THR 39 - QD1 LEU 26 16.667% * 0.0447% (0.98 1.00 0.02 0.02) = 0.045% Peak 1875 (4.49, 0.92, 25.04 ppm): 8 chemical-shift based assignments, quality = 0.708, support = 0.899, residual support = 1.44: HA LYS+ 60 - QD1 LEU 26 12.500% * 46.2495% (0.96 0.87 1.92) = 46.250% kept HB2 SER 18 - QD1 LEU 26 12.500% * 28.5886% (0.34 1.53 1.77) = 28.589% kept HA ASN 69 - QD1 LEU 26 12.500% * 11.4427% (0.76 0.27 0.35) = 11.443% kept HA VAL 61 - QD1 LEU 26 12.500% * 6.2338% (0.34 0.33 0.02) = 6.234% kept HA VAL 7 - QD1 LEU 26 12.500% * 4.7348% (0.99 0.09 0.02) = 4.735% kept HA MET 1 - QD1 LEU 26 12.500% * 1.0362% (0.94 0.02 0.02) = 1.036% kept HA ASN 74 - QD1 LEU 26 12.500% * 0.8772% (0.80 0.02 0.02) = 0.877% HA ASN 100 - QD1 LEU 26 12.500% * 0.8372% (0.76 0.02 0.02) = 0.837% Peak 1876 (4.13, 1.71, 27.30 ppm): 6 chemical-shift based assignments, quality = 0.905, support = 3.24, residual support = 39.5: O T HA LEU 26 - HG LEU 26 16.667% * 93.4391% (0.91 10.0 10.00 3.41 41.47) = 93.439% kept HA GLU- 16 - HG LEU 26 16.667% * 5.1060% (0.99 1.0 1.00 1.01 14.14) = 5.106% kept QB SER 19 - HG LEU 26 16.667% * 0.7239% (0.91 1.0 1.00 0.15 0.02) = 0.724% T HA GLU- 30 - HG LEU 26 16.667% * 0.5325% (0.52 1.0 10.00 0.02 0.16) = 0.533% HA ILE 95 - HG LEU 26 16.667% * 0.0992% (0.97 1.0 1.00 0.02 0.02) = 0.099% HB THR 39 - HG LEU 26 16.667% * 0.0992% (0.97 1.0 1.00 0.02 0.02) = 0.099% Peak 1877 (8.04, 4.14, 57.85 ppm): 10 chemical-shift based assignments, quality = 0.592, support = 3.73, residual support = 22.0: HN PHE 28 - HA LEU 26 10.000% * 45.2833% (0.89 1.0 4.40 15.96) = 45.283% kept O HN LEU 26 - HA LEU 26 10.000% * 35.4384% (0.15 10.0 4.37 41.47) = 35.438% kept HN ASP- 87 - HA LEU 26 10.000% * 9.0958% (0.99 1.0 0.79 0.10) = 9.096% kept HN ARG+ 48 - HA LEU 26 10.000% * 6.1204% (0.61 1.0 0.87 0.77) = 6.120% kept HN PHE 28 - HA GLU- 30 10.000% * 3.9164% (0.21 1.0 1.61 0.02) = 3.916% kept HN ASP- 87 - HA GLU- 30 10.000% * 0.0541% (0.23 1.0 0.02 0.02) = 0.054% HN MET 54 - HA LEU 26 10.000% * 0.0402% (0.17 1.0 0.02 0.02) = 0.040% HN ARG+ 48 - HA GLU- 30 10.000% * 0.0334% (0.14 1.0 0.02 0.15) = 0.033% HN MET 54 - HA GLU- 30 10.000% * 0.0095% (0.04 1.0 0.02 0.02) = 0.010% HN LEU 26 - HA GLU- 30 10.000% * 0.0084% (0.04 1.0 0.02 0.16) = 0.008% Peak 1878 (8.75, 4.14, 57.85 ppm): 8 chemical-shift based assignments, quality = 0.643, support = 5.53, residual support = 29.8: O HN GLY 27 - HA LEU 26 12.500% * 89.6219% (0.64 10.0 6.05 33.11) = 89.622% kept HN MET 10 - HA LEU 26 12.500% * 6.4575% (0.64 1.0 1.44 2.07) = 6.458% kept HN THR 64 - HA LEU 26 12.500% * 1.9972% (0.89 1.0 0.32 0.02) = 1.997% kept HN PHE 13 - HA LEU 26 12.500% * 1.8358% (0.48 1.0 0.54 0.02) = 1.836% kept HN THR 64 - HA GLU- 30 12.500% * 0.0293% (0.21 1.0 0.02 1.76) = 0.029% HN MET 10 - HA GLU- 30 12.500% * 0.0212% (0.15 1.0 0.02 0.02) = 0.021% HN GLY 27 - HA GLU- 30 12.500% * 0.0212% (0.15 1.0 0.02 0.12) = 0.021% HN PHE 13 - HA GLU- 30 12.500% * 0.0159% (0.11 1.0 0.02 0.02) = 0.016% Peak 1879 (8.04, 1.60, 42.76 ppm): 5 chemical-shift based assignments, quality = 0.649, support = 4.85, residual support = 22.1: HN PHE 28 - QB LEU 26 20.000% * 54.6082% (0.89 1.0 5.83 15.96) = 54.608% kept O HN LEU 26 - QB LEU 26 20.000% * 32.2173% (0.15 10.0 4.85 41.47) = 32.217% kept HN ASP- 87 - QB LEU 26 20.000% * 7.8169% (1.00 1.0 0.75 0.10) = 7.817% kept HN ARG+ 48 - QB LEU 26 20.000% * 5.3210% (0.61 1.0 0.83 0.77) = 5.321% kept HN MET 54 - QB LEU 26 20.000% * 0.0366% (0.17 1.0 0.02 0.02) = 0.037% Peak 1880 (8.75, 1.60, 42.76 ppm): 4 chemical-shift based assignments, quality = 0.637, support = 4.35, residual support = 25.5: HN GLY 27 - QB LEU 26 25.000% * 75.6033% (0.65 5.35 33.11) = 75.603% kept HN MET 10 - QB LEU 26 25.000% * 20.3188% (0.65 1.44 2.07) = 20.319% kept HN PHE 13 - QB LEU 26 25.000% * 3.6864% (0.49 0.35 0.02) = 3.686% kept HN THR 64 - QB LEU 26 25.000% * 0.3916% (0.89 0.02 0.02) = 0.392% Peak 1881 (8.04, 1.71, 27.30 ppm): 5 chemical-shift based assignments, quality = 0.777, support = 3.81, residual support = 15.4: HN PHE 28 - HG LEU 26 20.000% * 65.7612% (0.89 4.62 15.96) = 65.761% kept HN ARG+ 48 - HG LEU 26 20.000% * 12.9214% (0.61 1.32 0.77) = 12.921% kept HN LEU 26 - HG LEU 26 20.000% * 11.5868% (0.15 4.73 41.47) = 11.587% kept HN ASP- 87 - HG LEU 26 20.000% * 9.6750% (0.99 0.61 0.10) = 9.675% kept HN MET 54 - HG LEU 26 20.000% * 0.0556% (0.17 0.02 0.02) = 0.056% Peak 1882 (6.49, 0.92, 25.04 ppm): 1 chemical-shift based assignment, quality = 0.866, support = 1.87, residual support = 11.3: HD22 ASN 29 - QD1 LEU 26 100.000% *100.0000% (0.87 1.87 11.26) = 100.000% kept Peak 1883 (7.35, 0.92, 25.04 ppm): 3 chemical-shift based assignments, quality = 0.703, support = 2.31, residual support = 8.4: HD21 ASN 29 - QD1 LEU 26 33.333% * 72.7193% (0.83 2.70 11.26) = 72.719% kept HN ASN 69 - QD1 LEU 26 33.333% * 14.7204% (0.45 1.02 0.35) = 14.720% kept HE21 GLN 83 - QD1 LEU 26 33.333% * 12.5603% (0.25 1.56 1.31) = 12.560% kept Peak 1884 (7.53, 0.92, 25.04 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1885 (8.04, 0.92, 25.04 ppm): 5 chemical-shift based assignments, quality = 0.782, support = 4.53, residual support = 15.6: HN PHE 28 - QD1 LEU 26 20.000% * 67.2292% (0.89 5.45 15.96) = 67.229% kept HN ARG+ 48 - QD1 LEU 26 20.000% * 12.5180% (0.61 1.48 0.77) = 12.518% kept HN LEU 26 - QD1 LEU 26 20.000% * 11.5606% (0.15 5.45 41.47) = 11.561% kept HN ASP- 87 - QD1 LEU 26 20.000% * 8.6440% (1.00 0.63 0.10) = 8.644% kept HN MET 54 - QD1 LEU 26 20.000% * 0.0482% (0.17 0.02 0.02) = 0.048% Peak 1886 (8.75, 0.92, 25.04 ppm): 4 chemical-shift based assignments, quality = 0.653, support = 4.48, residual support = 24.0: HN GLY 27 - QD1 LEU 26 25.000% * 71.2000% (0.65 5.80 33.11) = 71.200% kept HN MET 10 - QD1 LEU 26 25.000% * 19.7965% (0.65 1.61 2.07) = 19.796% kept HN THR 64 - QD1 LEU 26 25.000% * 5.4402% (0.89 0.32 0.02) = 5.440% kept HN PHE 13 - QD1 LEU 26 25.000% * 3.5633% (0.49 0.39 0.02) = 3.563% kept Peak 1887 (8.06, 3.85, 46.35 ppm): 5 chemical-shift based assignments, quality = 0.776, support = 0.155, residual support = 0.079: HN ARG+ 48 - HA2 GLY 27 20.000% * 64.3356% (0.94 0.18 0.11) = 64.336% kept HN ASP- 87 - HA2 GLY 27 20.000% * 20.6698% (0.31 0.18 0.02) = 20.670% kept HN MET 54 - HA2 GLY 27 20.000% * 7.3102% (0.96 0.02 0.02) = 7.310% kept HN ASP- 89 - HA2 GLY 27 20.000% * 4.2885% (0.56 0.02 0.02) = 4.288% kept HN LEU 22 - HA2 GLY 27 20.000% * 3.3960% (0.44 0.02 0.02) = 3.396% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1888 (8.74, 3.85, 46.35 ppm): 6 chemical-shift based assignments, quality = 0.975, support = 3.6, residual support = 9.53: O HN GLY 27 - HA2 GLY 27 16.667% * 94.4474% (0.98 10.0 3.78 10.09) = 94.447% kept HN PHE 13 - HA2 GLY 27 16.667% * 2.3148% (0.91 1.0 0.53 0.02) = 2.315% kept HN MET 10 - HA2 GLY 27 16.667% * 2.1579% (0.98 1.0 0.46 0.02) = 2.158% kept HN THR 64 - HA2 GLY 27 16.667% * 1.0123% (0.44 1.0 0.47 0.02) = 1.012% kept HN LEU 82 - HA2 GLY 27 16.667% * 0.0464% (0.48 1.0 0.02 0.53) = 0.046% HN LYS+ 56 - HA2 GLY 27 16.667% * 0.0212% (0.22 1.0 0.02 0.89) = 0.021% Peak 1889 (8.05, 3.93, 46.35 ppm): 5 chemical-shift based assignments, quality = 0.479, support = 2.72, residual support = 16.3: O HN PHE 28 - HA1 GLY 27 20.000% * 89.4020% (0.44 10.0 2.96 18.26) = 89.402% kept HN ARG+ 48 - HA1 GLY 27 20.000% * 6.1963% (0.80 1.0 0.77 0.11) = 6.196% kept HN ASP- 87 - HA1 GLY 27 20.000% * 4.2540% (0.76 1.0 0.56 0.02) = 4.254% kept HN MET 54 - HA1 GLY 27 20.000% * 0.1129% (0.56 1.0 0.02 0.02) = 0.113% HN ASP- 89 - HA1 GLY 27 20.000% * 0.0349% (0.17 1.0 0.02 0.02) = 0.035% Peak 1890 (8.74, 3.93, 46.35 ppm): 6 chemical-shift based assignments, quality = 0.978, support = 3.33, residual support = 9.61: O HN GLY 27 - HA1 GLY 27 16.667% * 95.2510% (0.98 10.0 3.47 10.09) = 95.251% kept HN PHE 13 - HA1 GLY 27 16.667% * 2.3345% (0.91 1.0 0.53 0.02) = 2.335% kept HN MET 10 - HA1 GLY 27 16.667% * 2.1763% (0.98 1.0 0.46 0.02) = 2.176% kept HN THR 64 - HA1 GLY 27 16.667% * 0.1700% (0.44 1.0 0.08 0.02) = 0.170% HN LEU 82 - HA1 GLY 27 16.667% * 0.0468% (0.48 1.0 0.02 0.53) = 0.047% HN LYS+ 56 - HA1 GLY 27 16.667% * 0.0214% (0.22 1.0 0.02 0.89) = 0.021% Peak 1892 (6.37, 4.31, 58.62 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1893 (6.72, 4.31, 58.62 ppm): 2 chemical-shift based assignments, quality = 0.618, support = 0.191, residual support = 0.0794: HD22 ASN 75 - HA PHE 28 50.000% * 60.0133% (0.71 0.19 0.12) = 60.013% kept HN ASN 74 - HA PHE 28 50.000% * 39.9867% (0.48 0.19 0.02) = 39.987% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1894 (7.11, 4.31, 58.62 ppm): 1 chemical-shift based assignment, quality = 0.819, support = 3.0, residual support = 14.9: HD22 ASN 69 - HA PHE 28 100.000% *100.0000% (0.82 3.00 14.93) = 100.000% kept Peak 1895 (8.04, 4.31, 58.62 ppm): 5 chemical-shift based assignments, quality = 0.877, support = 3.82, residual support = 22.0: O HN PHE 28 - HA PHE 28 20.000% * 99.7839% (0.88 10.0 3.83 22.10) = 99.784% kept HN ASP- 87 - HA PHE 28 20.000% * 0.1110% (0.98 1.0 0.02 0.02) = 0.111% HN ARG+ 48 - HA PHE 28 20.000% * 0.0684% (0.60 1.0 0.02 0.02) = 0.068% HN MET 54 - HA PHE 28 20.000% * 0.0195% (0.17 1.0 0.02 0.02) = 0.019% HN LEU 26 - HA PHE 28 20.000% * 0.0172% (0.15 1.0 0.02 15.96) = 0.017% Peak 1898 (8.04, 2.77, 41.29 ppm): 15 chemical-shift based assignments, quality = 0.892, support = 3.08, residual support = 22.0: O HN PHE 28 - HB3 PHE 28 6.667% * 99.6980% (0.89 10.0 3.08 22.10) = 99.698% kept HN ASP- 87 - HB3 PHE 28 6.667% * 0.1109% (1.00 1.0 0.02 0.02) = 0.111% HN ARG+ 48 - HB3 PHE 28 6.667% * 0.0683% (0.61 1.0 0.02 0.02) = 0.068% HN ASP- 87 - HB2 ASP- 73 6.667% * 0.0258% (0.23 1.0 0.02 0.02) = 0.026% HN PHE 28 - HB2 ASP- 73 6.667% * 0.0232% (0.21 1.0 0.02 0.02) = 0.023% HN MET 54 - HB3 PHE 28 6.667% * 0.0195% (0.17 1.0 0.02 0.02) = 0.019% HN LEU 26 - HB3 PHE 28 6.667% * 0.0172% (0.15 1.0 0.02 15.96) = 0.017% HN ARG+ 48 - HB2 ASP- 73 6.667% * 0.0159% (0.14 1.0 0.02 0.02) = 0.016% HN MET 54 - HB2 ASP- 73 6.667% * 0.0045% (0.04 1.0 0.02 0.02) = 0.005% HN ASP- 87 - HB2 TYR 81 6.667% * 0.0045% (0.04 1.0 0.02 0.02) = 0.004% HN PHE 28 - HB2 TYR 81 6.667% * 0.0040% (0.04 1.0 0.02 0.20) = 0.004% HN LEU 26 - HB2 ASP- 73 6.667% * 0.0040% (0.04 1.0 0.02 0.02) = 0.004% HN ARG+ 48 - HB2 TYR 81 6.667% * 0.0028% (0.02 1.0 0.02 0.39) = 0.003% HN MET 54 - HB2 TYR 81 6.667% * 0.0008% (0.01 1.0 0.02 0.02) = 0.001% HN LEU 26 - HB2 TYR 81 6.667% * 0.0007% (0.01 1.0 0.02 0.02) = 0.001% Peak 1899 (8.04, 2.83, 41.29 ppm): 10 chemical-shift based assignments, quality = 0.882, support = 3.06, residual support = 21.9: O HN PHE 28 - HB2 PHE 28 10.000% * 99.1930% (0.89 10.0 3.08 22.10) = 99.193% kept HN ARG+ 48 - HB2 PHE 28 10.000% * 0.6367% (0.61 1.0 0.19 0.02) = 0.637% HN ASP- 87 - HB2 PHE 28 10.000% * 0.1104% (0.99 1.0 0.02 0.02) = 0.110% HN MET 54 - HB2 PHE 28 10.000% * 0.0194% (0.17 1.0 0.02 0.02) = 0.019% HN LEU 26 - HB2 PHE 28 10.000% * 0.0171% (0.15 1.0 0.02 15.96) = 0.017% HN ASP- 87 - HB2 TYR 81 10.000% * 0.0083% (0.07 1.0 0.02 0.02) = 0.008% HN PHE 28 - HB2 TYR 81 10.000% * 0.0074% (0.07 1.0 0.02 0.20) = 0.007% HN ARG+ 48 - HB2 TYR 81 10.000% * 0.0051% (0.05 1.0 0.02 0.39) = 0.005% HN MET 54 - HB2 TYR 81 10.000% * 0.0015% (0.01 1.0 0.02 0.02) = 0.001% HN LEU 26 - HB2 TYR 81 10.000% * 0.0013% (0.01 1.0 0.02 0.02) = 0.001% Peak 1900 (7.11, 2.83, 41.29 ppm): 2 chemical-shift based assignments, quality = 0.827, support = 2.48, residual support = 14.9: HD22 ASN 69 - HB2 PHE 28 50.000% * 99.9396% (0.83 2.48 14.93) = 99.940% kept HD22 ASN 69 - HB2 TYR 81 50.000% * 0.0604% (0.06 0.02 0.72) = 0.060% Peak 1901 (7.11, 2.77, 41.29 ppm): 3 chemical-shift based assignments, quality = 0.832, support = 3.14, residual support = 14.9: HD22 ASN 69 - HB3 PHE 28 33.333% * 99.8267% (0.83 3.14 14.93) = 99.827% kept HD22 ASN 69 - HB2 ASP- 73 33.333% * 0.1476% (0.19 0.02 0.02) = 0.148% HD22 ASN 69 - HB2 TYR 81 33.333% * 0.0257% (0.03 0.02 0.72) = 0.026% Peak 1902 (6.99, 2.77, 41.29 ppm): 6 chemical-shift based assignments, quality = 0.39, support = 0.342, residual support = 0.22: HN PHE 70 - HB3 PHE 28 16.667% * 77.4425% (0.37 0.41 0.27) = 77.443% kept HN PHE 70 - HB2 ASP- 73 16.667% * 10.4892% (0.09 0.24 0.02) = 10.489% kept HE ARG+ 90 - HB3 PHE 28 16.667% * 9.3597% (0.92 0.02 0.02) = 9.360% kept HE ARG+ 90 - HB2 ASP- 73 16.667% * 2.1756% (0.21 0.02 0.24) = 2.176% kept HE ARG+ 90 - HB2 TYR 81 16.667% * 0.3789% (0.04 0.02 0.02) = 0.379% HN PHE 70 - HB2 TYR 81 16.667% * 0.1541% (0.02 0.02 0.10) = 0.154% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1903 (1.79, 2.77, 41.29 ppm): 24 chemical-shift based assignments, quality = 0.607, support = 0.816, residual support = 1.35: HG LEU 82 - HB3 PHE 28 4.167% * 43.8899% (0.89 0.53 0.13) = 43.890% kept HG LEU 42 - HB3 PHE 28 4.167% * 29.1202% (0.52 0.60 1.89) = 29.120% kept HG LEU 82 - HB2 TYR 81 4.167% * 11.3609% (0.04 3.40 6.52) = 11.361% kept HG LEU 42 - HB2 ASP- 73 4.167% * 4.4877% (0.12 0.40 0.11) = 4.488% kept HB ILE 95 - HB3 PHE 28 4.167% * 2.0159% (0.25 0.09 0.02) = 2.016% kept HB3 LYS+ 17 - HB3 PHE 28 4.167% * 1.6493% (0.89 0.02 0.02) = 1.649% kept HD2 LYS+ 55 - HB3 PHE 28 4.167% * 1.5953% (0.87 0.02 0.02) = 1.595% kept HG3 ARG+ 53 - HB3 PHE 28 4.167% * 1.3354% (0.72 0.02 0.02) = 1.335% kept HB3 LYS+ 20 - HB3 PHE 28 4.167% * 1.2633% (0.69 0.02 0.02) = 1.263% kept HG2 ARG+ 53 - HB3 PHE 28 4.167% * 0.8952% (0.49 0.02 0.02) = 0.895% HG LEU 82 - HB2 ASP- 73 4.167% * 0.3834% (0.21 0.02 0.02) = 0.383% HB3 LYS+ 17 - HB2 ASP- 73 4.167% * 0.3834% (0.21 0.02 0.52) = 0.383% HD2 LYS+ 55 - HB2 ASP- 73 4.167% * 0.3708% (0.20 0.02 0.02) = 0.371% HG3 ARG+ 53 - HB2 ASP- 73 4.167% * 0.3104% (0.17 0.02 0.02) = 0.310% HB3 LYS+ 20 - HB2 ASP- 73 4.167% * 0.2936% (0.16 0.02 0.02) = 0.294% HG2 ARG+ 53 - HB2 ASP- 73 4.167% * 0.2081% (0.11 0.02 0.02) = 0.208% HB ILE 95 - HB2 ASP- 73 4.167% * 0.1066% (0.06 0.02 0.18) = 0.107% HB3 LYS+ 17 - HB2 TYR 81 4.167% * 0.0668% (0.04 0.02 0.02) = 0.067% HD2 LYS+ 55 - HB2 TYR 81 4.167% * 0.0646% (0.04 0.02 0.49) = 0.065% HG3 ARG+ 53 - HB2 TYR 81 4.167% * 0.0541% (0.03 0.02 0.02) = 0.054% HB3 LYS+ 20 - HB2 TYR 81 4.167% * 0.0511% (0.03 0.02 0.46) = 0.051% HG LEU 42 - HB2 TYR 81 4.167% * 0.0392% (0.02 0.02 0.34) = 0.039% HG2 ARG+ 53 - HB2 TYR 81 4.167% * 0.0362% (0.02 0.02 0.02) = 0.036% HB ILE 95 - HB2 TYR 81 4.167% * 0.0186% (0.01 0.02 0.02) = 0.019% Peak 1904 (0.61, 2.77, 41.29 ppm): 9 chemical-shift based assignments, quality = 0.724, support = 1.5, residual support = 4.44: QG2 ILE 24 - HB3 PHE 28 11.111% * 40.0615% (0.92 1.00 1.70 9.33) = 40.061% kept QD1 LEU 42 - HB3 PHE 28 11.111% * 36.2455% (0.72 1.00 1.95 1.89) = 36.245% kept QD1 ILE 96 - HB3 PHE 28 11.111% * 10.4533% (0.65 1.00 0.63 0.15) = 10.453% kept T QG2 ILE 24 - HB2 ASP- 73 11.111% * 7.3257% (0.21 10.00 0.13 0.02) = 7.326% kept QD1 LEU 42 - HB2 ASP- 73 11.111% * 2.9548% (0.17 1.00 0.68 0.11) = 2.955% kept QD1 ILE 96 - HB2 ASP- 73 11.111% * 2.7395% (0.15 1.00 0.71 0.02) = 2.739% kept T QG2 ILE 24 - HB2 TYR 81 11.111% * 0.1912% (0.04 10.00 0.02 0.02) = 0.191% QD1 LEU 42 - HB2 TYR 81 11.111% * 0.0150% (0.03 1.00 0.02 0.34) = 0.015% QD1 ILE 96 - HB2 TYR 81 11.111% * 0.0134% (0.03 1.00 0.02 0.02) = 0.013% Peak 1905 (0.60, 2.83, 41.29 ppm): 8 chemical-shift based assignments, quality = 0.299, support = 1.86, residual support = 9.07: T QG2 ILE 24 - HB2 PHE 28 12.500% * 96.7582% (0.31 10.00 1.90 9.33) = 96.758% kept QD1 LEU 42 - HB2 PHE 28 12.500% * 2.1205% (0.15 1.00 0.83 1.89) = 2.120% kept QD2 LEU 22 - HB2 PHE 28 12.500% * 0.9528% (0.37 1.00 0.15 0.02) = 0.953% T QG2 ILE 24 - HB2 TYR 81 12.500% * 0.0764% (0.02 10.00 0.02 0.02) = 0.076% QD2 LEU 63 - HB2 PHE 28 12.500% * 0.0734% (0.22 1.00 0.02 0.02) = 0.073% QD2 LEU 22 - HB2 TYR 81 12.500% * 0.0093% (0.03 1.00 0.02 0.02) = 0.009% QD2 LEU 63 - HB2 TYR 81 12.500% * 0.0055% (0.02 1.00 0.02 0.02) = 0.006% QD1 LEU 42 - HB2 TYR 81 12.500% * 0.0038% (0.01 1.00 0.02 0.34) = 0.004% Peak 1906 (1.73, 2.83, 41.29 ppm): 18 chemical-shift based assignments, quality = 0.682, support = 0.796, residual support = 4.41: HB2 GLU- 23 - HB2 PHE 28 5.556% * 50.3985% (0.86 1.05 1.53) = 50.398% kept HG LEU 26 - HB2 PHE 28 5.556% * 20.5965% (0.41 0.90 15.96) = 20.596% kept QB GLU- 30 - HB2 PHE 28 5.556% * 11.8746% (0.60 0.35 0.02) = 11.875% kept HB3 PRO 25 - HB2 PHE 28 5.556% * 8.3174% (0.41 0.37 4.12) = 8.317% kept HG12 ILE 38 - HB2 PHE 28 5.556% * 6.5132% (0.91 0.13 0.02) = 6.513% kept HB2 ARG+ 48 - HB2 PHE 28 5.556% * 0.9254% (0.83 0.02 0.02) = 0.925% HB ILE 14 - HB2 PHE 28 5.556% * 0.4158% (0.37 0.02 0.02) = 0.416% QD LYS+ 60 - HB2 PHE 28 5.556% * 0.3779% (0.34 0.02 0.02) = 0.378% HD3 LYS+ 55 - HB2 PHE 28 5.556% * 0.1709% (0.15 0.02 0.02) = 0.171% HG12 ILE 38 - HB2 TYR 81 5.556% * 0.0768% (0.07 0.02 0.02) = 0.077% HB2 GLU- 23 - HB2 TYR 81 5.556% * 0.0722% (0.06 0.02 0.02) = 0.072% HB2 ARG+ 48 - HB2 TYR 81 5.556% * 0.0695% (0.06 0.02 0.39) = 0.069% QB GLU- 30 - HB2 TYR 81 5.556% * 0.0505% (0.05 0.02 0.02) = 0.050% HB3 PRO 25 - HB2 TYR 81 5.556% * 0.0342% (0.03 0.02 0.02) = 0.034% HG LEU 26 - HB2 TYR 81 5.556% * 0.0342% (0.03 0.02 0.02) = 0.034% HB ILE 14 - HB2 TYR 81 5.556% * 0.0312% (0.03 0.02 0.42) = 0.031% QD LYS+ 60 - HB2 TYR 81 5.556% * 0.0284% (0.03 0.02 0.93) = 0.028% HD3 LYS+ 55 - HB2 TYR 81 5.556% * 0.0128% (0.01 0.02 0.49) = 0.013% Peak 1908 (7.56, 4.40, 55.84 ppm): 2 chemical-shift based assignments, quality = 0.971, support = 2.19, residual support = 11.2: O HN ASN 29 - HA ASN 29 50.000% * 99.9070% (0.97 10.0 2.19 11.20) = 99.907% kept HN LYS+ 80 - HA ASN 29 50.000% * 0.0930% (0.90 1.0 0.02 0.10) = 0.093% Peak 1909 (7.33, 2.93, 37.48 ppm): 2 chemical-shift based assignments, quality = 0.945, support = 1.95, residual support = 11.2: O HD21 ASN 29 - QB ASN 29 50.000% * 99.9230% (0.95 10.0 1.95 11.20) = 99.923% kept HE21 GLN 83 - QB ASN 29 50.000% * 0.0770% (0.71 1.0 0.02 0.02) = 0.077% Peak 1910 (7.54, 2.93, 37.48 ppm): 2 chemical-shift based assignments, quality = 0.439, support = 2.03, residual support = 11.2: O HN ASN 29 - QB ASN 29 50.000% * 99.9130% (0.44 10.0 2.03 11.20) = 99.913% kept HN LYS+ 80 - QB ASN 29 50.000% * 0.0870% (0.38 1.0 0.02 0.10) = 0.087% Peak 1912 (7.47, 4.12, 57.92 ppm): 14 chemical-shift based assignments, quality = 0.789, support = 1.96, residual support = 8.27: O HN TYR 31 - HA GLU- 30 7.143% * 56.3335% (0.86 10.0 2.17 7.19) = 56.333% kept O HN GLU- 30 - HA GLU- 30 7.143% * 41.1714% (0.72 10.0 1.75 10.21) = 41.171% kept HN LYS+ 60 - HA GLU- 30 7.143% * 1.7973% (0.44 1.0 1.23 0.65) = 1.797% kept HN LYS+ 60 - HA LEU 26 7.143% * 0.4383% (0.16 1.0 0.85 1.92) = 0.438% HN LEU 76 - HA GLU- 30 7.143% * 0.0648% (0.99 1.0 0.02 0.02) = 0.065% HN THR 39 - HA GLU- 30 7.143% * 0.0420% (0.64 1.0 0.02 0.02) = 0.042% HE21 GLN 8 - HA GLU- 30 7.143% * 0.0394% (0.60 1.0 0.02 0.02) = 0.039% HN LEU 76 - HA LEU 26 7.143% * 0.0230% (0.35 1.0 0.02 0.02) = 0.023% HN TYR 31 - HA LEU 26 7.143% * 0.0200% (0.31 1.0 0.02 0.02) = 0.020% HN VAL 71 - HA GLU- 30 7.143% * 0.0181% (0.28 1.0 0.02 0.02) = 0.018% HN GLU- 30 - HA LEU 26 7.143% * 0.0168% (0.26 1.0 0.02 0.16) = 0.017% HN THR 39 - HA LEU 26 7.143% * 0.0149% (0.23 1.0 0.02 0.02) = 0.015% HE21 GLN 8 - HA LEU 26 7.143% * 0.0140% (0.21 1.0 0.02 0.52) = 0.014% HN VAL 71 - HA LEU 26 7.143% * 0.0064% (0.10 1.0 0.02 0.02) = 0.006% Peak 1913 (1.40, 1.71, 29.47 ppm): 10 chemical-shift based assignments, quality = 0.483, support = 1.02, residual support = 1.08: T HG2 LYS+ 17 - QB GLU- 30 10.000% * 49.7490% (0.25 10.00 1.06 0.98) = 49.749% kept QB ALA 2 - QB GLU- 30 10.000% * 21.7198% (0.99 1.00 1.16 0.76) = 21.720% kept HB3 LYS+ 60 - QB GLU- 30 10.000% * 16.5324% (0.79 1.00 1.10 0.65) = 16.532% kept T HG2 LYS+ 17 - HD3 LYS+ 55 10.000% * 8.5737% (0.07 10.00 0.62 3.66) = 8.574% kept HG2 ARG+ 88 - QB GLU- 30 10.000% * 2.4381% (0.34 1.00 0.38 0.02) = 2.438% kept T HG13 ILE 38 - QB GLU- 30 10.000% * 0.5807% (0.15 10.00 0.02 0.02) = 0.581% T HG13 ILE 38 - HD3 LYS+ 55 10.000% * 0.1703% (0.04 10.00 0.02 0.88) = 0.170% QB ALA 2 - HD3 LYS+ 55 10.000% * 0.1101% (0.29 1.00 0.02 0.02) = 0.110% HB3 LYS+ 60 - HD3 LYS+ 55 10.000% * 0.0884% (0.23 1.00 0.02 0.02) = 0.088% HG2 ARG+ 88 - HD3 LYS+ 55 10.000% * 0.0376% (0.10 1.00 0.02 0.02) = 0.038% Peak 1914 (1.40, 4.12, 57.92 ppm): 10 chemical-shift based assignments, quality = 0.722, support = 0.678, residual support = 0.769: QB ALA 2 - HA GLU- 30 10.000% * 48.7094% (0.99 0.76 0.76) = 48.709% kept HB3 LYS+ 60 - HA GLU- 30 10.000% * 21.0184% (0.79 0.41 0.65) = 21.018% kept HG2 LYS+ 17 - HA GLU- 30 10.000% * 16.8932% (0.25 1.06 0.98) = 16.893% kept HG2 ARG+ 88 - HA GLU- 30 10.000% * 7.7757% (0.34 0.36 0.02) = 7.776% kept HG13 ILE 38 - HA GLU- 30 10.000% * 2.8772% (0.15 0.29 0.02) = 2.877% kept HG2 LYS+ 17 - HA LEU 26 10.000% * 1.6831% (0.09 0.30 5.53) = 1.683% kept QB ALA 2 - HA LEU 26 10.000% * 0.4537% (0.35 0.02 0.02) = 0.454% HB3 LYS+ 60 - HA LEU 26 10.000% * 0.3641% (0.28 0.02 1.92) = 0.364% HG2 ARG+ 88 - HA LEU 26 10.000% * 0.1551% (0.12 0.02 0.12) = 0.155% HG13 ILE 38 - HA LEU 26 10.000% * 0.0702% (0.05 0.02 0.02) = 0.070% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1916 (4.47, 1.71, 29.47 ppm): 20 chemical-shift based assignments, quality = 0.738, support = 1.36, residual support = 4.13: HA TYR 31 - QB GLU- 30 5.000% * 50.6493% (0.89 2.05 7.19) = 50.649% kept HA VAL 61 - QB GLU- 30 5.000% * 16.1695% (0.99 0.59 0.02) = 16.169% kept HA LYS+ 60 - QB GLU- 30 5.000% * 9.8557% (0.44 0.80 0.65) = 9.856% kept HB THR 64 - QB GLU- 30 5.000% * 9.3004% (0.31 1.09 1.76) = 9.300% kept HA ASN 69 - QB GLU- 30 5.000% * 5.5072% (0.72 0.28 0.02) = 5.507% kept HA VAL 61 - HD3 LYS+ 55 5.000% * 3.6845% (0.29 0.46 2.19) = 3.684% kept HA ASN 69 - HD3 LYS+ 55 5.000% * 1.7625% (0.21 0.30 0.02) = 1.762% kept HB THR 64 - HD3 LYS+ 55 5.000% * 1.3468% (0.09 0.54 12.69) = 1.347% kept HA ASN 100 - QB GLU- 30 5.000% * 0.4000% (0.72 0.02 0.02) = 0.400% HA ASN 74 - QB GLU- 30 5.000% * 0.3784% (0.68 0.02 0.27) = 0.378% HA GLU- 6 - QB GLU- 30 5.000% * 0.1531% (0.28 0.02 0.02) = 0.153% HA TYR 31 - HD3 LYS+ 55 5.000% * 0.1448% (0.26 0.02 0.02) = 0.145% HA VAL 7 - QB GLU- 30 5.000% * 0.1373% (0.25 0.02 0.02) = 0.137% HA ASN 100 - HD3 LYS+ 55 5.000% * 0.1173% (0.21 0.02 0.02) = 0.117% HA ASN 74 - HD3 LYS+ 55 5.000% * 0.1109% (0.20 0.02 0.02) = 0.111% HA MET 1 - QB GLU- 30 5.000% * 0.0965% (0.17 0.02 0.02) = 0.096% HA LYS+ 60 - HD3 LYS+ 55 5.000% * 0.0724% (0.13 0.02 0.02) = 0.072% HA GLU- 6 - HD3 LYS+ 55 5.000% * 0.0449% (0.08 0.02 0.21) = 0.045% HA VAL 7 - HD3 LYS+ 55 5.000% * 0.0403% (0.07 0.02 0.02) = 0.040% HA MET 1 - HD3 LYS+ 55 5.000% * 0.0283% (0.05 0.02 0.02) = 0.028% Peak 1917 (4.78, 1.71, 29.47 ppm): 8 chemical-shift based assignments, quality = 0.479, support = 2.94, residual support = 43.2: T HA LYS+ 55 - HD3 LYS+ 55 12.500% * 45.2179% (0.07 10.00 4.92 91.44) = 45.218% kept HA THR 64 - QB GLU- 30 12.500% * 43.4373% (0.97 1.00 1.43 1.76) = 43.437% kept HA THR 64 - HD3 LYS+ 55 12.500% * 8.3277% (0.28 1.00 0.94 12.69) = 8.328% kept HA ILE 85 - HD3 LYS+ 55 12.500% * 1.5293% (0.06 1.00 0.85 0.52) = 1.529% kept HA TYR 81 - HD3 LYS+ 55 12.500% * 0.6773% (0.04 1.00 0.48 0.49) = 0.677% HA TYR 81 - QB GLU- 30 12.500% * 0.5338% (0.15 1.00 0.11 0.02) = 0.534% HA LYS+ 55 - QB GLU- 30 12.500% * 0.1542% (0.25 1.00 0.02 0.12) = 0.154% HA ILE 85 - QB GLU- 30 12.500% * 0.1224% (0.20 1.00 0.02 0.02) = 0.122% Peak 1919 (7.46, 1.71, 29.47 ppm): 14 chemical-shift based assignments, quality = 0.915, support = 1.43, residual support = 9.63: O HN GLU- 30 - QB GLU- 30 7.143% * 88.8632% (0.99 10.0 1.35 10.21) = 88.863% kept HN TYR 31 - QB GLU- 30 7.143% * 7.5945% (0.41 1.0 2.81 7.19) = 7.594% kept HN LEU 76 - HD3 LYS+ 55 7.143% * 1.5352% (0.22 1.0 1.04 0.42) = 1.535% kept HE21 GLN 8 - HD3 LYS+ 55 7.143% * 0.9360% (0.28 1.0 0.50 0.02) = 0.936% HN THR 39 - QB GLU- 30 7.143% * 0.3647% (0.22 1.0 0.25 0.02) = 0.365% HN GLU- 30 - HD3 LYS+ 55 7.143% * 0.2266% (0.29 1.0 0.12 0.12) = 0.227% HE21 GLN 8 - QB GLU- 30 7.143% * 0.1288% (0.97 1.0 0.02 0.02) = 0.129% HN LEU 76 - QB GLU- 30 7.143% * 0.1004% (0.76 1.0 0.02 0.02) = 0.100% HN VAL 71 - QB GLU- 30 7.143% * 0.0954% (0.72 1.0 0.02 0.02) = 0.095% HD21 ASN 75 - QB GLU- 30 7.143% * 0.0540% (0.41 1.0 0.02 0.13) = 0.054% HN THR 39 - HD3 LYS+ 55 7.143% * 0.0417% (0.06 1.0 0.10 0.54) = 0.042% HN VAL 71 - HD3 LYS+ 55 7.143% * 0.0280% (0.21 1.0 0.02 2.80) = 0.028% HD21 ASN 75 - HD3 LYS+ 55 7.143% * 0.0158% (0.12 1.0 0.02 0.02) = 0.016% HN TYR 31 - HD3 LYS+ 55 7.143% * 0.0158% (0.12 1.0 0.02 0.02) = 0.016% Peak 1920 (7.49, 1.71, 29.47 ppm): 12 chemical-shift based assignments, quality = 0.594, support = 1.78, residual support = 7.11: O HN GLU- 30 - QB GLU- 30 8.333% * 42.7249% (0.22 10.0 1.35 10.21) = 42.725% kept HN TYR 31 - QB GLU- 30 8.333% * 36.8263% (0.91 1.0 2.81 7.19) = 36.826% kept HN LYS+ 60 - QB GLU- 30 8.333% * 13.0775% (0.94 1.0 0.97 0.65) = 13.077% kept HN THR 39 - QB GLU- 30 8.333% * 3.5372% (0.99 1.0 0.25 0.02) = 3.537% kept HN LEU 76 - HD3 LYS+ 55 8.333% * 2.6312% (0.18 1.0 1.04 0.42) = 2.631% kept HN THR 39 - HD3 LYS+ 55 8.333% * 0.4044% (0.29 1.0 0.10 0.54) = 0.404% HE21 GLN 8 - HD3 LYS+ 55 8.333% * 0.3182% (0.04 1.0 0.50 0.02) = 0.318% HN LEU 76 - QB GLU- 30 8.333% * 0.1721% (0.60 1.0 0.02 0.02) = 0.172% HN GLU- 30 - HD3 LYS+ 55 8.333% * 0.1090% (0.06 1.0 0.12 0.12) = 0.109% HN LYS+ 60 - HD3 LYS+ 55 8.333% * 0.0787% (0.27 1.0 0.02 0.02) = 0.079% HN TYR 31 - HD3 LYS+ 55 8.333% * 0.0768% (0.27 1.0 0.02 0.02) = 0.077% HE21 GLN 8 - QB GLU- 30 8.333% * 0.0438% (0.15 1.0 0.02 0.02) = 0.044% Peak 1921 (7.50, 4.12, 57.92 ppm): 6 chemical-shift based assignments, quality = 0.385, support = 2.02, residual support = 6.25: O HN TYR 31 - HA GLU- 30 16.667% * 85.1331% (0.34 10.0 2.17 7.19) = 85.133% kept HN LYS+ 60 - HA GLU- 30 16.667% * 11.7740% (0.76 1.0 1.23 0.65) = 11.774% kept HN LYS+ 60 - HA LEU 26 16.667% * 2.8711% (0.27 1.0 0.85 1.92) = 2.871% kept HN THR 39 - HA GLU- 30 16.667% * 0.1413% (0.56 1.0 0.02 0.02) = 0.141% HN THR 39 - HA LEU 26 16.667% * 0.0502% (0.20 1.0 0.02 0.02) = 0.050% HN TYR 31 - HA LEU 26 16.667% * 0.0303% (0.12 1.0 0.02 0.02) = 0.030% Peak 1922 (0.50, 2.83, 38.51 ppm): 1 chemical-shift based assignment, quality = 0.819, support = 0.75, residual support = 1.5: QG2 VAL 7 - HB2 TYR 31 100.000% *100.0000% (0.82 0.75 1.50) = 100.000% kept Peak 1923 (0.29, 2.83, 38.51 ppm): 1 chemical-shift based assignment, quality = 0.368, support = 0.75, residual support = 1.5: QG1 VAL 7 - HB2 TYR 31 100.000% *100.0000% (0.37 0.75 1.50) = 100.000% kept Peak 1924 (6.36, 1.94, 38.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1925 (7.49, 1.94, 38.51 ppm): 5 chemical-shift based assignments, quality = 0.805, support = 3.17, residual support = 22.0: O HN TYR 31 - HB3 TYR 31 20.000% * 96.3056% (0.82 10.0 3.24 22.73) = 96.306% kept HN GLU- 30 - HB3 TYR 31 20.000% * 2.1116% (0.15 1.0 2.37 7.19) = 2.112% kept HN LYS+ 60 - HB3 TYR 31 20.000% * 1.4137% (0.97 1.0 0.25 0.02) = 1.414% kept HN THR 39 - HB3 TYR 31 20.000% * 0.1130% (0.96 1.0 0.02 0.02) = 0.113% HN LEU 76 - HB3 TYR 31 20.000% * 0.0561% (0.48 1.0 0.02 0.02) = 0.056% Peak 1926 (6.37, 2.83, 38.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1927 (7.49, 2.83, 38.51 ppm): 5 chemical-shift based assignments, quality = 0.807, support = 2.78, residual support = 22.1: O HN TYR 31 - HB2 TYR 31 20.000% * 96.4818% (0.82 10.0 2.83 22.73) = 96.482% kept HN GLU- 30 - HB2 TYR 31 20.000% * 1.9325% (0.15 1.0 2.17 7.19) = 1.932% kept HN LYS+ 60 - HB2 TYR 31 20.000% * 1.4163% (0.97 1.0 0.25 0.02) = 1.416% kept HN THR 39 - HB2 TYR 31 20.000% * 0.1132% (0.96 1.0 0.02 0.02) = 0.113% HN LEU 76 - HB2 TYR 31 20.000% * 0.0562% (0.48 1.0 0.02 0.02) = 0.056% Peak 1928 (2.10, 2.44, 34.42 ppm): 7 chemical-shift based assignments, quality = 0.992, support = 4.68, residual support = 88.2: O T HB3 PRO 37 - HB2 PRO 37 14.286% * 99.6347% (1.00 10.0 10.00 4.70 88.53) = 99.635% kept HB2 GLU- 16 - HB2 PRO 37 14.286% * 0.0996% (1.00 1.0 1.00 0.02 0.02) = 0.100% HG2 MET 54 - HB2 PRO 37 14.286% * 0.0896% (0.89 1.0 1.00 0.02 0.02) = 0.090% HB2 MET 1 - HB2 PRO 37 14.286% * 0.0686% (0.69 1.0 1.00 0.02 0.02) = 0.069% QB ARG+ 88 - HB2 PRO 37 14.286% * 0.0565% (0.56 1.0 1.00 0.02 0.02) = 0.057% HB2 LYS+ 11 - HB2 PRO 37 14.286% * 0.0375% (0.37 1.0 1.00 0.02 0.02) = 0.037% QB MET 10 - HB2 PRO 37 14.286% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.014% Peak 1929 (1.94, 2.44, 34.42 ppm): 8 chemical-shift based assignments, quality = 0.989, support = 4.84, residual support = 86.3: O T QG PRO 37 - HB2 PRO 37 12.500% * 97.4271% (1.00 10.0 10.00 4.96 88.53) = 97.427% kept HB2 LYS+ 60 - HB2 PRO 37 12.500% * 2.1286% (0.89 1.0 1.00 0.49 4.44) = 2.129% kept HB3 TYR 31 - HB2 PRO 37 12.500% * 0.0974% (1.00 1.0 1.00 0.02 0.02) = 0.097% QB GLU- 6 - HB2 PRO 37 12.500% * 0.0901% (0.92 1.0 1.00 0.02 0.02) = 0.090% HB3 GLU- 16 - HB2 PRO 37 12.500% * 0.0876% (0.89 1.0 1.00 0.02 0.02) = 0.088% HB3 ARG+ 53 - HB2 PRO 37 12.500% * 0.0816% (0.83 1.0 1.00 0.02 0.02) = 0.082% HB3 GLU- 77 - HB2 PRO 37 12.500% * 0.0438% (0.45 1.0 1.00 0.02 0.02) = 0.044% HB VAL 71 - HB2 PRO 37 12.500% * 0.0438% (0.45 1.0 1.00 0.02 0.02) = 0.044% Peak 1930 (1.34, 2.44, 34.42 ppm): 5 chemical-shift based assignments, quality = 0.889, support = 2.38, residual support = 8.74: T QB ALA 34 - HB2 PRO 37 20.000% * 71.0544% (0.87 10.00 2.36 10.81) = 71.054% kept HG LEU 63 - HB2 PRO 37 20.000% * 11.3619% (0.99 1.00 2.80 4.31) = 11.362% kept QG LYS+ 60 - HB2 PRO 37 20.000% * 9.5914% (0.92 1.00 2.54 4.44) = 9.591% kept HG12 ILE 14 - HB2 PRO 37 20.000% * 7.4564% (0.98 1.00 1.86 1.85) = 7.456% kept QG LYS+ 55 - HB2 PRO 37 20.000% * 0.5358% (0.31 1.00 0.42 0.02) = 0.536% Peak 1931 (3.54, 2.44, 34.42 ppm): 5 chemical-shift based assignments, quality = 0.723, support = 4.24, residual support = 88.3: O T HD3 PRO 37 - HB2 PRO 37 20.000% * 99.7821% (0.72 10.0 10.00 4.25 88.53) = 99.782% kept QB SER 49 - HB2 PRO 37 20.000% * 0.0889% (0.65 1.0 1.00 0.02 0.02) = 0.089% HB3 SER 15 - HB2 PRO 37 20.000% * 0.0516% (0.37 1.0 1.00 0.02 0.02) = 0.052% HA LEU 76 - HB2 PRO 37 20.000% * 0.0469% (0.34 1.0 1.00 0.02 0.02) = 0.047% HA GLU- 23 - HB2 PRO 37 20.000% * 0.0306% (0.22 1.0 1.00 0.02 0.43) = 0.031% Peak 1932 (4.69, 2.44, 34.42 ppm): 2 chemical-shift based assignments, quality = 0.978, support = 4.95, residual support = 88.5: O HA PRO 37 - HB2 PRO 37 50.000% * 99.9581% (0.98 10.0 4.95 88.53) = 99.958% kept HA ILE 96 - HB2 PRO 37 50.000% * 0.0419% (0.41 1.0 0.02 0.02) = 0.042% Peak 1933 (1.94, 2.10, 34.42 ppm): 8 chemical-shift based assignments, quality = 0.975, support = 4.58, residual support = 85.8: O T QG PRO 37 - HB3 PRO 37 12.500% * 96.8154% (0.99 10.0 10.00 4.72 88.53) = 96.815% kept HB2 LYS+ 60 - HB3 PRO 37 12.500% * 1.9600% (0.89 1.0 1.00 0.45 4.44) = 1.960% kept T HB3 GLU- 16 - HB3 PRO 37 12.500% * 0.8702% (0.89 1.0 10.00 0.02 0.02) = 0.870% HB3 TYR 31 - HB3 PRO 37 12.500% * 0.0968% (0.99 1.0 1.00 0.02 0.02) = 0.097% QB GLU- 6 - HB3 PRO 37 12.500% * 0.0896% (0.91 1.0 1.00 0.02 0.02) = 0.090% HB3 ARG+ 53 - HB3 PRO 37 12.500% * 0.0810% (0.83 1.0 1.00 0.02 0.02) = 0.081% HB3 GLU- 77 - HB3 PRO 37 12.500% * 0.0435% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB VAL 71 - HB3 PRO 37 12.500% * 0.0435% (0.44 1.0 1.00 0.02 0.02) = 0.044% Peak 1934 (1.33, 2.10, 34.42 ppm): 5 chemical-shift based assignments, quality = 0.606, support = 2.27, residual support = 8.31: T QB ALA 34 - HB3 PRO 37 20.000% * 65.8198% (0.52 10.00 2.19 10.81) = 65.820% kept HG LEU 63 - HB3 PRO 37 20.000% * 12.9647% (0.76 1.00 2.71 4.31) = 12.965% kept HG12 ILE 14 - HB3 PRO 37 20.000% * 11.7913% (0.91 1.00 2.04 1.85) = 11.791% kept QG LYS+ 60 - HB3 PRO 37 20.000% * 9.3994% (0.60 1.00 2.48 4.44) = 9.399% kept QG2 THR 51 - HB3 PRO 37 20.000% * 0.0248% (0.20 1.00 0.02 0.02) = 0.025% Peak 1935 (2.43, 2.10, 34.42 ppm): 3 chemical-shift based assignments, quality = 0.888, support = 4.69, residual support = 88.4: O T HB2 PRO 37 - HB3 PRO 37 33.333% * 99.8943% (0.89 10.0 10.00 4.70 88.53) = 99.894% kept HA PHE 70 - HB3 PRO 37 33.333% * 0.0809% (0.72 1.0 1.00 0.02 0.02) = 0.081% HB2 GLN 8 - HB3 PRO 37 33.333% * 0.0248% (0.22 1.0 1.00 0.02 0.02) = 0.025% Peak 1936 (3.55, 2.10, 34.42 ppm): 3 chemical-shift based assignments, quality = 0.372, support = 4.18, residual support = 88.4: O T HD3 PRO 37 - HB3 PRO 37 33.333% * 99.8818% (0.37 10.0 10.00 4.18 88.53) = 99.882% kept QB SER 49 - HB3 PRO 37 33.333% * 0.0821% (0.31 1.0 1.00 0.02 0.02) = 0.082% HB3 SER 15 - HB3 PRO 37 33.333% * 0.0360% (0.13 1.0 1.00 0.02 0.02) = 0.036% Peak 1937 (4.69, 2.10, 34.42 ppm): 2 chemical-shift based assignments, quality = 0.971, support = 4.71, residual support = 88.5: O HA PRO 37 - HB3 PRO 37 50.000% * 99.9581% (0.97 10.0 4.72 88.53) = 99.958% kept HA ILE 96 - HB3 PRO 37 50.000% * 0.0419% (0.41 1.0 0.02 0.02) = 0.042% Peak 1938 (1.32, 1.94, 25.36 ppm): 5 chemical-shift based assignments, quality = 0.372, support = 2.42, residual support = 4.41: T HG LEU 63 - QG PRO 37 20.000% * 52.0199% (0.41 10.00 2.47 4.31) = 52.020% kept T QG LYS+ 60 - QG PRO 37 20.000% * 35.1813% (0.28 10.00 2.33 4.44) = 35.181% kept HG12 ILE 14 - QG PRO 37 20.000% * 8.5558% (0.61 1.00 2.23 1.85) = 8.556% kept QB ALA 34 - QG PRO 37 20.000% * 4.1814% (0.22 1.00 2.97 10.81) = 4.181% kept QG2 THR 51 - QG PRO 37 20.000% * 0.0616% (0.49 1.00 0.02 0.02) = 0.062% Peak 1939 (0.87, 1.94, 25.36 ppm): 5 chemical-shift based assignments, quality = 0.681, support = 0.02, residual support = 0.02: QD1 ILE 95 - QG PRO 37 20.000% * 32.9372% (0.94 0.02 0.02) = 32.937% kept QD2 LEU 43 - QG PRO 37 20.000% * 25.2837% (0.72 0.02 0.02) = 25.284% kept QD1 ILE 85 - QG PRO 37 20.000% * 19.7128% (0.56 0.02 0.02) = 19.713% kept QG2 VAL 40 - QG PRO 37 20.000% * 14.3144% (0.41 0.02 0.02) = 14.314% kept QD2 LEU 26 - QG PRO 37 20.000% * 7.7519% (0.22 0.02 0.02) = 7.752% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1940 (2.43, 1.94, 25.36 ppm): 3 chemical-shift based assignments, quality = 0.894, support = 4.95, residual support = 88.4: O T HB2 PRO 37 - QG PRO 37 33.333% * 99.8943% (0.89 10.0 10.00 4.96 88.53) = 99.894% kept HA PHE 70 - QG PRO 37 33.333% * 0.0809% (0.72 1.0 1.00 0.02 0.02) = 0.081% HB2 GLN 8 - QG PRO 37 33.333% * 0.0248% (0.22 1.0 1.00 0.02 0.02) = 0.025% Peak 1941 (3.56, 1.94, 25.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1942 (4.69, 1.94, 25.36 ppm): 2 chemical-shift based assignments, quality = 0.976, support = 4.97, residual support = 88.3: O HA PRO 37 - QG PRO 37 50.000% * 99.7765% (0.98 10.0 4.98 88.53) = 99.776% kept HA ILE 96 - QG PRO 37 50.000% * 0.2235% (0.41 1.0 0.11 0.02) = 0.224% Peak 1943 (2.43, 3.53, 50.28 ppm): 3 chemical-shift based assignments, quality = 0.894, support = 4.25, residual support = 88.4: O T HB2 PRO 37 - HD3 PRO 37 33.333% * 99.8943% (0.89 10.0 10.00 4.25 88.53) = 99.894% kept HA PHE 70 - HD3 PRO 37 33.333% * 0.0809% (0.72 1.0 1.00 0.02 0.02) = 0.081% HB2 GLN 8 - HD3 PRO 37 33.333% * 0.0248% (0.22 1.0 1.00 0.02 0.02) = 0.025% Peak 1944 (2.10, 3.53, 50.28 ppm): 7 chemical-shift based assignments, quality = 0.992, support = 4.17, residual support = 88.2: O T HB3 PRO 37 - HD3 PRO 37 14.286% * 99.6347% (1.00 10.0 10.00 4.18 88.53) = 99.635% kept HB2 GLU- 16 - HD3 PRO 37 14.286% * 0.0996% (1.00 1.0 1.00 0.02 0.02) = 0.100% HG2 MET 54 - HD3 PRO 37 14.286% * 0.0896% (0.89 1.0 1.00 0.02 0.02) = 0.090% HB2 MET 1 - HD3 PRO 37 14.286% * 0.0686% (0.69 1.0 1.00 0.02 0.02) = 0.069% QB ARG+ 88 - HD3 PRO 37 14.286% * 0.0565% (0.56 1.0 1.00 0.02 0.02) = 0.057% HB2 LYS+ 11 - HD3 PRO 37 14.286% * 0.0375% (0.37 1.0 1.00 0.02 0.02) = 0.037% QB MET 10 - HD3 PRO 37 14.286% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.014% Peak 1945 (1.93, 3.53, 50.28 ppm): 9 chemical-shift based assignments, quality = 0.8, support = 4.14, residual support = 85.8: O QG PRO 37 - HD3 PRO 37 11.111% * 96.8139% (0.80 10.0 4.26 88.53) = 96.814% kept HB2 LYS+ 60 - HD3 PRO 37 11.111% * 2.6529% (0.99 1.0 0.44 4.44) = 2.653% kept HB3 GLU- 16 - HD3 PRO 37 11.111% * 0.1198% (0.99 1.0 0.02 0.02) = 0.120% QB GLU- 6 - HD3 PRO 37 11.111% * 0.1185% (0.98 1.0 0.02 0.02) = 0.119% HB VAL 71 - HD3 PRO 37 11.111% * 0.0968% (0.80 1.0 0.02 0.02) = 0.097% HB3 TYR 31 - HD3 PRO 37 11.111% * 0.0968% (0.80 1.0 0.02 0.02) = 0.097% HB3 ARG+ 53 - HD3 PRO 37 11.111% * 0.0589% (0.49 1.0 0.02 0.02) = 0.059% HB3 GLU- 77 - HD3 PRO 37 11.111% * 0.0212% (0.17 1.0 0.02 0.02) = 0.021% HB2 LYS+ 17 - HD3 PRO 37 11.111% * 0.0212% (0.17 1.0 0.02 0.02) = 0.021% Peak 1946 (1.34, 3.53, 50.28 ppm): 5 chemical-shift based assignments, quality = 0.892, support = 3.15, residual support = 8.91: T QB ALA 34 - HD3 PRO 37 20.000% * 73.0845% (0.87 10.00 3.47 10.81) = 73.084% kept HG LEU 63 - HD3 PRO 37 20.000% * 11.7393% (0.99 1.00 2.81 4.31) = 11.739% kept QG LYS+ 60 - HD3 PRO 37 20.000% * 8.3440% (0.92 1.00 2.15 4.44) = 8.344% kept HG12 ILE 14 - HD3 PRO 37 20.000% * 6.8062% (0.98 1.00 1.65 1.85) = 6.806% kept QG LYS+ 55 - HD3 PRO 37 20.000% * 0.0260% (0.31 1.00 0.02 0.02) = 0.026% Peak 1947 (4.70, 3.53, 50.28 ppm): 3 chemical-shift based assignments, quality = 0.921, support = 4.26, residual support = 88.5: O HA PRO 37 - HD3 PRO 37 33.333% * 99.9464% (0.92 10.0 4.26 88.53) = 99.946% kept HA HIS 99 - HD3 PRO 37 33.333% * 0.0369% (0.34 1.0 0.02 0.02) = 0.037% HA ILE 96 - HD3 PRO 37 33.333% * 0.0167% (0.15 1.0 0.02 0.02) = 0.017% Peak 1948 (4.70, 3.63, 50.28 ppm): 3 chemical-shift based assignments, quality = 0.921, support = 4.26, residual support = 88.5: O HA PRO 37 - HD2 PRO 37 33.333% * 99.9464% (0.92 10.0 4.26 88.53) = 99.946% kept HA HIS 99 - HD2 PRO 37 33.333% * 0.0369% (0.34 1.0 0.02 0.02) = 0.037% HA ILE 96 - HD2 PRO 37 33.333% * 0.0167% (0.15 1.0 0.02 0.02) = 0.017% Peak 1949 (2.41, 3.63, 50.28 ppm): 6 chemical-shift based assignments, quality = 0.26, support = 4.09, residual support = 85.0: O HB2 PRO 37 - HD2 PRO 37 16.667% * 96.0364% (0.25 10.0 4.25 88.53) = 96.036% kept HB2 GLN 8 - HD2 PRO 37 16.667% * 1.4659% (0.87 1.0 0.09 0.02) = 1.466% kept HG3 GLU- 68 - HD2 PRO 37 16.667% * 1.2330% (0.20 1.0 0.32 0.93) = 1.233% kept HB3 ASP- 89 - HD2 PRO 37 16.667% * 1.1365% (0.56 1.0 0.10 0.02) = 1.136% kept HE3 LYS+ 56 - HD2 PRO 37 16.667% * 0.0762% (0.20 1.0 0.02 0.02) = 0.076% HA PHE 70 - HD2 PRO 37 16.667% * 0.0521% (0.14 1.0 0.02 0.02) = 0.052% Peak 1950 (1.93, 3.63, 50.28 ppm): 9 chemical-shift based assignments, quality = 0.808, support = 4.03, residual support = 82.2: O QG PRO 37 - HD2 PRO 37 11.111% * 92.4860% (0.80 10.0 4.26 88.53) = 92.486% kept HB2 LYS+ 60 - HD2 PRO 37 11.111% * 7.0047% (0.99 1.0 1.22 4.44) = 7.005% kept HB3 GLU- 16 - HD2 PRO 37 11.111% * 0.1145% (0.99 1.0 0.02 0.02) = 0.114% QB GLU- 6 - HD2 PRO 37 11.111% * 0.1132% (0.98 1.0 0.02 0.02) = 0.113% HB VAL 71 - HD2 PRO 37 11.111% * 0.0925% (0.80 1.0 0.02 0.02) = 0.092% HB3 TYR 31 - HD2 PRO 37 11.111% * 0.0925% (0.80 1.0 0.02 0.02) = 0.092% HB3 ARG+ 53 - HD2 PRO 37 11.111% * 0.0562% (0.49 1.0 0.02 0.02) = 0.056% HB3 GLU- 77 - HD2 PRO 37 11.111% * 0.0202% (0.17 1.0 0.02 0.02) = 0.020% HB2 LYS+ 17 - HD2 PRO 37 11.111% * 0.0202% (0.17 1.0 0.02 0.02) = 0.020% Peak 1951 (2.09, 3.63, 50.28 ppm): 7 chemical-shift based assignments, quality = 0.758, support = 4.16, residual support = 88.1: O HB3 PRO 37 - HD2 PRO 37 14.286% * 99.4638% (0.76 10.0 4.18 88.53) = 99.464% kept HG2 MET 54 - HD2 PRO 37 14.286% * 0.1276% (0.98 1.0 0.02 0.02) = 0.128% QB ARG+ 88 - HD2 PRO 37 14.286% * 0.1201% (0.92 1.0 0.02 0.02) = 0.120% HB2 GLU- 16 - HD2 PRO 37 14.286% * 0.1087% (0.83 1.0 0.02 0.02) = 0.109% HB2 LYS+ 11 - HD2 PRO 37 14.286% * 0.0995% (0.76 1.0 0.02 0.02) = 0.099% HB2 MET 1 - HD2 PRO 37 14.286% * 0.0402% (0.31 1.0 0.02 0.02) = 0.040% HG3 GLN 83 - HD2 PRO 37 14.286% * 0.0402% (0.31 1.0 0.02 0.02) = 0.040% Peak 1952 (1.34, 3.63, 50.28 ppm): 5 chemical-shift based assignments, quality = 0.934, support = 2.2, residual support = 5.48: QG LYS+ 60 - HD2 PRO 37 20.000% * 33.4060% (0.92 2.82 4.44) = 33.406% kept HG LEU 63 - HD2 PRO 37 20.000% * 25.9680% (0.99 2.04 4.31) = 25.968% kept QB ALA 34 - HD2 PRO 37 20.000% * 23.7444% (0.87 2.13 10.81) = 23.744% kept HG12 ILE 14 - HD2 PRO 37 20.000% * 16.8023% (0.98 1.33 1.85) = 16.802% kept QG LYS+ 55 - HD2 PRO 37 20.000% * 0.0793% (0.31 0.02 0.02) = 0.079% Peak 1953 (8.45, 2.44, 34.42 ppm): 5 chemical-shift based assignments, quality = 0.51, support = 2.18, residual support = 6.09: HN PHE 36 - HB2 PRO 37 20.000% * 47.3510% (0.28 3.73 12.33) = 47.351% kept HN THR 91 - HB2 PRO 37 20.000% * 26.8468% (0.69 0.86 0.55) = 26.847% kept HN GLU- 23 - HB2 PRO 37 20.000% * 25.4614% (0.76 0.73 0.43) = 25.461% kept HN SER 46 - HB2 PRO 37 20.000% * 0.1808% (0.20 0.02 0.02) = 0.181% HN GLY 47 - HB2 PRO 37 20.000% * 0.1600% (0.17 0.02 0.02) = 0.160% Peak 1954 (8.43, 1.94, 25.36 ppm): 2 chemical-shift based assignments, quality = 0.973, support = 3.59, residual support = 12.3: HN PHE 36 - QG PRO 37 50.000% * 99.4950% (0.98 3.61 12.33) = 99.495% kept HN GLY 47 - QG PRO 37 50.000% * 0.5050% (0.89 0.02 0.02) = 0.505% Peak 1955 (8.46, 2.10, 34.42 ppm): 3 chemical-shift based assignments, quality = 0.905, support = 0.582, residual support = 0.491: HN THR 91 - HB3 PRO 37 33.333% * 53.2799% (0.89 0.64 0.55) = 53.280% kept HN GLU- 23 - HB3 PRO 37 33.333% * 46.0234% (0.94 0.52 0.43) = 46.023% kept HN SER 46 - HB3 PRO 37 33.333% * 0.6967% (0.37 0.02 0.02) = 0.697% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1956 (4.71, 3.53, 50.28 ppm): 4 chemical-shift based assignments, quality = 0.724, support = 4.26, residual support = 88.4: O HA PRO 37 - HD3 PRO 37 25.000% * 99.8609% (0.72 10.0 4.26 88.53) = 99.861% kept HA HIS 99 - HD3 PRO 37 25.000% * 0.0779% (0.56 1.0 0.02 0.02) = 0.078% HA ARG+ 53 - HD3 PRO 37 25.000% * 0.0306% (0.22 1.0 0.02 0.02) = 0.031% HA LYS+ 20 - HD3 PRO 37 25.000% * 0.0306% (0.22 1.0 0.02 0.02) = 0.031% Peak 1957 (1.20, 2.59, 50.28 ppm): 7 chemical-shift based assignments, quality = 0.893, support = 2.14, residual support = 3.82: T QE MET 54 - HD3 PRO 35 14.286% * 98.2300% (0.89 10.00 2.18 3.89) = 98.230% kept QG2 THR 4 - HD3 PRO 35 14.286% * 1.4637% (0.96 1.00 0.28 0.02) = 1.464% kept QG2 THR 39 - HD3 PRO 35 14.286% * 0.1074% (0.98 1.00 0.02 0.02) = 0.107% HG3 GLU- 23 - HD3 PRO 35 14.286% * 0.0795% (0.72 1.00 0.02 0.02) = 0.080% HD3 LYS+ 56 - HD3 PRO 35 14.286% * 0.0664% (0.61 1.00 0.02 0.02) = 0.066% HB3 LEU 42 - HD3 PRO 35 14.286% * 0.0338% (0.31 1.00 0.02 0.02) = 0.034% QG1 VAL 65 - HD3 PRO 35 14.286% * 0.0192% (0.17 1.00 0.02 0.02) = 0.019% Peak 1958 (2.02, 2.59, 50.28 ppm): 8 chemical-shift based assignments, quality = 0.795, support = 2.76, residual support = 10.2: T HG2 PRO 33 - HD3 PRO 35 12.500% * 51.6967% (0.65 10.00 4.69 17.15) = 51.697% kept T HG3 MET 54 - HD3 PRO 35 12.500% * 33.8442% (1.00 10.00 0.85 3.89) = 33.844% kept T HB2 ARG+ 53 - HD3 PRO 35 12.500% * 13.4918% (0.92 10.00 0.37 0.02) = 13.492% kept T HB3 MET 1 - HD3 PRO 35 12.500% * 0.7167% (0.89 10.00 0.02 0.02) = 0.717% T QG PRO 12 - HD3 PRO 35 12.500% * 0.1400% (0.17 10.00 0.02 0.02) = 0.140% HB VAL 52 - HD3 PRO 35 12.500% * 0.0389% (0.49 1.00 0.02 0.02) = 0.039% HB2 LYS+ 20 - HD3 PRO 35 12.500% * 0.0389% (0.49 1.00 0.02 0.02) = 0.039% HB ILE 38 - HD3 PRO 35 12.500% * 0.0329% (0.41 1.00 0.02 0.02) = 0.033% Peak 1959 (1.85, 2.59, 50.28 ppm): 9 chemical-shift based assignments, quality = 0.839, support = 3.91, residual support = 16.3: T HB3 PRO 33 - HD3 PRO 35 11.111% * 76.1397% (0.83 10.00 4.11 17.15) = 76.140% kept HG3 PRO 33 - HD3 PRO 35 11.111% * 17.9421% (0.96 1.00 4.08 17.15) = 17.942% kept QB MET 54 - HD3 PRO 35 11.111% * 3.4543% (0.61 1.00 1.25 3.89) = 3.454% kept HB3 ARG+ 90 - HD3 PRO 35 11.111% * 1.1425% (0.92 1.00 0.27 0.02) = 1.142% kept T QE MET 10 - HD3 PRO 35 11.111% * 0.7614% (0.83 10.00 0.02 0.02) = 0.761% HB3 LYS+ 11 - HD3 PRO 35 11.111% * 0.4351% (0.76 1.00 0.12 0.02) = 0.435% HD3 PRO 25 - HD3 PRO 35 11.111% * 0.0516% (0.56 1.00 0.02 0.02) = 0.052% QB LYS+ 72 - HD3 PRO 35 11.111% * 0.0480% (0.52 1.00 0.02 0.02) = 0.048% HB ILE 24 - HD3 PRO 35 11.111% * 0.0253% (0.28 1.00 0.02 0.02) = 0.025% Peak 1960 (3.08, 2.59, 50.28 ppm): 3 chemical-shift based assignments, quality = 0.938, support = 3.48, residual support = 3.28: QB PHE 32 - HD3 PRO 35 33.333% * 75.8554% (0.98 4.21 4.16) = 75.855% kept HB2 PHE 92 - HD3 PRO 35 33.333% * 20.7655% (0.89 1.26 0.58) = 20.765% kept HB2 PHE 9 - HD3 PRO 35 33.333% * 3.3792% (0.31 0.60 0.02) = 3.379% kept Peak 1961 (3.74, 2.59, 50.28 ppm): 3 chemical-shift based assignments, quality = 0.92, support = 0.999, residual support = 1.94: O T HD2 PRO 35 - HD3 PRO 35 33.333% * 99.8855% (0.92 10.0 10.00 1.00 1.94) = 99.885% kept HA2 GLY 47 - HD3 PRO 35 33.333% * 0.0999% (0.92 1.0 1.00 0.02 0.02) = 0.100% HA2 GLY 79 - HD3 PRO 35 33.333% * 0.0146% (0.14 1.0 1.00 0.02 0.02) = 0.015% Peak 1962 (4.75, 2.59, 50.28 ppm): 6 chemical-shift based assignments, quality = 0.614, support = 2.56, residual support = 4.54: O HA ALA 34 - HD3 PRO 35 16.667% * 92.5089% (0.61 10.0 2.71 4.91) = 92.509% kept HA LYS+ 55 - HD3 PRO 35 16.667% * 4.4482% (0.94 1.0 0.62 0.02) = 4.448% kept HA ARG+ 53 - HD3 PRO 35 16.667% * 2.8014% (0.45 1.0 0.82 0.02) = 2.801% kept HA ILE 85 - HD3 PRO 35 16.667% * 0.1495% (0.98 1.0 0.02 0.02) = 0.150% HA LYS+ 20 - HD3 PRO 35 16.667% * 0.0684% (0.45 1.0 0.02 0.02) = 0.068% HA HIS 99 - HD3 PRO 35 16.667% * 0.0235% (0.15 1.0 0.02 0.02) = 0.024% Peak 1964 (3.09, 3.75, 50.28 ppm): 3 chemical-shift based assignments, quality = 0.762, support = 2.07, residual support = 3.06: QB PHE 32 - HD2 PRO 35 33.333% * 69.9675% (0.69 2.69 4.16) = 69.967% kept HB2 PHE 92 - HD2 PRO 35 33.333% * 26.0893% (0.98 0.70 0.58) = 26.089% kept HB2 PHE 9 - HD2 PRO 35 33.333% * 3.9433% (0.69 0.15 0.02) = 3.943% kept Peak 1966 (2.37, 3.75, 50.28 ppm): 3 chemical-shift based assignments, quality = 0.469, support = 0.431, residual support = 0.243: HG3 GLU- 68 - HD2 PRO 35 33.333% * 77.4054% (0.49 0.52 0.31) = 77.405% kept HE3 LYS+ 56 - HD2 PRO 35 33.333% * 17.7054% (0.49 0.12 0.02) = 17.705% kept HB3 ASP- 89 - HD2 PRO 35 33.333% * 4.8892% (0.15 0.10 0.02) = 4.889% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 1967 (2.02, 3.75, 50.28 ppm): 8 chemical-shift based assignments, quality = 0.84, support = 2.97, residual support = 15.1: T HG2 PRO 33 - HD2 PRO 35 12.500% * 85.9281% (0.83 10.00 3.23 17.15) = 85.928% kept HG3 MET 54 - HD2 PRO 35 12.500% * 8.2901% (0.92 1.00 1.75 3.89) = 8.290% kept HB2 ARG+ 53 - HD2 PRO 35 12.500% * 4.7822% (1.00 1.00 0.93 0.02) = 4.782% kept HB3 MET 1 - HD2 PRO 35 12.500% * 0.5173% (0.72 1.00 0.14 0.02) = 0.517% T QG PRO 12 - HD2 PRO 35 12.500% * 0.3175% (0.31 10.00 0.02 0.02) = 0.318% HB VAL 52 - HD2 PRO 35 12.500% * 0.0707% (0.69 1.00 0.02 0.02) = 0.071% HB ILE 38 - HD2 PRO 35 12.500% * 0.0624% (0.61 1.00 0.02 0.02) = 0.062% HB2 LYS+ 20 - HD2 PRO 35 12.500% * 0.0318% (0.31 1.00 0.02 0.02) = 0.032% Peak 1968 (1.85, 3.75, 50.28 ppm): 9 chemical-shift based assignments, quality = 0.869, support = 2.48, residual support = 15.2: HG3 PRO 33 - HD2 PRO 35 11.111% * 44.1713% (0.96 2.63 17.15) = 44.171% kept HB3 PRO 33 - HD2 PRO 35 11.111% * 42.6106% (0.83 2.94 17.15) = 42.611% kept QB MET 54 - HD2 PRO 35 11.111% * 7.9027% (0.61 0.75 3.89) = 7.903% kept HB3 ARG+ 90 - HD2 PRO 35 11.111% * 1.7168% (0.92 0.11 0.02) = 1.717% kept HB3 LYS+ 11 - HD2 PRO 35 11.111% * 1.6583% (0.76 0.12 0.02) = 1.658% kept QE MET 10 - HD2 PRO 35 11.111% * 1.4642% (0.83 0.10 0.02) = 1.464% kept HD3 PRO 25 - HD2 PRO 35 11.111% * 0.1967% (0.56 0.02 0.02) = 0.197% QB LYS+ 72 - HD2 PRO 35 11.111% * 0.1828% (0.52 0.02 0.02) = 0.183% HB ILE 24 - HD2 PRO 35 11.111% * 0.0966% (0.28 0.02 0.02) = 0.097% Peak 1969 (1.20, 3.75, 50.28 ppm): 7 chemical-shift based assignments, quality = 0.886, support = 1.06, residual support = 3.68: T QE MET 54 - HD2 PRO 35 14.286% * 94.6025% (0.89 10.00 1.11 3.89) = 94.603% kept QG2 THR 4 - HD2 PRO 35 14.286% * 2.5461% (0.96 1.00 0.28 0.02) = 2.546% kept HD3 LYS+ 56 - HD2 PRO 35 14.286% * 2.4341% (0.61 1.00 0.42 0.02) = 2.434% kept QG2 THR 39 - HD2 PRO 35 14.286% * 0.1868% (0.98 1.00 0.02 0.02) = 0.187% HG3 GLU- 23 - HD2 PRO 35 14.286% * 0.1384% (0.72 1.00 0.02 0.02) = 0.138% HB3 LEU 42 - HD2 PRO 35 14.286% * 0.0588% (0.31 1.00 0.02 0.02) = 0.059% QG1 VAL 65 - HD2 PRO 35 14.286% * 0.0334% (0.17 1.00 0.02 0.02) = 0.033% Peak 1970 (2.59, 3.75, 50.28 ppm): 6 chemical-shift based assignments, quality = 0.967, support = 0.989, residual support = 1.92: O T HD3 PRO 35 - HD2 PRO 35 16.667% * 98.9203% (0.98 10.0 10.00 1.00 1.94) = 98.920% kept HE2 LYS+ 56 - HD2 PRO 35 16.667% * 0.5461% (0.25 1.0 1.00 0.43 0.02) = 0.546% HG3 MET 10 - HD2 PRO 35 16.667% * 0.3697% (0.72 1.0 1.00 0.10 0.02) = 0.370% HB3 ASN 100 - HD2 PRO 35 16.667% * 0.0771% (0.76 1.0 1.00 0.02 0.02) = 0.077% HB3 PHE 13 - HD2 PRO 35 16.667% * 0.0452% (0.45 1.0 1.00 0.02 0.02) = 0.045% HG2 MET 1 - HD2 PRO 35 16.667% * 0.0415% (0.41 1.0 1.00 0.02 0.02) = 0.041% Peak 1971 (1.51, 1.83, 50.28 ppm): 4 chemical-shift based assignments, quality = 0.962, support = 5.81, residual support = 95.1: O HG3 PRO 25 - HD3 PRO 25 25.000% * 96.3077% (0.98 10.0 5.99 98.73) = 96.308% kept HG2 GLU- 23 - HD3 PRO 25 25.000% * 3.6183% (0.56 1.0 1.30 0.02) = 3.618% kept HG3 LYS+ 17 - HD3 PRO 25 25.000% * 0.0404% (0.41 1.0 0.02 5.56) = 0.040% HG12 ILE 95 - HD3 PRO 25 25.000% * 0.0335% (0.34 1.0 0.02 0.02) = 0.034% Peak 1972 (1.70, 1.83, 50.28 ppm): 9 chemical-shift based assignments, quality = 0.729, support = 3.96, residual support = 87.5: O HG2 PRO 25 - HD3 PRO 25 11.111% * 86.2771% (0.72 10.0 4.30 98.73) = 86.277% kept HG LEU 26 - HD3 PRO 25 11.111% * 10.8344% (0.87 1.0 2.10 21.19) = 10.834% kept HB2 GLU- 23 - HD3 PRO 25 11.111% * 2.4897% (0.41 1.0 1.02 0.02) = 2.490% kept HD3 LYS+ 55 - HD3 PRO 25 11.111% * 0.1186% (1.00 1.0 0.02 0.02) = 0.119% QD LYS+ 60 - HD3 PRO 25 11.111% * 0.1097% (0.92 1.0 0.02 0.02) = 0.110% QB GLU- 30 - HD3 PRO 25 11.111% * 0.0816% (0.69 1.0 0.02 0.02) = 0.082% HB3 LYS+ 55 - HD3 PRO 25 11.111% * 0.0446% (0.37 1.0 0.02 0.02) = 0.045% QD LYS+ 17 - HD3 PRO 25 11.111% * 0.0235% (0.20 1.0 0.02 5.56) = 0.024% HB2 LEU 43 - HD3 PRO 25 11.111% * 0.0208% (0.17 1.0 0.02 0.02) = 0.021% Peak 1973 (3.67, 4.23, 51.20 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 4.0, residual support = 64.6: O T HD3 PRO 33 - HD2 PRO 33 100.000% *100.0000% (0.92 10.0 10.00 4.00 64.62) = 100.000% kept Peak 1974 (3.05, 4.23, 51.20 ppm): 4 chemical-shift based assignments, quality = 0.271, support = 3.33, residual support = 18.8: T QB PHE 32 - HD2 PRO 33 25.000% * 95.8778% (0.25 10.00 3.46 19.51) = 95.878% kept HE2 LYS+ 60 - HD2 PRO 33 25.000% * 3.8086% (0.84 1.00 0.24 1.87) = 3.809% kept HA ARG+ 88 - HD2 PRO 33 25.000% * 0.2177% (0.57 1.00 0.02 0.02) = 0.218% HB3 ASN 69 - HD2 PRO 33 25.000% * 0.0959% (0.25 1.00 0.02 0.02) = 0.096% Peak 1975 (2.61, 4.23, 51.20 ppm): 6 chemical-shift based assignments, quality = 0.693, support = 2.75, residual support = 15.3: HD3 PRO 35 - HD2 PRO 33 16.667% * 89.1719% (0.69 3.07 17.15) = 89.172% kept HB3 ASN 100 - HD2 PRO 33 16.667% * 8.5025% (0.95 0.21 0.02) = 8.503% kept HG2 MET 1 - HD2 PRO 33 16.667% * 0.8174% (0.97 0.02 0.40) = 0.817% HG3 MET 10 - HD2 PRO 33 16.667% * 0.8174% (0.97 0.02 0.02) = 0.817% HA VAL 71 - HD2 PRO 33 16.667% * 0.4795% (0.57 0.02 0.02) = 0.480% HB2 ASP- 41 - HD2 PRO 33 16.667% * 0.2112% (0.25 0.02 0.02) = 0.211% Peak 1976 (2.35, 4.23, 51.20 ppm): 2 chemical-shift based assignments, quality = 0.779, support = 5.69, residual support = 62.4: O T HB2 PRO 33 - HD2 PRO 33 50.000% * 96.5936% (0.80 10.0 10.00 5.87 64.62) = 96.594% kept T QG GLU- 59 - HD2 PRO 33 50.000% * 3.4064% (0.18 1.0 10.00 0.32 0.11) = 3.406% kept Peak 1977 (2.03, 4.23, 51.20 ppm): 7 chemical-shift based assignments, quality = 0.987, support = 4.16, residual support = 64.3: O HG2 PRO 33 - HD2 PRO 33 14.286% * 99.5565% (0.99 10.0 4.18 64.62) = 99.557% kept HB VAL 52 - HD2 PRO 33 14.286% * 0.0927% (0.92 1.0 0.02 0.02) = 0.093% HB2 ARG+ 53 - HD2 PRO 33 14.286% * 0.0927% (0.92 1.0 0.02 0.57) = 0.093% HB ILE 38 - HD2 PRO 33 14.286% * 0.0871% (0.87 1.0 0.02 14.12) = 0.087% HG3 MET 54 - HD2 PRO 33 14.286% * 0.0690% (0.69 1.0 0.02 11.25) = 0.069% QG PRO 12 - HD2 PRO 33 14.286% * 0.0569% (0.57 1.0 0.02 0.18) = 0.057% HB3 MET 1 - HD2 PRO 33 14.286% * 0.0450% (0.45 1.0 0.02 0.40) = 0.045% Peak 1978 (3.05, 3.68, 51.20 ppm): 4 chemical-shift based assignments, quality = 0.283, support = 3.12, residual support = 18.2: T QB PHE 32 - HD3 PRO 33 25.000% * 92.7617% (0.25 10.00 3.34 19.51) = 92.762% kept HE2 LYS+ 60 - HD3 PRO 33 25.000% * 5.9277% (0.83 1.00 0.38 1.87) = 5.928% kept HB3 ASN 69 - HD3 PRO 33 25.000% * 1.1000% (0.25 1.00 0.24 0.02) = 1.100% kept HA ARG+ 88 - HD3 PRO 33 25.000% * 0.2106% (0.56 1.00 0.02 0.02) = 0.211% Peak 1979 (2.58, 3.68, 51.20 ppm): 7 chemical-shift based assignments, quality = 0.665, support = 2.03, residual support = 8.49: HD3 PRO 35 - HD3 PRO 33 14.286% * 35.0408% (0.56 3.22 17.15) = 35.041% kept HE2 LYS+ 56 - HD3 PRO 33 14.286% * 25.4852% (0.72 1.82 6.37) = 25.485% kept HB3 PHE 13 - HD3 PRO 33 14.286% * 21.7969% (0.92 1.23 3.65) = 21.797% kept HB3 TYR 81 - HD3 PRO 33 14.286% * 9.2216% (0.45 1.07 0.26) = 9.222% kept HG3 MET 1 - HD3 PRO 33 14.286% * 8.2526% (0.49 0.88 0.40) = 8.253% kept HB3 ASN 100 - HD3 PRO 33 14.286% * 0.1070% (0.28 0.02 0.02) = 0.107% HG3 MET 10 - HD3 PRO 33 14.286% * 0.0960% (0.25 0.02 0.02) = 0.096% Peak 1980 (2.33, 3.68, 51.20 ppm): 2 chemical-shift based assignments, quality = 0.988, support = 5.92, residual support = 64.6: O HB2 PRO 33 - HD3 PRO 33 50.000% * 99.9429% (0.99 10.0 5.92 64.62) = 99.943% kept QG GLU- 59 - HD3 PRO 33 50.000% * 0.0571% (0.56 1.0 0.02 0.11) = 0.057% Peak 1981 (2.03, 3.68, 51.20 ppm): 7 chemical-shift based assignments, quality = 0.985, support = 4.2, residual support = 64.3: O HG2 PRO 33 - HD3 PRO 33 14.286% * 99.5565% (0.99 10.0 4.22 64.62) = 99.557% kept HB VAL 52 - HD3 PRO 33 14.286% * 0.0927% (0.92 1.0 0.02 0.02) = 0.093% HB2 ARG+ 53 - HD3 PRO 33 14.286% * 0.0927% (0.92 1.0 0.02 0.57) = 0.093% HB ILE 38 - HD3 PRO 33 14.286% * 0.0871% (0.87 1.0 0.02 14.12) = 0.087% HG3 MET 54 - HD3 PRO 33 14.286% * 0.0690% (0.69 1.0 0.02 11.25) = 0.069% QG PRO 12 - HD3 PRO 33 14.286% * 0.0569% (0.56 1.0 0.02 0.18) = 0.057% HB3 MET 1 - HD3 PRO 33 14.286% * 0.0450% (0.45 1.0 0.02 0.40) = 0.045% Peak 1982 (0.98, 4.23, 51.20 ppm): 10 chemical-shift based assignments, quality = 0.669, support = 1.25, residual support = 3.79: HG3 LYS+ 56 - HD2 PRO 33 10.000% * 30.4290% (0.53 2.27 6.37) = 30.429% kept QG2 ILE 85 - HD2 PRO 33 10.000% * 23.6897% (1.00 0.93 2.12) = 23.690% kept QG1 VAL 40 - HD2 PRO 33 10.000% * 14.9397% (0.61 0.97 0.87) = 14.940% kept QG2 ILE 14 - HD2 PRO 33 10.000% * 11.4976% (0.57 0.80 0.57) = 11.498% kept QG2 THR 64 - HD2 PRO 33 10.000% * 8.6539% (0.87 0.39 0.02) = 8.654% kept QD1 ILE 38 - HD2 PRO 33 10.000% * 8.1580% (0.41 0.78 14.12) = 8.158% kept QD2 LEU 82 - HD2 PRO 33 10.000% * 2.1200% (0.38 0.22 0.02) = 2.120% kept HG LEU 76 - HD2 PRO 33 10.000% * 0.3092% (0.61 0.02 0.02) = 0.309% QG2 VAL 52 - HD2 PRO 33 10.000% * 0.1135% (0.22 0.02 0.02) = 0.114% HB3 ARG+ 48 - HD2 PRO 33 10.000% * 0.0893% (0.18 0.02 0.02) = 0.089% Peak 1983 (4.22, 3.68, 51.20 ppm): 1 chemical-shift based assignment, quality = 0.486, support = 4.0, residual support = 64.6: O T HD2 PRO 33 - HD3 PRO 33 100.000% *100.0000% (0.49 10.0 10.00 4.00 64.62) = 100.000% kept Peak 1984 (5.22, 4.23, 51.20 ppm): 1 chemical-shift based assignment, quality = 0.946, support = 3.2, residual support = 19.5: O HA PHE 32 - HD2 PRO 33 100.000% *100.0000% (0.95 10.0 3.20 19.51) = 100.000% kept Peak 1985 (5.22, 3.68, 51.20 ppm): 1 chemical-shift based assignment, quality = 0.944, support = 3.08, residual support = 19.5: O T HA PHE 32 - HD3 PRO 33 100.000% *100.0000% (0.94 10.0 10.00 3.08 19.51) = 100.000% kept Peak 1986 (5.21, 5.22, 57.08 ppm): 1 diagonal assignment: * HA PHE 32 - HA PHE 32 (0.87) kept Peak 1987 (3.65, 5.22, 57.08 ppm): 3 chemical-shift based assignments, quality = 0.346, support = 2.8, residual support = 16.7: O T HD3 PRO 33 - HA PHE 32 33.333% * 85.5597% (0.31 10.0 10.00 3.08 19.51) = 85.560% kept HA2 GLY 58 - HA PHE 32 33.333% * 11.2318% (0.65 1.0 1.00 1.25 0.13) = 11.232% kept HD2 PRO 37 - HA PHE 32 33.333% * 3.2085% (0.31 1.0 1.00 0.75 0.23) = 3.208% kept Peak 1989 (1.91, 5.22, 57.08 ppm): 9 chemical-shift based assignments, quality = 0.522, support = 0.527, residual support = 1.03: HB3 GLU- 59 - HA PHE 32 11.111% * 50.8989% (0.69 0.44 0.25) = 50.899% kept HB2 LYS+ 60 - HA PHE 32 11.111% * 35.8625% (0.25 0.84 2.21) = 35.863% kept HB2 LYS+ 17 - HA PHE 32 11.111% * 3.2218% (0.94 0.02 0.02) = 3.222% kept HB VAL 71 - HA PHE 32 11.111% * 2.3395% (0.69 0.02 0.02) = 2.340% kept QB LYS+ 80 - HA PHE 32 11.111% * 2.3395% (0.69 0.02 1.69) = 2.340% kept HB VAL 7 - HA PHE 32 11.111% * 2.2033% (0.65 0.02 0.02) = 2.203% kept QB PHE 70 - HA PHE 32 11.111% * 1.5270% (0.45 0.02 4.32) = 1.527% kept HB3 GLU- 16 - HA PHE 32 11.111% * 0.8493% (0.25 0.02 0.02) = 0.849% QB GLU- 6 - HA PHE 32 11.111% * 0.7583% (0.22 0.02 0.02) = 0.758% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 1990 (7.16, 5.22, 57.08 ppm): 1 chemical-shift based assignment, quality = 0.645, support = 2.82, residual support = 13.6: O HN PHE 32 - HA PHE 32 100.000% *100.0000% (0.65 10.0 2.82 13.55) = 100.000% kept Peak 1991 (7.50, 5.22, 57.08 ppm): 3 chemical-shift based assignments, quality = 0.584, support = 1.95, residual support = 3.58: HN LYS+ 60 - HA PHE 32 33.333% * 57.3406% (0.72 2.14 2.21) = 57.341% kept HN TYR 31 - HA PHE 32 33.333% * 25.5708% (0.31 2.24 8.92) = 25.571% kept HN THR 39 - HA PHE 32 33.333% * 17.0885% (0.52 0.88 0.16) = 17.089% kept Peak 1992 (3.06, 3.07, 38.63 ppm): 1 diagonal assignment: * QB PHE 32 - QB PHE 32 (0.87) kept Peak 1993 (7.17, 3.07, 38.63 ppm): 1 chemical-shift based assignment, quality = 0.308, support = 2.62, residual support = 13.6: O HN PHE 32 - QB PHE 32 100.000% *100.0000% (0.31 10.0 2.62 13.55) = 100.000% kept Peak 1994 (7.55, 3.07, 38.63 ppm): 2 chemical-shift based assignments, quality = 0.82, support = 1.75, residual support = 1.67: HN LYS+ 80 - QB PHE 32 50.000% * 98.7478% (0.82 1.77 1.69) = 98.748% kept HN ASN 29 - QB PHE 32 50.000% * 1.2522% (0.92 0.02 0.02) = 1.252% kept Peak 1995 (4.72, 3.07, 38.63 ppm): 5 chemical-shift based assignments, quality = 0.776, support = 2.09, residual support = 1.37: HA ALA 34 - QB PHE 32 20.000% * 74.5236% (0.76 2.65 1.81) = 74.524% kept HA ARG+ 53 - QB PHE 32 20.000% * 17.4195% (0.89 0.53 0.11) = 17.419% kept HA LYS+ 20 - QB PHE 32 20.000% * 5.4923% (0.89 0.17 0.02) = 5.492% kept HA ILE 85 - QB PHE 32 20.000% * 1.8444% (0.15 0.33 0.02) = 1.844% kept HA HIS 99 - QB PHE 32 20.000% * 0.7202% (0.98 0.02 0.02) = 0.720% Peak 1996 (4.21, 3.07, 38.63 ppm): 1 chemical-shift based assignment, quality = 0.374, support = 3.46, residual support = 19.5: T HD2 PRO 33 - QB PHE 32 100.000% *100.0000% (0.37 10.00 3.46 19.51) = 100.000% kept Peak 1997 (3.70, 3.07, 38.63 ppm): 2 chemical-shift based assignments, quality = 0.386, support = 2.9, residual support = 15.2: T HD3 PRO 33 - QB PHE 32 50.000% * 76.6114% (0.22 10.00 3.34 19.51) = 76.611% kept HA2 GLY 79 - QB PHE 32 50.000% * 23.3886% (0.92 1.00 1.47 0.89) = 23.389% kept Peak 1998 (3.05, 5.22, 57.08 ppm): 4 chemical-shift based assignments, quality = 0.455, support = 3.01, residual support = 12.6: O QB PHE 32 - HA PHE 32 25.000% * 91.3624% (0.45 10.0 3.19 13.55) = 91.362% kept HE2 LYS+ 60 - HA PHE 32 25.000% * 7.3890% (0.61 1.0 1.20 2.21) = 7.389% kept HB2 PHE 92 - HA PHE 32 25.000% * 1.1791% (0.15 1.0 0.75 3.52) = 1.179% kept HA ARG+ 88 - HA PHE 32 25.000% * 0.0695% (0.34 1.0 0.02 0.02) = 0.070% Peak 1999 (4.73, 3.75, 50.28 ppm): 6 chemical-shift based assignments, quality = 0.993, support = 2.38, residual support = 4.81: O HA ALA 34 - HD2 PRO 35 16.667% * 97.8851% (1.00 10.0 2.42 4.91) = 97.885% kept HA ARG+ 53 - HD2 PRO 35 16.667% * 1.8706% (0.98 1.0 0.39 0.02) = 1.871% kept HA LYS+ 20 - HD2 PRO 35 16.667% * 0.0962% (0.98 1.0 0.02 0.02) = 0.096% HA HIS 99 - HD2 PRO 35 16.667% * 0.0674% (0.69 1.0 0.02 0.02) = 0.067% HA ILE 85 - HD2 PRO 35 16.667% * 0.0440% (0.45 1.0 0.02 0.02) = 0.044% HA LYS+ 55 - HD2 PRO 35 16.667% * 0.0368% (0.37 1.0 0.02 0.02) = 0.037% Peak 2000 (7.51, 4.37, 63.64 ppm): 2 chemical-shift based assignments, quality = 0.252, support = 1.92, residual support = 4.82: HN THR 39 - HA PRO 33 50.000% * 58.3733% (0.19 2.54 6.92) = 58.373% kept HN LYS+ 60 - HA PRO 33 50.000% * 41.6267% (0.33 1.05 1.87) = 41.627% kept Peak 2001 (8.20, 4.37, 63.64 ppm): 5 chemical-shift based assignments, quality = 0.687, support = 1.7, residual support = 6.19: HN ILE 38 - HA PRO 33 20.000% * 39.1696% (0.59 2.51 14.12) = 39.170% kept HN SER 19 - HA PRO 33 20.000% * 29.4518% (0.71 1.58 1.63) = 29.452% kept HN GLU- 6 - HA PRO 33 20.000% * 19.3929% (0.95 0.78 0.49) = 19.393% kept HN SER 21 - HA PRO 33 20.000% * 11.7928% (0.52 0.87 0.71) = 11.793% kept HN ILE 96 - HA PRO 33 20.000% * 0.1930% (0.37 0.02 0.02) = 0.193% Peak 2002 (8.20, 2.34, 32.25 ppm): 5 chemical-shift based assignments, quality = 0.674, support = 2.78, residual support = 6.94: HN ILE 38 - HB2 PRO 33 20.000% * 44.7559% (0.60 4.19 14.12) = 44.756% kept HN SER 19 - HB2 PRO 33 20.000% * 27.7601% (0.72 2.17 1.63) = 27.760% kept HN GLU- 6 - HB2 PRO 33 20.000% * 14.3709% (0.96 0.85 0.49) = 14.371% kept HN SER 21 - HB2 PRO 33 20.000% * 12.9810% (0.52 1.40 0.71) = 12.981% kept HN ILE 96 - HB2 PRO 33 20.000% * 0.1322% (0.37 0.02 0.02) = 0.132% Peak 2003 (7.83, 2.34, 32.25 ppm): 1 chemical-shift based assignment, quality = 0.828, support = 0.75, residual support = 1.94: HN MET 101 - HB2 PRO 33 100.000% *100.0000% (0.83 0.75 1.94) = 100.000% kept Peak 2004 (7.49, 2.34, 32.25 ppm): 4 chemical-shift based assignments, quality = 0.86, support = 3.93, residual support = 5.76: HN THR 39 - HB2 PRO 33 25.000% * 79.0592% (0.86 4.79 6.92) = 79.059% kept HN LYS+ 60 - HB2 PRO 33 25.000% * 15.2433% (0.97 0.82 1.87) = 15.243% kept HN TYR 31 - HB2 PRO 33 25.000% * 4.3046% (0.64 0.35 0.02) = 4.305% kept HN LEU 76 - HB2 PRO 33 25.000% * 1.3929% (0.31 0.24 0.02) = 1.393% kept Peak 2005 (4.74, 2.34, 32.25 ppm): 6 chemical-shift based assignments, quality = 0.778, support = 2.43, residual support = 3.1: HA ALA 34 - HB2 PRO 33 16.667% * 34.1669% (0.83 3.27 5.52) = 34.167% kept HA LYS+ 55 - HB2 PRO 33 16.667% * 26.5791% (0.76 2.78 2.76) = 26.579% kept HA ILE 85 - HB2 PRO 33 16.667% * 18.1109% (0.83 1.73 2.12) = 18.111% kept HA ARG+ 53 - HB2 PRO 33 16.667% * 11.2729% (0.68 1.31 0.57) = 11.273% kept HA LYS+ 20 - HB2 PRO 33 16.667% * 9.7930% (0.68 1.14 0.29) = 9.793% kept HA HIS 99 - HB2 PRO 33 16.667% * 0.0772% (0.31 0.02 0.02) = 0.077% Peak 2006 (1.45, 2.34, 32.25 ppm): 6 chemical-shift based assignments, quality = 0.368, support = 3.15, residual support = 11.8: HG13 ILE 38 - HB2 PRO 33 16.667% * 83.4959% (0.34 3.70 14.12) = 83.496% kept HB3 PHE 84 - HB2 PRO 33 16.667% * 8.0357% (0.20 0.61 0.02) = 8.036% kept HB2 LEU 63 - HB2 PRO 33 16.667% * 5.8222% (0.99 0.09 0.02) = 5.822% kept HB3 ASN 74 - HB2 PRO 33 16.667% * 1.2953% (0.97 0.02 0.32) = 1.295% kept HG3 LYS+ 72 - HB2 PRO 33 16.667% * 0.8549% (0.64 0.02 0.75) = 0.855% HB3 GLU- 23 - HB2 PRO 33 16.667% * 0.4960% (0.37 0.02 0.02) = 0.496% Peak 2007 (1.19, 2.34, 32.25 ppm): 7 chemical-shift based assignments, quality = 0.772, support = 3.63, residual support = 9.16: QE MET 54 - HB2 PRO 33 14.286% * 58.4019% (0.68 5.31 11.25) = 58.402% kept QG2 THR 39 - HB2 PRO 33 14.286% * 19.6049% (0.97 1.25 6.92) = 19.605% kept HD3 LYS+ 56 - HB2 PRO 33 14.286% * 19.3093% (0.83 1.44 6.37) = 19.309% kept QG2 THR 4 - HB2 PRO 33 14.286% * 2.4293% (0.98 0.15 0.02) = 2.429% kept HG3 GLU- 23 - HB2 PRO 33 14.286% * 0.1558% (0.48 0.02 0.02) = 0.156% HB3 LEU 42 - HB2 PRO 33 14.286% * 0.0494% (0.15 0.02 0.02) = 0.049% HB3 LEU 43 - HB2 PRO 33 14.286% * 0.0494% (0.15 0.02 0.02) = 0.049% Peak 2008 (0.97, 2.34, 32.25 ppm): 10 chemical-shift based assignments, quality = 0.651, support = 2.21, residual support = 4.91: HG3 LYS+ 56 - HB2 PRO 33 10.000% * 28.5229% (0.68 2.75 6.37) = 28.523% kept QG2 ILE 85 - HB2 PRO 33 10.000% * 26.8944% (0.94 1.88 2.12) = 26.894% kept QD1 ILE 38 - HB2 PRO 33 10.000% * 16.9152% (0.28 4.02 14.12) = 16.915% kept QG1 VAL 40 - HB2 PRO 33 10.000% * 9.3090% (0.44 1.37 0.87) = 9.309% kept QG2 ILE 14 - HB2 PRO 33 10.000% * 8.9637% (0.72 0.82 0.57) = 8.964% kept QG2 THR 64 - HB2 PRO 33 10.000% * 4.6296% (0.72 0.42 0.02) = 4.630% kept QG2 VAL 52 - HB2 PRO 33 10.000% * 2.7824% (0.34 0.54 0.02) = 2.782% kept QD2 LEU 82 - HB2 PRO 33 10.000% * 1.7632% (0.52 0.22 0.02) = 1.763% kept HG LEU 76 - HB2 PRO 33 10.000% * 0.1356% (0.44 0.02 0.02) = 0.136% HB3 ARG+ 48 - HB2 PRO 33 10.000% * 0.0841% (0.28 0.02 0.02) = 0.084% Peak 2009 (1.51, 1.86, 32.25 ppm): 5 chemical-shift based assignments, quality = 0.66, support = 0.02, residual support = 0.0727: HG3 PRO 25 - HB3 PRO 33 20.000% * 36.0619% (0.98 0.02 0.02) = 36.062% kept HG3 LYS+ 17 - HB3 PRO 33 20.000% * 22.0680% (0.60 0.02 0.26) = 22.068% kept HG12 ILE 95 - HB3 PRO 33 20.000% * 19.1424% (0.52 0.02 0.02) = 19.142% kept HG2 GLU- 23 - HB3 PRO 33 20.000% * 13.6553% (0.37 0.02 0.02) = 13.655% kept HG2 ARG+ 48 - HB3 PRO 33 20.000% * 9.0724% (0.25 0.02 0.02) = 9.072% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2010 (1.19, 1.86, 32.25 ppm): 7 chemical-shift based assignments, quality = 0.574, support = 3.24, residual support = 10.2: T QE MET 54 - HB3 PRO 33 14.286% * 79.2074% (0.48 10.00 3.71 11.25) = 79.207% kept HD3 LYS+ 56 - HB3 PRO 33 14.286% * 14.3636% (0.96 1.00 1.83 6.37) = 14.364% kept QG2 THR 39 - HB3 PRO 33 14.286% * 5.2053% (0.86 1.00 0.74 6.92) = 5.205% kept QG2 THR 4 - HB3 PRO 33 14.286% * 1.1031% (0.89 1.00 0.15 0.02) = 1.103% kept HG3 GLU- 23 - HB3 PRO 33 14.286% * 0.0502% (0.31 1.00 0.02 0.02) = 0.050% HB3 LEU 43 - HB3 PRO 33 14.286% * 0.0452% (0.28 1.00 0.02 0.02) = 0.045% HG3 ARG+ 48 - HB3 PRO 33 14.286% * 0.0251% (0.15 1.00 0.02 0.02) = 0.025% Peak 2011 (0.97, 1.86, 32.25 ppm): 10 chemical-shift based assignments, quality = 0.705, support = 1.59, residual support = 3.95: HG3 LYS+ 56 - HB3 PRO 33 10.000% * 31.4023% (0.68 2.39 6.37) = 31.402% kept QG2 ILE 85 - HB3 PRO 33 10.000% * 29.2344% (0.94 1.62 2.12) = 29.234% kept QG2 ILE 14 - HB3 PRO 33 10.000% * 11.6097% (0.72 0.84 0.57) = 11.610% kept QG2 THR 64 - HB3 PRO 33 10.000% * 8.8616% (0.72 0.64 0.02) = 8.862% kept QD1 ILE 38 - HB3 PRO 33 10.000% * 8.4326% (0.28 1.59 14.12) = 8.433% kept QG1 VAL 40 - HB3 PRO 33 10.000% * 7.8238% (0.44 0.91 0.87) = 7.824% kept QD2 LEU 82 - HB3 PRO 33 10.000% * 2.2276% (0.52 0.22 0.02) = 2.228% kept HG LEU 76 - HB3 PRO 33 10.000% * 0.1713% (0.44 0.02 0.02) = 0.171% QG2 VAL 52 - HB3 PRO 33 10.000% * 0.1304% (0.34 0.02 0.02) = 0.130% HB3 ARG+ 48 - HB3 PRO 33 10.000% * 0.1063% (0.28 0.02 0.02) = 0.106% Peak 2012 (2.57, 2.03, 27.62 ppm): 14 chemical-shift based assignments, quality = 0.711, support = 2.12, residual support = 6.04: T HG3 MET 1 - HG2 PRO 33 7.143% * 43.7786% (0.89 10.00 0.82 0.40) = 43.779% kept T HD3 PRO 35 - HG2 PRO 33 7.143% * 23.5452% (0.20 10.00 4.69 17.15) = 23.545% kept HE2 LYS+ 56 - HG2 PRO 33 7.143% * 12.6874% (1.00 1.00 2.14 6.37) = 12.687% kept HB3 PHE 13 - HG2 PRO 33 7.143% * 12.0164% (0.94 1.00 2.14 3.65) = 12.016% kept HB3 PHE 13 - QG PRO 12 7.143% * 3.3367% (0.17 1.00 3.20 17.21) = 3.337% kept HB3 TYR 81 - HG2 PRO 33 7.143% * 3.1912% (0.87 1.00 0.62 0.26) = 3.191% kept HB3 ASP- 41 - HG2 PRO 33 7.143% * 0.7290% (0.20 1.00 0.62 0.02) = 0.729% HE2 LYS+ 56 - QG PRO 12 7.143% * 0.6095% (0.18 1.00 0.55 0.02) = 0.610% T HD3 PRO 35 - QG PRO 12 7.143% * 0.0436% (0.04 10.00 0.02 0.02) = 0.044% HG3 MET 1 - QG PRO 12 7.143% * 0.0198% (0.17 1.00 0.02 0.02) = 0.020% HB3 TYR 81 - QG PRO 12 7.143% * 0.0191% (0.16 1.00 0.02 0.02) = 0.019% HB3 ASN 75 - HG2 PRO 33 7.143% * 0.0161% (0.14 1.00 0.02 0.02) = 0.016% HB3 ASP- 41 - QG PRO 12 7.143% * 0.0044% (0.04 1.00 0.02 0.02) = 0.004% HB3 ASN 75 - QG PRO 12 7.143% * 0.0030% (0.03 1.00 0.02 0.02) = 0.003% Peak 2013 (2.57, 1.86, 32.25 ppm): 6 chemical-shift based assignments, quality = 0.609, support = 3.27, residual support = 10.9: T HD3 PRO 35 - HB3 PRO 33 16.667% * 51.6970% (0.34 10.00 4.11 17.15) = 51.697% kept HE2 LYS+ 56 - HB3 PRO 33 16.667% * 21.9424% (0.91 1.00 3.14 6.37) = 21.942% kept HB3 PHE 13 - HB3 PRO 33 16.667% * 16.9446% (0.99 1.00 2.24 3.65) = 16.945% kept HG3 MET 1 - HB3 PRO 33 16.667% * 4.8483% (0.72 1.00 0.88 0.40) = 4.848% kept HB3 TYR 81 - HB3 PRO 33 16.667% * 4.5472% (0.68 1.00 0.87 0.26) = 4.547% kept HB3 ASN 100 - HB3 PRO 33 16.667% * 0.0205% (0.13 1.00 0.02 0.02) = 0.021% Peak 2014 (1.40, 2.03, 27.62 ppm): 10 chemical-shift based assignments, quality = 0.192, support = 1.91, residual support = 13.3: T HG13 ILE 38 - HG2 PRO 33 10.000% * 94.0050% (0.15 10.00 2.03 14.12) = 94.005% kept QB ALA 2 - HG2 PRO 33 10.000% * 2.9188% (1.00 1.00 0.10 0.02) = 2.919% kept HB3 LYS+ 60 - HG2 PRO 33 10.000% * 2.2724% (0.80 1.00 0.09 1.87) = 2.272% kept HG2 ARG+ 88 - HG2 PRO 33 10.000% * 0.2078% (0.34 1.00 0.02 0.02) = 0.208% T HG13 ILE 38 - QG PRO 12 10.000% * 0.1742% (0.03 10.00 0.02 0.02) = 0.174% HG2 LYS+ 17 - HG2 PRO 33 10.000% * 0.1519% (0.25 1.00 0.02 0.26) = 0.152% QB ALA 2 - QG PRO 12 10.000% * 0.1127% (0.18 1.00 0.02 0.02) = 0.113% HB3 LYS+ 60 - QG PRO 12 10.000% * 0.0904% (0.15 1.00 0.02 0.02) = 0.090% HG2 ARG+ 88 - QG PRO 12 10.000% * 0.0385% (0.06 1.00 0.02 0.02) = 0.039% HG2 LYS+ 17 - QG PRO 12 10.000% * 0.0282% (0.05 1.00 0.02 0.02) = 0.028% Peak 2015 (1.21, 2.03, 27.62 ppm): 14 chemical-shift based assignments, quality = 0.778, support = 3.51, residual support = 11.0: T QE MET 54 - HG2 PRO 33 7.143% * 95.3334% (0.80 10.00 3.62 11.25) = 95.333% kept QG2 THR 39 - HG2 PRO 33 7.143% * 3.8967% (0.41 1.00 1.59 6.92) = 3.897% kept QG2 THR 4 - HG2 PRO 33 7.143% * 0.3052% (0.37 1.00 0.14 0.02) = 0.305% HG3 GLU- 23 - HG2 PRO 33 7.143% * 0.1126% (0.94 1.00 0.02 0.02) = 0.113% HB3 LEU 42 - HG2 PRO 33 7.143% * 0.1099% (0.92 1.00 0.02 0.02) = 0.110% QG1 VAL 65 - HG2 PRO 33 7.143% * 0.0910% (0.76 1.00 0.02 0.02) = 0.091% HB3 LYS+ 56 - HG2 PRO 33 7.143% * 0.0489% (0.41 1.00 0.02 6.37) = 0.049% HG3 GLU- 23 - QG PRO 12 7.143% * 0.0209% (0.17 1.00 0.02 0.02) = 0.021% HB3 LEU 42 - QG PRO 12 7.143% * 0.0204% (0.17 1.00 0.02 0.02) = 0.020% QE MET 54 - QG PRO 12 7.143% * 0.0177% (0.15 1.00 0.02 0.02) = 0.018% QG1 VAL 65 - QG PRO 12 7.143% * 0.0169% (0.14 1.00 0.02 0.02) = 0.017% QG2 THR 39 - QG PRO 12 7.143% * 0.0091% (0.08 1.00 0.02 0.02) = 0.009% HB3 LYS+ 56 - QG PRO 12 7.143% * 0.0091% (0.08 1.00 0.02 0.02) = 0.009% QG2 THR 4 - QG PRO 12 7.143% * 0.0083% (0.07 1.00 0.02 0.02) = 0.008% Peak 2016 (0.99, 2.03, 27.62 ppm): 12 chemical-shift based assignments, quality = 0.932, support = 1.41, residual support = 8.46: T QD1 ILE 38 - HG2 PRO 33 8.333% * 56.9270% (0.92 10.00 1.68 14.12) = 56.927% kept T QG1 VAL 40 - HG2 PRO 33 8.333% * 35.6946% (1.00 10.00 0.97 0.87) = 35.695% kept QG2 ILE 85 - HG2 PRO 33 8.333% * 5.0242% (0.69 1.00 1.99 2.12) = 5.024% kept QG2 THR 64 - HG2 PRO 33 8.333% * 1.9699% (0.92 1.00 0.58 0.02) = 1.970% kept T QG1 VAL 40 - QG PRO 12 8.333% * 0.1361% (0.18 10.00 0.02 0.02) = 0.136% T QD1 ILE 38 - QG PRO 12 8.333% * 0.1259% (0.17 10.00 0.02 0.02) = 0.126% HG LEU 76 - HG2 PRO 33 8.333% * 0.0734% (1.00 1.00 0.02 0.02) = 0.073% HG LEU 76 - QG PRO 12 8.333% * 0.0136% (0.18 1.00 0.02 0.02) = 0.014% QG2 THR 64 - QG PRO 12 8.333% * 0.0126% (0.17 1.00 0.02 0.02) = 0.013% QG2 THR 91 - HG2 PRO 33 8.333% * 0.0114% (0.15 1.00 0.02 0.02) = 0.011% QG2 ILE 85 - QG PRO 12 8.333% * 0.0094% (0.13 1.00 0.02 0.02) = 0.009% QG2 THR 91 - QG PRO 12 8.333% * 0.0021% (0.03 1.00 0.02 0.02) = 0.002% Peak 2017 (2.33, 1.85, 27.62 ppm): 2 chemical-shift based assignments, quality = 0.867, support = 3.81, residual support = 64.6: O T HB2 PRO 33 - HG3 PRO 33 50.000% * 99.9078% (0.87 10.0 10.00 3.81 64.62) = 99.908% kept QG GLU- 59 - HG3 PRO 33 50.000% * 0.0922% (0.80 1.0 1.00 0.02 0.11) = 0.092% Peak 2018 (2.56, 1.85, 27.62 ppm): 6 chemical-shift based assignments, quality = 0.89, support = 1.57, residual support = 3.59: HB3 PHE 13 - HG3 PRO 33 16.667% * 37.1578% (0.76 2.22 3.65) = 37.158% kept HE2 LYS+ 56 - HG3 PRO 33 16.667% * 33.4573% (0.95 1.61 6.37) = 33.457% kept HG3 MET 1 - HG3 PRO 33 16.667% * 17.2652% (1.00 0.79 0.40) = 17.265% kept HB3 TYR 81 - HG3 PRO 33 16.667% * 11.8335% (0.99 0.55 0.26) = 11.833% kept HB3 ASP- 41 - HG3 PRO 33 16.667% * 0.1644% (0.38 0.02 0.02) = 0.164% HB3 ASN 75 - HG3 PRO 33 16.667% * 0.1218% (0.28 0.02 0.02) = 0.122% Peak 2019 (3.71, 1.85, 27.62 ppm): 1 chemical-shift based assignment, quality = 0.946, support = 0.655, residual support = 1.02: HA2 GLY 79 - HG3 PRO 33 100.000% *100.0000% (0.95 0.66 1.02) = 100.000% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2020 (3.72, 2.03, 27.62 ppm): 6 chemical-shift based assignments, quality = 0.418, support = 3.08, residual support = 16.1: T HD2 PRO 35 - HG2 PRO 33 16.667% * 93.6653% (0.41 10.00 3.23 17.15) = 93.665% kept HA2 GLY 79 - HG2 PRO 33 16.667% * 6.0262% (0.56 1.00 0.93 1.02) = 6.026% kept T HD2 PRO 35 - QG PRO 12 16.667% * 0.1736% (0.08 10.00 0.02 0.02) = 0.174% HA2 GLY 47 - HG2 PRO 33 16.667% * 0.0937% (0.41 1.00 0.02 0.02) = 0.094% HA2 GLY 79 - QG PRO 12 16.667% * 0.0239% (0.10 1.00 0.02 0.02) = 0.024% HA2 GLY 47 - QG PRO 12 16.667% * 0.0174% (0.08 1.00 0.02 0.02) = 0.017% Peak 2021 (4.36, 2.03, 27.62 ppm): 14 chemical-shift based assignments, quality = 0.818, support = 4.1, residual support = 35.5: T HA ILE 38 - HG2 PRO 33 7.143% * 57.1429% (0.92 1.0 10.00 2.68 14.12) = 57.143% kept O HA PRO 33 - HG2 PRO 33 7.143% * 42.5211% (0.69 10.0 1.00 6.04 64.62) = 42.521% kept T HA ILE 38 - QG PRO 12 7.143% * 0.1059% (0.17 1.0 10.00 0.02 0.02) = 0.106% HA ILE 14 - HG2 PRO 33 7.143% * 0.0586% (0.94 1.0 1.00 0.02 0.57) = 0.059% HA THR 4 - HG2 PRO 33 7.143% * 0.0473% (0.76 1.0 1.00 0.02 0.02) = 0.047% HB THR 4 - HG2 PRO 33 7.143% * 0.0350% (0.56 1.0 1.00 0.02 0.02) = 0.035% HA1 GLY 47 - HG2 PRO 33 7.143% * 0.0254% (0.41 1.0 1.00 0.02 0.02) = 0.025% HA ASP- 73 - HG2 PRO 33 7.143% * 0.0211% (0.34 1.0 1.00 0.02 1.61) = 0.021% HA ILE 14 - QG PRO 12 7.143% * 0.0109% (0.17 1.0 1.00 0.02 0.46) = 0.011% HA THR 4 - QG PRO 12 7.143% * 0.0088% (0.14 1.0 1.00 0.02 0.02) = 0.009% HA PRO 33 - QG PRO 12 7.143% * 0.0079% (0.13 1.0 1.00 0.02 0.18) = 0.008% HB THR 4 - QG PRO 12 7.143% * 0.0065% (0.10 1.0 1.00 0.02 0.02) = 0.006% HA1 GLY 47 - QG PRO 12 7.143% * 0.0047% (0.08 1.0 1.00 0.02 0.02) = 0.005% HA ASP- 73 - QG PRO 12 7.143% * 0.0039% (0.06 1.0 1.00 0.02 0.02) = 0.004% Peak 2022 (4.38, 1.85, 27.62 ppm): 5 chemical-shift based assignments, quality = 0.865, support = 2.8, residual support = 64.5: O T HA PRO 33 - HG3 PRO 33 20.000% * 99.7501% (0.87 10.0 10.00 2.81 64.62) = 99.750% kept HA1 GLY 47 - HG3 PRO 33 20.000% * 0.1147% (1.00 1.0 1.00 0.02 0.02) = 0.115% HA ILE 14 - HG3 PRO 33 20.000% * 0.0651% (0.57 1.0 1.00 0.02 0.57) = 0.065% HA ASN 29 - HG3 PRO 33 20.000% * 0.0473% (0.41 1.0 1.00 0.02 0.02) = 0.047% HA ILE 38 - HG3 PRO 33 20.000% * 0.0228% (0.20 1.0 1.00 0.02 14.12) = 0.023% Peak 2023 (4.21, 2.34, 32.25 ppm): 1 chemical-shift based assignment, quality = 0.372, support = 5.87, residual support = 64.6: O T HD2 PRO 33 - HB2 PRO 33 100.000% *100.0000% (0.37 10.0 10.00 5.87 64.62) = 100.000% kept Peak 2024 (4.76, 2.03, 27.62 ppm): 8 chemical-shift based assignments, quality = 0.601, support = 2.44, residual support = 3.25: HA LYS+ 55 - HG2 PRO 33 12.500% * 50.1447% (0.83 1.77 2.76) = 50.145% kept HA ALA 34 - HG2 PRO 33 12.500% * 27.0147% (0.15 5.17 5.52) = 27.015% kept HA ILE 85 - HG2 PRO 33 12.500% * 17.6673% (0.76 0.68 2.12) = 17.667% kept HA LYS+ 55 - QG PRO 12 12.500% * 3.4777% (0.15 0.66 0.02) = 3.478% kept HA THR 64 - QG PRO 12 12.500% * 1.2770% (0.08 0.45 0.02) = 1.277% kept HA THR 64 - HG2 PRO 33 12.500% * 0.3034% (0.45 0.02 0.02) = 0.303% HA ILE 85 - QG PRO 12 12.500% * 0.0959% (0.14 0.02 0.02) = 0.096% HA ALA 34 - QG PRO 12 12.500% * 0.0194% (0.03 0.02 0.02) = 0.019% Peak 2025 (4.75, 1.86, 32.25 ppm): 6 chemical-shift based assignments, quality = 0.77, support = 2.53, residual support = 3.24: HA ALA 34 - HB3 PRO 33 16.667% * 36.1254% (0.72 3.77 5.52) = 36.125% kept HA LYS+ 55 - HB3 PRO 33 16.667% * 27.4754% (0.86 2.40 2.76) = 27.475% kept HA ILE 85 - HB3 PRO 33 16.667% * 19.6269% (0.91 1.61 2.12) = 19.627% kept HA LYS+ 20 - HB3 PRO 33 16.667% * 9.0964% (0.56 1.22 0.29) = 9.096% kept HA ARG+ 53 - HB3 PRO 33 16.667% * 7.6171% (0.56 1.02 0.57) = 7.617% kept HA HIS 99 - HB3 PRO 33 16.667% * 0.0588% (0.22 0.02 0.02) = 0.059% Peak 2026 (7.72, 1.86, 32.25 ppm): 1 chemical-shift based assignment, quality = 0.982, support = 0.75, residual support = 0.75: HN LYS+ 72 - HB3 PRO 33 100.000% *100.0000% (0.98 0.75 0.75) = 100.000% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2027 (8.19, 1.86, 32.25 ppm): 5 chemical-shift based assignments, quality = 0.735, support = 1.4, residual support = 5.23: HN ILE 38 - HB3 PRO 33 20.000% * 32.4375% (0.91 1.29 14.12) = 32.438% kept HN SER 21 - HB3 PRO 33 20.000% * 28.8782% (0.86 1.22 0.71) = 28.878% kept HN SER 19 - HB3 PRO 33 20.000% * 22.7020% (0.37 2.22 1.63) = 22.702% kept HN GLU- 6 - HB3 PRO 33 20.000% * 15.5242% (0.68 0.83 0.49) = 15.524% kept HN ILE 96 - HB3 PRO 33 20.000% * 0.4581% (0.13 0.12 0.02) = 0.458% Peak 2028 (8.56, 1.86, 32.25 ppm): 3 chemical-shift based assignments, quality = 0.903, support = 1.64, residual support = 1.83: HN ASP- 73 - HB3 PRO 33 33.333% * 50.4545% (0.86 1.85 1.61) = 50.455% kept HN PHE 9 - HB3 PRO 33 33.333% * 46.2770% (0.96 1.52 2.20) = 46.277% kept HN VAL 94 - HB3 PRO 33 33.333% * 3.2685% (0.83 0.12 0.02) = 3.268% kept Peak 2029 (8.67, 4.23, 51.20 ppm): 2 chemical-shift based assignments, quality = 0.224, support = 0.726, residual support = 0.703: HN GLN 8 - HD2 PRO 33 50.000% * 96.7771% (0.22 0.75 0.73) = 96.777% kept HN GLY 98 - HD2 PRO 33 50.000% * 3.2229% (0.28 0.02 0.02) = 3.223% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2030 (7.06, 4.23, 51.20 ppm): 1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.259: HN LYS+ 17 - HD2 PRO 33 100.000% *100.0000% (0.90 0.02 0.26) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2031 (7.53, 3.68, 51.20 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2032 (8.65, 3.68, 51.20 ppm): 1 chemical-shift based assignment, quality = 0.605, support = 0.02, residual support = 0.726: HN GLN 8 - HD3 PRO 33 100.000% *100.0000% (0.61 0.02 0.73) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2034 (1.73, 2.04, 38.55 ppm): 9 chemical-shift based assignments, quality = 0.958, support = 5.68, residual support = 174.0: O T HG12 ILE 38 - HB ILE 38 11.111% * 95.3568% (1.00 10.0 10.00 5.94 181.97) = 95.357% kept T QD LYS+ 60 - HB ILE 38 11.111% * 3.7367% (0.17 1.0 10.00 0.45 12.78) = 3.737% kept QB GLU- 30 - HB ILE 38 11.111% * 0.5977% (0.37 1.0 1.00 0.33 0.02) = 0.598% HB2 ARG+ 48 - HB ILE 38 11.111% * 0.0935% (0.98 1.0 1.00 0.02 0.02) = 0.093% HB2 GLU- 23 - HB ILE 38 11.111% * 0.0617% (0.65 1.0 1.00 0.02 0.02) = 0.062% HB3 PRO 25 - HB ILE 38 11.111% * 0.0617% (0.65 1.0 1.00 0.02 0.02) = 0.062% HB ILE 14 - HB ILE 38 11.111% * 0.0578% (0.61 1.0 1.00 0.02 0.15) = 0.058% HG LEU 26 - HB ILE 38 11.111% * 0.0212% (0.22 1.0 1.00 0.02 0.02) = 0.021% HB2 LYS+ 55 - HB ILE 38 11.111% * 0.0129% (0.14 1.0 1.00 0.02 0.88) = 0.013% Peak 2035 (1.43, 2.04, 38.55 ppm): 4 chemical-shift based assignments, quality = 0.962, support = 5.41, residual support = 177.7: O T HG13 ILE 38 - HB ILE 38 25.000% * 97.4812% (0.98 10.0 10.00 5.52 181.97) = 97.481% kept HB3 LYS+ 60 - HB ILE 38 25.000% * 2.4141% (0.34 1.0 1.00 1.42 12.78) = 2.414% kept HB3 ASN 74 - HB ILE 38 25.000% * 0.0563% (0.56 1.0 1.00 0.02 0.02) = 0.056% HB2 LEU 63 - HB ILE 38 25.000% * 0.0484% (0.49 1.0 1.00 0.02 0.84) = 0.048% Peak 2036 (1.12, 2.04, 38.55 ppm): 6 chemical-shift based assignments, quality = 0.908, support = 6.0, residual support = 179.4: O T QG2 ILE 38 - HB ILE 38 16.667% * 98.6098% (0.92 10.0 10.00 6.09 181.97) = 98.610% kept HG3 ARG+ 88 - HB ILE 38 16.667% * 0.7944% (0.52 1.0 1.00 0.28 0.37) = 0.794% HG13 ILE 95 - HB ILE 38 16.667% * 0.4121% (0.99 1.0 1.00 0.08 0.02) = 0.412% HG13 ILE 14 - HB ILE 38 16.667% * 0.0816% (0.76 1.0 1.00 0.02 0.15) = 0.082% HG12 ILE 24 - HB ILE 38 16.667% * 0.0691% (0.65 1.0 1.00 0.02 0.02) = 0.069% QG2 VAL 65 - HB ILE 38 16.667% * 0.0330% (0.31 1.0 1.00 0.02 0.11) = 0.033% Peak 2037 (0.99, 2.04, 38.55 ppm): 6 chemical-shift based assignments, quality = 0.956, support = 4.29, residual support = 124.3: O T QD1 ILE 38 - HB ILE 38 16.667% * 67.9793% (0.94 10.0 10.00 5.95 181.97) = 67.979% kept T QG1 VAL 40 - HB ILE 38 16.667% * 25.3127% (1.00 1.0 10.00 0.70 1.07) = 25.313% kept QG2 THR 64 - HB ILE 38 16.667% * 4.1888% (0.89 1.0 1.00 1.30 6.58) = 4.189% kept HG LEU 76 - HB ILE 38 16.667% * 2.4602% (1.00 1.0 1.00 0.68 0.02) = 2.460% kept QG2 ILE 85 - HB ILE 38 16.667% * 0.0465% (0.65 1.0 1.00 0.02 0.02) = 0.046% QG2 THR 91 - HB ILE 38 16.667% * 0.0126% (0.17 1.0 1.00 0.02 0.24) = 0.013% Peak 2038 (0.99, 1.13, 59.67 ppm): 6 chemical-shift based assignments, quality = 0.937, support = 4.53, residual support = 107.3: QD1 ILE 38 - QG2 ILE 38 16.667% * 58.0598% (0.94 1.00 6.37 181.97) = 58.060% kept QG2 THR 64 - QG2 ILE 38 16.667% * 24.3700% (0.89 1.00 2.82 6.58) = 24.370% kept HG LEU 76 - QG2 ILE 38 16.667% * 8.2031% (1.00 1.00 0.85 0.02) = 8.203% kept QG1 VAL 40 - QG2 ILE 38 16.667% * 8.0875% (1.00 1.00 0.84 1.07) = 8.088% kept T QG2 ILE 85 - QG2 ILE 38 16.667% * 1.2459% (0.65 10.00 0.02 0.02) = 1.246% kept QG2 THR 91 - QG2 ILE 38 16.667% * 0.0337% (0.17 1.00 0.02 0.24) = 0.034% Peak 2039 (2.31, 4.35, 62.91 ppm): 3 chemical-shift based assignments, quality = 0.467, support = 2.49, residual support = 12.2: T HB2 PRO 33 - HA ILE 38 33.333% * 84.6190% (0.37 10.00 2.69 14.12) = 84.619% kept QG GLU- 59 - HA ILE 38 33.333% * 15.3183% (0.98 1.00 1.39 1.76) = 15.318% kept QG GLU- 16 - HA ILE 38 33.333% * 0.0627% (0.28 1.00 0.02 0.02) = 0.063% Peak 2040 (2.03, 4.35, 62.91 ppm): 7 chemical-shift based assignments, quality = 0.945, support = 4.16, residual support = 92.0: T HG2 PRO 33 - HA ILE 38 14.286% * 49.2789% (1.00 1.0 10.00 2.68 14.12) = 49.279% kept O T HB ILE 38 - HA ILE 38 14.286% * 46.7195% (0.94 10.0 10.00 6.00 181.97) = 46.720% kept HG3 MET 54 - HA ILE 38 14.286% * 2.3547% (0.56 1.0 1.00 1.68 0.12) = 2.355% kept HB3 MET 1 - HA ILE 38 14.286% * 0.7869% (0.34 1.0 1.00 0.93 0.20) = 0.787% HB2 ARG+ 53 - HA ILE 38 14.286% * 0.4722% (0.83 1.0 1.00 0.23 0.22) = 0.472% T QG PRO 12 - HA ILE 38 14.286% * 0.3393% (0.69 1.0 10.00 0.02 0.02) = 0.339% HB VAL 52 - HA ILE 38 14.286% * 0.0484% (0.98 1.0 1.00 0.02 0.02) = 0.048% Peak 2041 (1.73, 4.35, 62.91 ppm): 9 chemical-shift based assignments, quality = 0.968, support = 5.79, residual support = 175.3: O T HG12 ILE 38 - HA ILE 38 11.111% * 96.2368% (1.00 10.0 10.00 6.00 181.97) = 96.237% kept T QD LYS+ 60 - HA ILE 38 11.111% * 1.6479% (0.17 1.0 10.00 0.20 12.78) = 1.648% kept QB GLU- 30 - HA ILE 38 11.111% * 1.2783% (0.37 1.0 1.00 0.71 0.02) = 1.278% kept T HB ILE 14 - HA ILE 38 11.111% * 0.5837% (0.61 1.0 10.00 0.02 0.15) = 0.584% HB2 ARG+ 48 - HA ILE 38 11.111% * 0.0943% (0.98 1.0 1.00 0.02 0.02) = 0.094% HB2 GLU- 23 - HA ILE 38 11.111% * 0.0623% (0.65 1.0 1.00 0.02 0.02) = 0.062% HB3 PRO 25 - HA ILE 38 11.111% * 0.0623% (0.65 1.0 1.00 0.02 0.02) = 0.062% HG LEU 26 - HA ILE 38 11.111% * 0.0214% (0.22 1.0 1.00 0.02 0.02) = 0.021% HB2 LYS+ 55 - HA ILE 38 11.111% * 0.0130% (0.14 1.0 1.00 0.02 0.88) = 0.013% Peak 2042 (1.42, 4.35, 62.91 ppm): 5 chemical-shift based assignments, quality = 0.958, support = 5.66, residual support = 175.5: O T HG13 ILE 38 - HA ILE 38 20.000% * 96.2633% (0.98 10.0 10.00 5.84 181.97) = 96.263% kept HB3 LYS+ 60 - HA ILE 38 20.000% * 2.4299% (0.56 1.0 1.00 0.87 12.78) = 2.430% kept QB ALA 2 - HA ILE 38 20.000% * 1.2460% (0.20 1.0 1.00 1.28 0.41) = 1.246% kept HB3 ASN 74 - HA ILE 38 20.000% * 0.0335% (0.34 1.0 1.00 0.02 0.02) = 0.033% HB2 LEU 63 - HA ILE 38 20.000% * 0.0273% (0.28 1.0 1.00 0.02 0.84) = 0.027% Peak 2043 (0.99, 4.35, 62.91 ppm): 6 chemical-shift based assignments, quality = 0.94, support = 5.22, residual support = 157.9: T QD1 ILE 38 - HA ILE 38 16.667% * 86.5604% (0.94 10.00 5.88 181.97) = 86.560% kept QG2 THR 64 - HA ILE 38 16.667% * 5.2520% (0.89 1.00 1.28 6.58) = 5.252% kept HG LEU 76 - HA ILE 38 16.667% * 4.4307% (1.00 1.00 0.97 0.02) = 4.431% kept QG1 VAL 40 - HA ILE 38 16.667% * 3.1490% (1.00 1.00 0.69 1.07) = 3.149% kept T QG2 ILE 85 - HA ILE 38 16.667% * 0.5920% (0.65 10.00 0.02 0.02) = 0.592% QG2 THR 91 - HA ILE 38 16.667% * 0.0160% (0.17 1.00 0.02 0.24) = 0.016% Peak 2044 (1.42, 1.73, 27.95 ppm): 10 chemical-shift based assignments, quality = 0.932, support = 5.47, residual support = 170.8: O T HG13 ILE 38 - HG12 ILE 38 10.000% * 92.7926% (0.98 10.0 10.00 5.75 181.97) = 92.793% kept HB3 LYS+ 60 - HG12 ILE 38 10.000% * 4.1759% (0.56 1.0 1.00 1.56 12.78) = 4.176% kept O HB3 LYS+ 60 - QD LYS+ 60 10.000% * 2.2314% (0.02 10.0 1.00 3.34 62.55) = 2.231% kept T HG13 ILE 38 - QD LYS+ 60 10.000% * 0.7195% (0.04 1.0 10.00 0.37 12.78) = 0.720% HB3 ASN 74 - HG12 ILE 38 10.000% * 0.0323% (0.34 1.0 1.00 0.02 0.02) = 0.032% HB2 LEU 63 - HG12 ILE 38 10.000% * 0.0263% (0.28 1.0 1.00 0.02 0.84) = 0.026% QB ALA 2 - HG12 ILE 38 10.000% * 0.0187% (0.20 1.0 1.00 0.02 0.41) = 0.019% HB3 ASN 74 - QD LYS+ 60 10.000% * 0.0013% (0.01 1.0 1.00 0.02 0.02) = 0.001% HB2 LEU 63 - QD LYS+ 60 10.000% * 0.0011% (0.01 1.0 1.00 0.02 0.78) = 0.001% QB ALA 2 - QD LYS+ 60 10.000% * 0.0008% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 2045 (1.12, 1.73, 27.95 ppm): 12 chemical-shift based assignments, quality = 0.858, support = 5.52, residual support = 159.7: O T QG2 ILE 38 - HG12 ILE 38 8.333% * 87.7631% (0.92 10.0 10.00 6.22 181.97) = 87.763% kept T HG3 ARG+ 88 - HG12 ILE 38 8.333% * 8.0035% (0.52 1.0 10.00 0.32 0.37) = 8.004% kept QG2 VAL 65 - HG12 ILE 38 8.333% * 2.4866% (0.31 1.0 1.00 1.69 0.11) = 2.487% kept T HG13 ILE 95 - HG12 ILE 38 8.333% * 0.9423% (0.99 1.0 10.00 0.02 0.02) = 0.942% T HG13 ILE 14 - HG12 ILE 38 8.333% * 0.7266% (0.76 1.0 10.00 0.02 0.15) = 0.727% HG12 ILE 24 - HG12 ILE 38 8.333% * 0.0615% (0.65 1.0 1.00 0.02 0.02) = 0.062% HG13 ILE 95 - QD LYS+ 60 8.333% * 0.0039% (0.04 1.0 1.00 0.02 0.02) = 0.004% QG2 ILE 38 - QD LYS+ 60 8.333% * 0.0037% (0.04 1.0 1.00 0.02 12.78) = 0.004% HG13 ILE 14 - QD LYS+ 60 8.333% * 0.0030% (0.03 1.0 1.00 0.02 9.23) = 0.003% HG12 ILE 24 - QD LYS+ 60 8.333% * 0.0026% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG3 ARG+ 88 - QD LYS+ 60 8.333% * 0.0021% (0.02 1.0 1.00 0.02 0.02) = 0.002% QG2 VAL 65 - QD LYS+ 60 8.333% * 0.0012% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 2046 (0.99, 1.73, 27.95 ppm): 12 chemical-shift based assignments, quality = 0.929, support = 4.2, residual support = 115.9: O T QD1 ILE 38 - HG12 ILE 38 8.333% * 62.6257% (0.94 10.0 10.00 6.10 181.97) = 62.626% kept T QG2 THR 64 - HG12 ILE 38 8.333% * 29.4265% (0.89 1.0 10.00 0.99 6.58) = 29.427% kept QG1 VAL 40 - HG12 ILE 38 8.333% * 4.5632% (1.00 1.0 1.00 1.38 1.07) = 4.563% kept HG LEU 76 - HG12 ILE 38 8.333% * 2.8862% (1.00 1.0 1.00 0.87 0.02) = 2.886% kept T QG2 ILE 85 - HG12 ILE 38 8.333% * 0.4283% (0.65 1.0 10.00 0.02 0.02) = 0.428% T QD1 ILE 38 - QD LYS+ 60 8.333% * 0.0261% (0.04 1.0 10.00 0.02 12.78) = 0.026% T QG2 THR 64 - QD LYS+ 60 8.333% * 0.0247% (0.04 1.0 10.00 0.02 0.02) = 0.025% QG2 THR 91 - HG12 ILE 38 8.333% * 0.0116% (0.17 1.0 1.00 0.02 0.24) = 0.012% QG1 VAL 40 - QD LYS+ 60 8.333% * 0.0028% (0.04 1.0 1.00 0.02 0.02) = 0.003% HG LEU 76 - QD LYS+ 60 8.333% * 0.0028% (0.04 1.0 1.00 0.02 1.32) = 0.003% QG2 ILE 85 - QD LYS+ 60 8.333% * 0.0018% (0.03 1.0 1.00 0.02 0.52) = 0.002% QG2 THR 91 - QD LYS+ 60 8.333% * 0.0005% (0.01 1.0 1.00 0.02 0.02) = 0.000% Peak 2047 (2.03, 1.73, 27.95 ppm): 14 chemical-shift based assignments, quality = 0.939, support = 5.45, residual support = 161.8: O T HB ILE 38 - HG12 ILE 38 7.143% * 88.1709% (0.94 10.0 10.00 5.94 181.97) = 88.171% kept HG2 PRO 33 - HG12 ILE 38 7.143% * 9.5894% (1.00 1.0 1.00 2.06 14.12) = 9.589% kept HG3 MET 54 - HG12 ILE 38 7.143% * 1.9208% (0.56 1.0 1.00 0.73 0.12) = 1.921% kept HB VAL 52 - HG12 ILE 38 7.143% * 0.0914% (0.98 1.0 1.00 0.02 0.02) = 0.091% HB2 ARG+ 53 - HG12 ILE 38 7.143% * 0.0779% (0.83 1.0 1.00 0.02 0.22) = 0.078% QG PRO 12 - HG12 ILE 38 7.143% * 0.0640% (0.69 1.0 1.00 0.02 0.02) = 0.064% T HB ILE 38 - QD LYS+ 60 7.143% * 0.0367% (0.04 1.0 10.00 0.02 12.78) = 0.037% HB3 MET 1 - HG12 ILE 38 7.143% * 0.0318% (0.34 1.0 1.00 0.02 0.20) = 0.032% HG2 PRO 33 - QD LYS+ 60 7.143% * 0.0039% (0.04 1.0 1.00 0.02 1.87) = 0.004% HB VAL 52 - QD LYS+ 60 7.143% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB2 ARG+ 53 - QD LYS+ 60 7.143% * 0.0032% (0.03 1.0 1.00 0.02 0.02) = 0.003% QG PRO 12 - QD LYS+ 60 7.143% * 0.0027% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG3 MET 54 - QD LYS+ 60 7.143% * 0.0022% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB3 MET 1 - QD LYS+ 60 7.143% * 0.0013% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 2048 (1.12, 1.43, 27.95 ppm): 6 chemical-shift based assignments, quality = 0.918, support = 5.8, residual support = 173.3: O T QG2 ILE 38 - HG13 ILE 38 16.667% * 95.2319% (0.92 10.0 10.00 6.05 181.97) = 95.232% kept HG13 ILE 95 - HG13 ILE 38 16.667% * 4.0838% (0.99 1.0 1.00 0.80 0.02) = 4.084% kept HG3 ARG+ 88 - HG13 ILE 38 16.667% * 0.5068% (0.52 1.0 1.00 0.19 0.37) = 0.507% HG13 ILE 14 - HG13 ILE 38 16.667% * 0.0788% (0.76 1.0 1.00 0.02 0.15) = 0.079% HG12 ILE 24 - HG13 ILE 38 16.667% * 0.0667% (0.65 1.0 1.00 0.02 0.02) = 0.067% QG2 VAL 65 - HG13 ILE 38 16.667% * 0.0318% (0.31 1.0 1.00 0.02 0.11) = 0.032% Peak 2049 (0.99, 1.43, 27.95 ppm): 6 chemical-shift based assignments, quality = 0.944, support = 5.27, residual support = 160.9: O T QD1 ILE 38 - HG13 ILE 38 16.667% * 88.1754% (0.94 10.0 10.00 5.84 181.97) = 88.175% kept QG2 THR 64 - HG13 ILE 38 16.667% * 5.7372% (0.89 1.0 1.00 1.37 6.58) = 5.737% kept HG LEU 76 - HG13 ILE 38 16.667% * 3.2834% (1.00 1.0 1.00 0.70 0.02) = 3.283% kept QG1 VAL 40 - HG13 ILE 38 16.667% * 2.7273% (1.00 1.0 1.00 0.59 1.07) = 2.727% kept QG2 ILE 85 - HG13 ILE 38 16.667% * 0.0603% (0.65 1.0 1.00 0.02 0.02) = 0.060% QG2 THR 91 - HG13 ILE 38 16.667% * 0.0163% (0.17 1.0 1.00 0.02 0.24) = 0.016% Peak 2050 (1.73, 1.43, 27.95 ppm): 9 chemical-shift based assignments, quality = 0.904, support = 5.64, residual support = 178.5: O T HG12 ILE 38 - HG13 ILE 38 11.111% * 98.1143% (0.92 10.0 10.00 5.75 181.97) = 98.114% kept T QB GLU- 30 - HG13 ILE 38 11.111% * 0.6447% (0.61 1.0 10.00 0.02 0.02) = 0.645% HB2 GLU- 23 - HG13 ILE 38 11.111% * 0.4985% (0.87 1.0 1.00 0.11 0.02) = 0.498% T QD LYS+ 60 - HG13 ILE 38 11.111% * 0.3625% (0.34 1.0 10.00 0.02 12.78) = 0.363% T HD3 LYS+ 55 - HG13 ILE 38 11.111% * 0.1640% (0.15 1.0 10.00 0.02 0.88) = 0.164% HB2 ARG+ 48 - HG13 ILE 38 11.111% * 0.0888% (0.83 1.0 1.00 0.02 0.02) = 0.089% HB3 PRO 25 - HG13 ILE 38 11.111% * 0.0437% (0.41 1.0 1.00 0.02 0.02) = 0.044% HG LEU 26 - HG13 ILE 38 11.111% * 0.0437% (0.41 1.0 1.00 0.02 0.02) = 0.044% HB ILE 14 - HG13 ILE 38 11.111% * 0.0399% (0.37 1.0 1.00 0.02 0.15) = 0.040% Peak 2051 (2.03, 1.43, 27.95 ppm): 8 chemical-shift based assignments, quality = 0.845, support = 3.48, residual support = 86.3: T HG2 PRO 33 - HG13 ILE 38 12.500% * 53.5460% (0.94 1.0 10.00 2.03 14.12) = 53.546% kept O T HB ILE 38 - HG13 ILE 38 12.500% * 43.2591% (0.76 10.0 10.00 5.52 181.97) = 43.259% kept HG3 MET 54 - HG13 ILE 38 12.500% * 1.2183% (0.80 1.0 1.00 0.54 0.12) = 1.218% kept HB3 MET 1 - HG13 ILE 38 12.500% * 0.9713% (0.56 1.0 1.00 0.61 0.20) = 0.971% HB2 LYS+ 20 - HG13 ILE 38 12.500% * 0.6487% (0.20 1.0 1.00 1.16 0.23) = 0.649% T QG PRO 12 - HG13 ILE 38 12.500% * 0.2538% (0.45 1.0 10.00 0.02 0.02) = 0.254% HB2 ARG+ 53 - HG13 ILE 38 12.500% * 0.0555% (0.98 1.0 1.00 0.02 0.22) = 0.055% HB VAL 52 - HG13 ILE 38 12.500% * 0.0473% (0.83 1.0 1.00 0.02 0.02) = 0.047% Peak 2052 (1.43, 1.00, 54.49 ppm): 4 chemical-shift based assignments, quality = 0.952, support = 5.63, residual support = 174.0: O T HG13 ILE 38 - QD1 ILE 38 25.000% * 95.4432% (0.98 10.0 10.00 5.84 181.97) = 95.443% kept HB3 LYS+ 60 - QD1 ILE 38 25.000% * 2.2656% (0.34 1.0 1.00 1.36 12.78) = 2.266% kept HB2 LEU 63 - QD1 ILE 38 25.000% * 2.2361% (0.49 1.0 1.00 0.94 0.84) = 2.236% kept HB3 ASN 74 - QD1 ILE 38 25.000% * 0.0551% (0.56 1.0 1.00 0.02 0.02) = 0.055% Peak 2053 (1.37, 1.00, 54.49 ppm): 5 chemical-shift based assignments, quality = 0.713, support = 0.819, residual support = 0.486: QG LYS+ 55 - QD1 ILE 38 20.000% * 36.6602% (0.65 1.17 0.88) = 36.660% kept HG2 ARG+ 88 - QD1 ILE 38 20.000% * 26.7300% (1.00 0.55 0.37) = 26.730% kept HG2 LYS+ 17 - QD1 ILE 38 20.000% * 15.2510% (0.98 0.32 0.02) = 15.251% kept QB ALA 2 - QD1 ILE 38 20.000% * 12.4108% (0.37 0.68 0.41) = 12.411% kept QB ALA 34 - QD1 ILE 38 20.000% * 8.9481% (0.15 1.20 0.11) = 8.948% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2054 (1.72, 1.00, 54.49 ppm): 9 chemical-shift based assignments, quality = 0.698, support = 5.24, residual support = 155.8: O T HG12 ILE 38 - QD1 ILE 38 11.111% * 84.7890% (0.72 10.0 10.00 6.10 181.97) = 84.789% kept T QD LYS+ 60 - QD1 ILE 38 11.111% * 11.4646% (0.56 1.0 10.00 0.35 12.78) = 11.465% kept HD3 LYS+ 55 - QD1 ILE 38 11.111% * 1.8547% (0.31 1.0 1.00 1.03 0.88) = 1.855% kept QB GLU- 30 - QD1 ILE 38 11.111% * 1.5804% (0.83 1.0 1.00 0.32 0.02) = 1.580% kept HB2 GLU- 23 - QD1 ILE 38 11.111% * 0.1157% (0.99 1.0 1.00 0.02 0.02) = 0.116% HG LEU 26 - QD1 ILE 38 11.111% * 0.0755% (0.65 1.0 1.00 0.02 0.02) = 0.076% HB2 ARG+ 48 - QD1 ILE 38 11.111% * 0.0708% (0.61 1.0 1.00 0.02 0.02) = 0.071% HB3 PRO 25 - QD1 ILE 38 11.111% * 0.0260% (0.22 1.0 1.00 0.02 0.02) = 0.026% HB ILE 14 - QD1 ILE 38 11.111% * 0.0231% (0.20 1.0 1.00 0.02 0.15) = 0.023% Peak 2055 (2.03, 1.00, 54.49 ppm): 8 chemical-shift based assignments, quality = 0.839, support = 3.61, residual support = 90.9: T HG2 PRO 33 - QD1 ILE 38 12.500% * 47.9352% (0.94 1.0 10.00 1.68 14.12) = 47.935% kept O T HB ILE 38 - QD1 ILE 38 12.500% * 46.2020% (0.76 10.0 10.00 5.95 181.97) = 46.202% kept HG3 MET 54 - QD1 ILE 38 12.500% * 2.9224% (0.80 1.0 1.00 1.21 0.12) = 2.922% kept HB3 MET 1 - QD1 ILE 38 12.500% * 1.8440% (0.56 1.0 1.00 1.08 0.20) = 1.844% kept HB2 LYS+ 20 - QD1 ILE 38 12.500% * 0.7156% (0.20 1.0 1.00 1.20 0.23) = 0.716% T QG PRO 12 - QD1 ILE 38 12.500% * 0.2710% (0.45 1.0 10.00 0.02 0.02) = 0.271% HB2 ARG+ 53 - QD1 ILE 38 12.500% * 0.0593% (0.98 1.0 1.00 0.02 0.22) = 0.059% HB VAL 52 - QD1 ILE 38 12.500% * 0.0505% (0.83 1.0 1.00 0.02 0.02) = 0.050% Peak 2056 (4.34, 1.00, 54.49 ppm): 7 chemical-shift based assignments, quality = 0.679, support = 5.76, residual support = 177.8: T HA ILE 38 - QD1 ILE 38 14.286% * 97.6995% (0.69 10.00 5.88 181.97) = 97.700% kept HA ALA 2 - QD1 ILE 38 14.286% * 1.8368% (0.52 1.00 0.49 0.41) = 1.837% kept HA ASP- 73 - QD1 ILE 38 14.286% * 0.1394% (0.98 1.00 0.02 0.02) = 0.139% HB THR 4 - QD1 ILE 38 14.286% * 0.1394% (0.98 1.00 0.02 0.02) = 0.139% HA THR 4 - QD1 ILE 38 14.286% * 0.1234% (0.87 1.00 0.02 0.02) = 0.123% HA ILE 14 - QD1 ILE 38 14.286% * 0.0395% (0.28 1.00 0.02 0.15) = 0.040% HA PHE 28 - QD1 ILE 38 14.286% * 0.0219% (0.15 1.00 0.02 0.02) = 0.022% Peak 2057 (4.34, 1.43, 27.95 ppm): 7 chemical-shift based assignments, quality = 0.682, support = 5.81, residual support = 181.0: O T HA ILE 38 - HG13 ILE 38 14.286% * 99.4518% (0.69 10.0 10.00 5.84 181.97) = 99.452% kept HA ASP- 73 - HG13 ILE 38 14.286% * 0.1419% (0.98 1.0 1.00 0.02 0.02) = 0.142% HB THR 4 - HG13 ILE 38 14.286% * 0.1419% (0.98 1.0 1.00 0.02 0.02) = 0.142% HA THR 4 - HG13 ILE 38 14.286% * 0.1256% (0.87 1.0 1.00 0.02 0.02) = 0.126% HA ALA 2 - HG13 ILE 38 14.286% * 0.0762% (0.52 1.0 1.00 0.02 0.41) = 0.076% HA ILE 14 - HG13 ILE 38 14.286% * 0.0403% (0.28 1.0 1.00 0.02 0.15) = 0.040% HA PHE 28 - HG13 ILE 38 14.286% * 0.0223% (0.15 1.0 1.00 0.02 0.02) = 0.022% Peak 2058 (4.34, 1.73, 27.95 ppm): 14 chemical-shift based assignments, quality = 0.673, support = 5.89, residual support = 178.6: O T HA ILE 38 - HG12 ILE 38 7.143% * 98.1386% (0.69 10.0 10.00 6.00 181.97) = 98.139% kept HA PHE 28 - HG12 ILE 38 7.143% * 0.9216% (0.15 1.0 1.00 0.84 0.02) = 0.922% T HA ILE 14 - HG12 ILE 38 7.143% * 0.3972% (0.28 1.0 10.00 0.02 0.15) = 0.397% HB THR 4 - HG12 ILE 38 7.143% * 0.1400% (0.98 1.0 1.00 0.02 0.02) = 0.140% HA ASP- 73 - HG12 ILE 38 7.143% * 0.1400% (0.98 1.0 1.00 0.02 0.02) = 0.140% HA THR 4 - HG12 ILE 38 7.143% * 0.1239% (0.87 1.0 1.00 0.02 0.02) = 0.124% HA ALA 2 - HG12 ILE 38 7.143% * 0.0752% (0.52 1.0 1.00 0.02 0.41) = 0.075% T HA ILE 38 - QD LYS+ 60 7.143% * 0.0409% (0.03 1.0 10.00 0.02 12.78) = 0.041% HB THR 4 - QD LYS+ 60 7.143% * 0.0058% (0.04 1.0 1.00 0.02 0.02) = 0.006% HA ASP- 73 - QD LYS+ 60 7.143% * 0.0058% (0.04 1.0 1.00 0.02 0.10) = 0.006% HA THR 4 - QD LYS+ 60 7.143% * 0.0052% (0.04 1.0 1.00 0.02 0.02) = 0.005% HA ALA 2 - QD LYS+ 60 7.143% * 0.0031% (0.02 1.0 1.00 0.02 0.02) = 0.003% HA ILE 14 - QD LYS+ 60 7.143% * 0.0017% (0.01 1.0 1.00 0.02 9.23) = 0.002% HA PHE 28 - QD LYS+ 60 7.143% * 0.0009% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 2059 (1.33, 1.13, 59.67 ppm): 5 chemical-shift based assignments, quality = 0.762, support = 1.35, residual support = 1.36: T HG LEU 63 - QG2 ILE 38 20.000% * 59.4842% (0.72 10.00 1.63 0.84) = 59.484% kept T HG12 ILE 14 - QG2 ILE 38 20.000% * 32.0401% (0.89 10.00 0.71 0.15) = 32.040% kept QG LYS+ 60 - QG2 ILE 38 20.000% * 6.3913% (0.56 1.00 2.25 12.78) = 6.391% kept QB ALA 34 - QG2 ILE 38 20.000% * 1.7704% (0.49 1.00 0.72 0.11) = 1.770% kept QG2 THR 51 - QG2 ILE 38 20.000% * 0.3140% (0.22 1.00 0.28 0.02) = 0.314% Peak 2060 (1.43, 1.13, 59.67 ppm): 4 chemical-shift based assignments, quality = 0.939, support = 5.79, residual support = 170.5: O T HG13 ILE 38 - QG2 ILE 38 25.000% * 93.3578% (0.98 10.0 10.00 6.05 181.97) = 93.358% kept HB3 LYS+ 60 - QG2 ILE 38 25.000% * 4.2985% (0.34 1.0 1.00 2.65 12.78) = 4.299% kept HB2 LEU 63 - QG2 ILE 38 25.000% * 2.2898% (0.49 1.0 1.00 0.99 0.84) = 2.290% kept HB3 ASN 74 - QG2 ILE 38 25.000% * 0.0539% (0.56 1.0 1.00 0.02 0.02) = 0.054% Peak 2061 (1.74, 1.13, 59.67 ppm): 8 chemical-shift based assignments, quality = 0.893, support = 5.04, residual support = 143.9: O T HG12 ILE 38 - QG2 ILE 38 12.500% * 79.0418% (0.92 10.0 10.00 6.22 181.97) = 79.042% kept T HB ILE 14 - QG2 ILE 38 12.500% * 19.4922% (0.83 1.0 10.00 0.55 0.15) = 19.492% kept HB VAL 61 - QG2 ILE 38 12.500% * 1.2319% (0.22 1.0 1.00 1.29 1.02) = 1.232% kept HB2 ARG+ 48 - QG2 ILE 38 12.500% * 0.0839% (0.98 1.0 1.00 0.02 0.02) = 0.084% HB3 PRO 25 - QG2 ILE 38 12.500% * 0.0743% (0.87 1.0 1.00 0.02 0.02) = 0.074% HB2 GLU- 23 - QG2 ILE 38 12.500% * 0.0352% (0.41 1.0 1.00 0.02 0.02) = 0.035% HB2 LYS+ 55 - QG2 ILE 38 12.500% * 0.0238% (0.28 1.0 1.00 0.02 0.88) = 0.024% QB GLU- 30 - QG2 ILE 38 12.500% * 0.0169% (0.20 1.0 1.00 0.02 0.02) = 0.017% Peak 2062 (2.03, 1.13, 59.67 ppm): 7 chemical-shift based assignments, quality = 0.931, support = 5.41, residual support = 157.9: O T HB ILE 38 - QG2 ILE 38 14.286% * 86.2783% (0.94 10.0 10.00 6.09 181.97) = 86.278% kept HG2 PRO 33 - QG2 ILE 38 14.286% * 6.5009% (1.00 1.0 1.00 1.43 14.12) = 6.501% kept HG3 MET 54 - QG2 ILE 38 14.286% * 3.1956% (0.56 1.0 1.00 1.24 0.12) = 3.196% kept HB2 ARG+ 53 - QG2 ILE 38 14.286% * 2.8569% (0.83 1.0 1.00 0.75 0.22) = 2.857% kept HB VAL 52 - QG2 ILE 38 14.286% * 1.0745% (0.98 1.0 1.00 0.24 0.02) = 1.075% kept QG PRO 12 - QG2 ILE 38 14.286% * 0.0627% (0.69 1.0 1.00 0.02 0.02) = 0.063% HB3 MET 1 - QG2 ILE 38 14.286% * 0.0311% (0.34 1.0 1.00 0.02 0.20) = 0.031% Peak 2063 (3.27, 1.13, 59.67 ppm): 1 chemical-shift based assignment, quality = 0.135, support = 0.02, residual support = 0.02: HB2 TYR 86 - QG2 ILE 38 100.000% *100.0000% (0.14 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2064 (3.38, 1.13, 59.67 ppm): 1 chemical-shift based assignment, quality = 0.645, support = 0.223, residual support = 0.223: T QD ARG+ 53 - QG2 ILE 38 100.000% *100.0000% (0.65 10.00 0.22 0.22) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2065 (4.34, 1.13, 59.67 ppm): 7 chemical-shift based assignments, quality = 0.838, support = 5.5, residual support = 157.6: O HA ILE 38 - QG2 ILE 38 14.286% * 86.5828% (0.89 10.0 1.00 6.27 181.97) = 86.583% kept T HA ILE 14 - QG2 ILE 38 14.286% * 13.0949% (0.49 1.0 10.00 0.56 0.15) = 13.095% kept HA THR 4 - QG2 ILE 38 14.286% * 0.0957% (0.99 1.0 1.00 0.02 0.02) = 0.096% HB THR 4 - QG2 ILE 38 14.286% * 0.0946% (0.98 1.0 1.00 0.02 0.02) = 0.095% HA ASP- 73 - QG2 ILE 38 14.286% * 0.0806% (0.83 1.0 1.00 0.02 0.02) = 0.081% HA ALA 2 - QG2 ILE 38 14.286% * 0.0298% (0.31 1.0 1.00 0.02 0.41) = 0.030% HA PRO 33 - QG2 ILE 38 14.286% * 0.0215% (0.22 1.0 1.00 0.02 14.12) = 0.021% Peak 2066 (4.78, 1.13, 59.67 ppm): 4 chemical-shift based assignments, quality = 0.95, support = 1.98, residual support = 6.25: HA THR 64 - QG2 ILE 38 25.000% * 94.3789% (1.00 2.07 6.58) = 94.379% kept HA LYS+ 55 - QG2 ILE 38 25.000% * 4.0663% (0.20 0.45 0.88) = 4.066% kept HA ILE 85 - QG2 ILE 38 25.000% * 1.3744% (0.15 0.20 0.02) = 1.374% kept HA TYR 81 - QG2 ILE 38 25.000% * 0.1805% (0.20 0.02 0.02) = 0.180% Peak 2067 (5.25, 1.13, 59.67 ppm): 3 chemical-shift based assignments, quality = 0.702, support = 3.51, residual support = 48.0: HA THR 39 - QG2 ILE 38 33.333% * 82.2897% (0.72 4.08 58.11) = 82.290% kept HA PHE 62 - QG2 ILE 38 33.333% * 9.8737% (0.28 1.28 0.98) = 9.874% kept HA ARG+ 90 - QG2 ILE 38 33.333% * 7.8366% (1.00 0.28 1.48) = 7.837% kept Peak 2068 (4.78, 1.00, 54.49 ppm): 4 chemical-shift based assignments, quality = 0.84, support = 1.31, residual support = 5.46: HA THR 64 - QD1 ILE 38 25.000% * 80.7366% (1.00 1.33 6.58) = 80.737% kept HA LYS+ 55 - QD1 ILE 38 25.000% * 16.7889% (0.20 1.39 0.88) = 16.789% kept HA ILE 85 - QD1 ILE 38 25.000% * 2.2330% (0.15 0.24 0.02) = 2.233% kept HA TYR 81 - QD1 ILE 38 25.000% * 0.2415% (0.20 0.02 0.02) = 0.242% Peak 2069 (5.28, 1.00, 54.49 ppm): 5 chemical-shift based assignments, quality = 0.81, support = 1.71, residual support = 9.25: T HA PHE 62 - QD1 ILE 38 20.000% * 79.2999% (0.92 10.00 1.30 0.98) = 79.300% kept HA THR 39 - QD1 ILE 38 20.000% * 14.4318% (0.49 1.00 4.48 58.11) = 14.432% kept T HA ARG+ 90 - QD1 ILE 38 20.000% * 6.0133% (0.15 10.00 0.59 1.48) = 6.013% kept HA VAL 52 - QD1 ILE 38 20.000% * 0.1297% (0.98 1.00 0.02 0.02) = 0.130% HA TYR 93 - QD1 ILE 38 20.000% * 0.1252% (0.94 1.00 0.02 0.02) = 0.125% Peak 2070 (4.34, 2.04, 38.55 ppm): 7 chemical-shift based assignments, quality = 0.884, support = 5.92, residual support = 179.4: O T HA ILE 38 - HB ILE 38 14.286% * 98.4880% (0.89 10.0 10.00 6.00 181.97) = 98.488% kept HA PRO 33 - HB ILE 38 14.286% * 1.1164% (0.22 1.0 1.00 0.91 14.12) = 1.116% kept HA THR 4 - HB ILE 38 14.286% * 0.1088% (0.99 1.0 1.00 0.02 0.02) = 0.109% HB THR 4 - HB ILE 38 14.286% * 0.1076% (0.98 1.0 1.00 0.02 0.02) = 0.108% HA ASP- 73 - HB ILE 38 14.286% * 0.0917% (0.83 1.0 1.00 0.02 0.02) = 0.092% HA ILE 14 - HB ILE 38 14.286% * 0.0535% (0.49 1.0 1.00 0.02 0.15) = 0.053% HA ALA 2 - HB ILE 38 14.286% * 0.0339% (0.31 1.0 1.00 0.02 0.41) = 0.034% Peak 2071 (1.22, 4.13, 72.80 ppm): 8 chemical-shift based assignments, quality = 0.264, support = 2.05, residual support = 26.8: O T QG2 THR 39 - HB THR 39 12.500% * 85.4729% (0.22 10.0 10.00 2.34 30.99) = 85.473% kept QE MET 54 - HB THR 39 12.500% * 6.4681% (0.55 1.0 1.00 0.60 4.69) = 6.468% kept HB3 LYS+ 56 - HB THR 39 12.500% * 3.8735% (0.63 1.0 1.00 0.31 0.02) = 3.873% kept QG1 VAL 65 - HB THR 39 12.500% * 1.4826% (0.93 1.0 1.00 0.08 0.69) = 1.483% kept HB3 LEU 82 - HB THR 39 12.500% * 1.2658% (0.27 1.0 1.00 0.24 0.02) = 1.266% kept T QG2 THR 4 - HB THR 39 12.500% * 0.7598% (0.19 1.0 10.00 0.02 0.02) = 0.760% HB3 LEU 42 - HB THR 39 12.500% * 0.3839% (0.98 1.0 1.00 0.02 0.02) = 0.384% HG3 GLU- 23 - HB THR 39 12.500% * 0.2934% (0.75 1.0 1.00 0.02 0.02) = 0.293% Peak 2072 (0.95, 5.26, 59.14 ppm): 6 chemical-shift based assignments, quality = 0.89, support = 1.16, residual support = 1.09: T QG2 VAL 52 - HA THR 39 16.667% * 93.4580% (0.89 10.00 1.21 1.14) = 93.458% kept HB3 ARG+ 48 - HA THR 39 16.667% * 5.0070% (0.94 1.00 0.61 0.50) = 5.007% kept QG2 ILE 14 - HA THR 39 16.667% * 1.2637% (0.52 1.00 0.28 0.02) = 1.264% kept QD2 LEU 82 - HA THR 39 16.667% * 0.1255% (0.72 1.00 0.02 0.02) = 0.125% HG3 LYS+ 56 - HA THR 39 16.667% * 0.0978% (0.56 1.00 0.02 0.02) = 0.098% QD1 LEU 26 - HA THR 39 16.667% * 0.0480% (0.28 1.00 0.02 0.02) = 0.048% Peak 2073 (1.18, 5.26, 59.14 ppm): 6 chemical-shift based assignments, quality = 0.554, support = 3.24, residual support = 28.9: O T QG2 THR 39 - HA THR 39 16.667% * 92.9261% (0.56 10.0 10.00 3.43 30.99) = 92.926% kept QE MET 54 - HA THR 39 16.667% * 2.6867% (0.22 1.0 1.00 1.47 4.69) = 2.687% kept HD3 LYS+ 56 - HA THR 39 16.667% * 1.8837% (0.96 1.0 1.00 0.24 0.02) = 1.884% kept HG3 ARG+ 48 - HA THR 39 16.667% * 1.4150% (0.37 1.0 1.00 0.46 0.50) = 1.415% kept T QG2 THR 4 - HA THR 39 16.667% * 0.9955% (0.61 1.0 10.00 0.02 0.02) = 0.996% HB3 LEU 43 - HA THR 39 16.667% * 0.0929% (0.56 1.0 1.00 0.02 0.02) = 0.093% Peak 2074 (9.16, 4.13, 72.80 ppm): 1 chemical-shift based assignment, quality = 0.273, support = 0.02, residual support = 0.708: HN TYR 81 - HB THR 39 100.000% *100.0000% (0.27 0.02 0.71) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2075 (8.11, 5.26, 59.14 ppm): 2 chemical-shift based assignments, quality = 0.623, support = 0.574, residual support = 0.477: HN ARG+ 48 - HA THR 39 50.000% * 94.7822% (0.65 0.60 0.50) = 94.782% kept HN LEU 22 - HA THR 39 50.000% * 5.2178% (0.20 0.11 0.02) = 5.218% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2076 (7.50, 5.26, 59.14 ppm): 3 chemical-shift based assignments, quality = 0.586, support = 5.36, residual support = 27.7: O HN THR 39 - HA THR 39 33.333% * 89.0220% (0.56 10.0 5.79 30.99) = 89.022% kept HN LYS+ 60 - HA THR 39 33.333% * 10.9244% (0.76 1.0 1.82 0.99) = 10.924% kept HN TYR 31 - HA THR 39 33.333% * 0.0536% (0.34 1.0 0.02 0.02) = 0.054% Peak 2077 (8.77, 5.26, 59.14 ppm): 2 chemical-shift based assignments, quality = 0.696, support = 1.07, residual support = 1.94: HN THR 64 - HA THR 39 50.000% * 53.0826% (0.61 1.26 1.26) = 53.083% kept HN ARG+ 53 - HA THR 39 50.000% * 46.9174% (0.80 0.84 2.71) = 46.917% kept Peak 2078 (9.14, 5.26, 59.14 ppm): 1 chemical-shift based assignment, quality = 0.154, support = 3.96, residual support = 17.4: O HN VAL 40 - HA THR 39 100.000% *100.0000% (0.15 10.0 3.96 17.36) = 100.000% kept Peak 2079 (7.00, 1.00, 54.49 ppm): 1 chemical-shift based assignment, quality = 0.565, support = 1.19, residual support = 1.48: HE ARG+ 90 - QD1 ILE 38 100.000% *100.0000% (0.56 1.19 1.48) = 100.000% kept Peak 2080 (7.51, 1.00, 54.49 ppm): 3 chemical-shift based assignments, quality = 0.417, support = 5.09, residual support = 39.1: HN THR 39 - QD1 ILE 38 33.333% * 58.0210% (0.34 6.56 58.11) = 58.021% kept HN LYS+ 60 - QD1 ILE 38 33.333% * 41.8882% (0.52 3.07 12.78) = 41.888% kept HN TYR 31 - QD1 ILE 38 33.333% * 0.0908% (0.17 0.02 0.02) = 0.091% Peak 2081 (8.20, 1.00, 54.49 ppm): 5 chemical-shift based assignments, quality = 0.739, support = 4.12, residual support = 109.9: HN ILE 38 - QD1 ILE 38 20.000% * 59.9045% (0.76 5.88 181.97) = 59.905% kept HN SER 21 - QD1 ILE 38 20.000% * 16.5852% (0.69 1.81 3.00) = 16.585% kept HN GLU- 6 - QD1 ILE 38 20.000% * 11.9168% (0.87 1.03 1.16) = 11.917% kept HN SER 19 - QD1 ILE 38 20.000% * 11.5269% (0.56 1.53 2.02) = 11.527% kept HN ILE 96 - QD1 ILE 38 20.000% * 0.0665% (0.25 0.02 0.02) = 0.067% Peak 2082 (8.83, 1.00, 54.49 ppm): 1 chemical-shift based assignment, quality = 0.685, support = 0.0816, residual support = 0.02: HN PHE 84 - QD1 ILE 38 100.000% *100.0000% (0.69 0.08 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2083 (7.51, 4.35, 62.91 ppm): 3 chemical-shift based assignments, quality = 0.461, support = 6.15, residual support = 46.3: O HN THR 39 - HA ILE 38 33.333% * 73.9298% (0.41 10.0 6.64 58.11) = 73.930% kept HN LYS+ 60 - HA ILE 38 33.333% * 26.0302% (0.61 1.0 4.77 12.78) = 26.030% kept HN TYR 31 - HA ILE 38 33.333% * 0.0400% (0.22 1.0 0.02 0.02) = 0.040% Peak 2084 (8.20, 4.35, 62.91 ppm): 5 chemical-shift based assignments, quality = 0.642, support = 4.88, residual support = 135.4: O HN ILE 38 - HA ILE 38 20.000% * 74.1368% (0.61 10.0 5.90 181.97) = 74.137% kept HN GLU- 6 - HA ILE 38 20.000% * 9.1546% (0.96 1.0 1.55 1.16) = 9.155% kept HN SER 19 - HA ILE 38 20.000% * 8.8051% (0.72 1.0 1.98 2.02) = 8.805% kept HN SER 21 - HA ILE 38 20.000% * 7.8577% (0.52 1.0 2.44 3.00) = 7.858% kept HN ILE 96 - HA ILE 38 20.000% * 0.0459% (0.37 1.0 0.02 0.02) = 0.046% Peak 2085 (7.51, 2.04, 38.55 ppm): 3 chemical-shift based assignments, quality = 0.498, support = 5.42, residual support = 37.6: HN THR 39 - HB ILE 38 33.333% * 54.6680% (0.41 6.77 58.11) = 54.668% kept HN LYS+ 60 - HB ILE 38 33.333% * 45.2446% (0.61 3.80 12.78) = 45.245% kept HN TYR 31 - HB ILE 38 33.333% * 0.0875% (0.22 0.02 0.02) = 0.087% Peak 2086 (8.20, 2.04, 38.55 ppm): 5 chemical-shift based assignments, quality = 0.641, support = 4.92, residual support = 138.7: O HN ILE 38 - HB ILE 38 20.000% * 75.9506% (0.61 10.0 5.91 181.97) = 75.951% kept HN GLU- 6 - HB ILE 38 20.000% * 9.7776% (0.96 1.0 1.62 1.16) = 9.778% kept HN SER 21 - HB ILE 38 20.000% * 7.7912% (0.52 1.0 2.37 3.00) = 7.791% kept HN SER 19 - HB ILE 38 20.000% * 6.4336% (0.72 1.0 1.42 2.02) = 6.434% kept HN ILE 96 - HB ILE 38 20.000% * 0.0470% (0.37 1.0 0.02 0.02) = 0.047% Peak 2087 (7.51, 1.13, 59.67 ppm): 2 chemical-shift based assignments, quality = 0.278, support = 5.98, residual support = 32.6: HN LYS+ 60 - QG2 ILE 38 50.000% * 56.3363% (0.34 5.22 12.78) = 56.336% kept HN THR 39 - QG2 ILE 38 50.000% * 43.6637% (0.20 6.97 58.11) = 43.664% kept Peak 2088 (8.19, 1.13, 59.67 ppm): 5 chemical-shift based assignments, quality = 0.802, support = 4.37, residual support = 114.1: HN ILE 38 - QG2 ILE 38 20.000% * 62.2140% (0.87 6.02 181.97) = 62.214% kept HN SER 21 - QG2 ILE 38 20.000% * 18.0569% (0.80 1.89 3.00) = 18.057% kept HN GLU- 6 - QG2 ILE 38 20.000% * 9.8806% (0.76 1.08 1.16) = 9.881% kept HN SER 19 - QG2 ILE 38 20.000% * 9.8067% (0.45 1.84 2.02) = 9.807% kept HN ILE 96 - QG2 ILE 38 20.000% * 0.0417% (0.17 0.02 0.02) = 0.042% Peak 2089 (8.75, 1.13, 59.67 ppm): 5 chemical-shift based assignments, quality = 0.781, support = 2.5, residual support = 6.28: HN THR 64 - QG2 ILE 38 20.000% * 95.4241% (0.80 2.62 6.58) = 95.424% kept HN PHE 13 - QG2 ILE 38 20.000% * 3.0031% (0.61 0.11 0.02) = 3.003% kept HN GLY 27 - QG2 ILE 38 20.000% * 0.6963% (0.76 0.02 0.02) = 0.696% HN MET 10 - QG2 ILE 38 20.000% * 0.6963% (0.76 0.02 0.02) = 0.696% HN LEU 82 - QG2 ILE 38 20.000% * 0.1803% (0.20 0.02 0.02) = 0.180% Peak 2090 (7.51, 1.73, 27.95 ppm): 4 chemical-shift based assignments, quality = 0.258, support = 5.17, residual support = 37.9: HN THR 39 - HG12 ILE 38 25.000% * 53.1287% (0.20 6.79 58.11) = 53.129% kept HN LYS+ 60 - HG12 ILE 38 25.000% * 44.8229% (0.34 3.32 12.78) = 44.823% kept HN LYS+ 60 - QD LYS+ 60 25.000% * 2.0418% (0.01 3.64 62.55) = 2.042% kept HN THR 39 - QD LYS+ 60 25.000% * 0.0065% (0.01 0.02 0.99) = 0.007% Peak 2091 (8.19, 1.73, 27.95 ppm): 10 chemical-shift based assignments, quality = 0.802, support = 4.28, residual support = 104.3: HN ILE 38 - HG12 ILE 38 10.000% * 56.7822% (0.87 5.90 181.97) = 56.782% kept HN SER 21 - HG12 ILE 38 10.000% * 24.0939% (0.80 2.71 3.00) = 24.094% kept HN GLU- 6 - HG12 ILE 38 10.000% * 10.4533% (0.76 1.23 1.16) = 10.453% kept HN SER 19 - HG12 ILE 38 10.000% * 8.6036% (0.45 1.73 2.02) = 8.604% kept HN ILE 96 - HG12 ILE 38 10.000% * 0.0389% (0.17 0.02 0.02) = 0.039% HN ILE 38 - QD LYS+ 60 10.000% * 0.0080% (0.04 0.02 12.78) = 0.008% HN SER 21 - QD LYS+ 60 10.000% * 0.0074% (0.03 0.02 0.02) = 0.007% HN GLU- 6 - QD LYS+ 60 10.000% * 0.0071% (0.03 0.02 0.02) = 0.007% HN SER 19 - QD LYS+ 60 10.000% * 0.0041% (0.02 0.02 0.02) = 0.004% HN ILE 96 - QD LYS+ 60 10.000% * 0.0016% (0.01 0.02 0.37) = 0.002% Peak 2092 (7.51, 1.43, 27.95 ppm): 3 chemical-shift based assignments, quality = 0.493, support = 5.07, residual support = 38.4: HN THR 39 - HG13 ILE 38 33.333% * 56.5320% (0.41 6.44 58.11) = 56.532% kept HN LYS+ 60 - HG13 ILE 38 33.333% * 43.1019% (0.61 3.33 12.78) = 43.102% kept HN TYR 31 - HG13 ILE 38 33.333% * 0.3661% (0.22 0.08 0.02) = 0.366% Peak 2093 (8.20, 1.43, 27.95 ppm): 5 chemical-shift based assignments, quality = 0.656, support = 3.77, residual support = 90.0: HN ILE 38 - HG13 ILE 38 20.000% * 48.9217% (0.61 6.00 181.97) = 48.922% kept HN SER 21 - HG13 ILE 38 20.000% * 16.4764% (0.52 2.33 3.00) = 16.476% kept HN GLU- 6 - HG13 ILE 38 20.000% * 15.7005% (0.96 1.21 1.16) = 15.700% kept HN SER 19 - HG13 ILE 38 20.000% * 14.6883% (0.72 1.50 2.02) = 14.688% kept HN ILE 96 - HG13 ILE 38 20.000% * 4.2131% (0.37 0.84 0.02) = 4.213% kept Peak 2094 (3.26, 1.20, 63.55 ppm): 2 chemical-shift based assignments, quality = 0.13, support = 0.02, residual support = 0.02: HD2 ARG+ 88 - QG2 THR 39 50.000% * 78.8993% (0.15 0.02 0.02) = 78.899% kept HD2 ARG+ 88 - QG2 THR 4 50.000% * 21.1007% (0.04 0.02 0.02) = 21.101% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2095 (3.38, 1.20, 63.55 ppm): 2 chemical-shift based assignments, quality = 0.41, support = 1.8, residual support = 2.43: QD ARG+ 53 - QG2 THR 39 50.000% * 88.6480% (0.45 1.91 2.71) = 88.648% kept QD ARG+ 53 - QG2 THR 4 50.000% * 11.3520% (0.12 0.92 0.28) = 11.352% kept Peak 2096 (4.13, 1.20, 63.55 ppm): 12 chemical-shift based assignments, quality = 0.973, support = 2.28, residual support = 30.1: O T HB THR 39 - QG2 THR 39 8.333% * 97.2609% (0.99 10.0 10.00 2.34 30.99) = 97.261% kept HA GLU- 16 - QG2 THR 39 8.333% * 1.1910% (0.92 1.0 1.00 0.26 0.02) = 1.191% kept HA ILE 95 - QG2 THR 39 8.333% * 0.9606% (0.87 1.0 1.00 0.23 0.02) = 0.961% T HB THR 39 - QG2 THR 4 8.333% * 0.2601% (0.26 1.0 10.00 0.02 0.02) = 0.260% HA LEU 26 - QG2 THR 39 8.333% * 0.0750% (0.76 1.0 1.00 0.02 0.02) = 0.075% QB SER 19 - QG2 THR 39 8.333% * 0.0750% (0.76 1.0 1.00 0.02 0.02) = 0.075% HA GLU- 30 - QG2 THR 39 8.333% * 0.0713% (0.72 1.0 1.00 0.02 0.02) = 0.071% HA GLU- 16 - QG2 THR 4 8.333% * 0.0242% (0.25 1.0 1.00 0.02 0.11) = 0.024% HA ILE 95 - QG2 THR 4 8.333% * 0.0228% (0.23 1.0 1.00 0.02 0.02) = 0.023% QB SER 19 - QG2 THR 4 8.333% * 0.0201% (0.20 1.0 1.00 0.02 0.02) = 0.020% HA LEU 26 - QG2 THR 4 8.333% * 0.0201% (0.20 1.0 1.00 0.02 0.02) = 0.020% HA GLU- 30 - QG2 THR 4 8.333% * 0.0191% (0.19 1.0 1.00 0.02 0.02) = 0.019% Peak 2097 (4.75, 1.20, 63.55 ppm): 12 chemical-shift based assignments, quality = 0.583, support = 1.04, residual support = 1.15: HA ARG+ 53 - QG2 THR 39 8.333% * 34.8554% (0.56 1.48 2.71) = 34.855% kept HA LYS+ 55 - QG2 THR 39 8.333% * 28.0196% (0.87 0.78 0.54) = 28.020% kept HA ARG+ 53 - QG2 THR 4 8.333% * 11.7974% (0.15 1.87 0.28) = 11.797% kept HA ILE 85 - QG2 THR 39 8.333% * 6.4406% (0.92 0.17 0.02) = 6.441% kept HA ALA 34 - QG2 THR 39 8.333% * 6.0576% (0.72 0.20 0.02) = 6.058% kept HA LYS+ 20 - QG2 THR 4 8.333% * 4.4531% (0.15 0.71 0.28) = 4.453% kept HA ALA 34 - QG2 THR 4 8.333% * 3.9161% (0.19 0.48 0.02) = 3.916% kept HA LYS+ 55 - QG2 THR 4 8.333% * 3.5477% (0.23 0.37 0.22) = 3.548% kept HA LYS+ 20 - QG2 THR 39 8.333% * 0.4717% (0.56 0.02 0.56) = 0.472% HA ILE 85 - QG2 THR 4 8.333% * 0.2057% (0.25 0.02 0.02) = 0.206% HA HIS 99 - QG2 THR 39 8.333% * 0.1855% (0.22 0.02 0.02) = 0.185% HA HIS 99 - QG2 THR 4 8.333% * 0.0496% (0.06 0.02 0.02) = 0.050% Peak 2099 (5.26, 1.20, 63.55 ppm): 10 chemical-shift based assignments, quality = 0.938, support = 3.28, residual support = 29.2: O T HA THR 39 - QG2 THR 39 10.000% * 94.2531% (0.96 10.0 10.00 3.43 30.99) = 94.253% kept HA PHE 62 - QG2 THR 39 10.000% * 2.4852% (0.56 1.0 1.00 0.90 0.02) = 2.485% kept HA VAL 52 - QG2 THR 39 10.000% * 1.6020% (0.25 1.0 1.00 1.32 1.14) = 1.602% kept HA ARG+ 90 - QG2 THR 39 10.000% * 1.3384% (0.89 1.0 1.00 0.31 0.85) = 1.338% kept T HA THR 39 - QG2 THR 4 10.000% * 0.2521% (0.26 1.0 10.00 0.02 0.02) = 0.252% HA ARG+ 90 - QG2 THR 4 10.000% * 0.0234% (0.24 1.0 1.00 0.02 0.02) = 0.023% HA TYR 93 - QG2 THR 39 10.000% * 0.0193% (0.20 1.0 1.00 0.02 0.02) = 0.019% HA PHE 62 - QG2 THR 4 10.000% * 0.0148% (0.15 1.0 1.00 0.02 0.02) = 0.015% HA VAL 52 - QG2 THR 4 10.000% * 0.0065% (0.07 1.0 1.00 0.02 0.02) = 0.007% HA TYR 93 - QG2 THR 4 10.000% * 0.0052% (0.05 1.0 1.00 0.02 0.02) = 0.005% Peak 2100 (9.16, 1.20, 63.55 ppm): 2 chemical-shift based assignments, quality = 0.17, support = 0.727, residual support = 0.82: HN TYR 81 - QG2 THR 39 50.000% * 96.5051% (0.17 0.75 0.71) = 96.505% kept HN TYR 81 - QG2 THR 4 50.000% * 3.4949% (0.05 0.10 3.91) = 3.495% kept Not enough quality. Peak unassigned. Peak 2101 (0.85, 0.99, 22.77 ppm): 4 chemical-shift based assignments, quality = 0.866, support = 3.68, residual support = 43.7: O QG2 VAL 40 - QG1 VAL 40 25.000% * 93.5376% (0.89 10.0 1.00 3.90 46.74) = 93.538% kept T QD1 ILE 95 - QG1 VAL 40 25.000% * 3.6754% (0.34 1.0 10.00 0.21 0.02) = 3.675% kept QD2 LEU 43 - QG1 VAL 40 25.000% * 2.7195% (0.61 1.0 1.00 0.86 0.02) = 2.720% kept QD1 ILE 14 - QG1 VAL 40 25.000% * 0.0675% (0.65 1.0 1.00 0.02 0.82) = 0.067% Peak 2102 (1.82, 0.99, 22.77 ppm): 8 chemical-shift based assignments, quality = 0.665, support = 1.35, residual support = 1.74: HG LEU 42 - QG1 VAL 40 12.500% * 25.3456% (0.69 1.72 1.52) = 25.346% kept HG2 ARG+ 53 - QG1 VAL 40 12.500% * 22.5725% (0.72 1.45 2.79) = 22.573% kept HB3 ARG+ 90 - QG1 VAL 40 12.500% * 18.7581% (0.45 1.95 2.86) = 18.758% kept QE MET 10 - QG1 VAL 40 12.500% * 11.4782% (0.56 0.94 1.35) = 11.478% kept HB ILE 24 - QG1 VAL 40 12.500% * 11.2822% (1.00 0.53 0.02) = 11.282% kept HD3 PRO 25 - QG1 VAL 40 12.500% * 7.3822% (0.83 0.41 0.02) = 7.382% kept HG3 PRO 33 - QG1 VAL 40 12.500% * 3.0485% (0.15 0.92 0.87) = 3.049% kept HB3 LYS+ 17 - QG1 VAL 40 12.500% * 0.1327% (0.31 0.02 0.10) = 0.133% Peak 2103 (2.02, 0.99, 22.77 ppm): 8 chemical-shift based assignments, quality = 0.682, support = 1.2, residual support = 2.37: T HG2 PRO 33 - QG1 VAL 40 12.500% * 44.1209% (0.65 10.00 0.97 0.87) = 44.121% kept T HB ILE 38 - QG1 VAL 40 12.500% * 20.3118% (0.41 10.00 0.70 1.07) = 20.312% kept HG3 MET 54 - QG1 VAL 40 12.500% * 14.4093% (1.00 1.00 2.06 6.95) = 14.409% kept HB2 ARG+ 53 - QG1 VAL 40 12.500% * 13.5250% (0.92 1.00 2.09 2.79) = 13.525% kept HB VAL 52 - QG1 VAL 40 12.500% * 3.2073% (0.49 1.00 0.94 12.21) = 3.207% kept HB3 MET 1 - QG1 VAL 40 12.500% * 2.4516% (0.89 1.00 0.39 0.02) = 2.452% kept HB2 LYS+ 20 - QG1 VAL 40 12.500% * 1.7284% (0.49 1.00 0.51 0.02) = 1.728% kept T QG PRO 12 - QG1 VAL 40 12.500% * 0.2456% (0.17 10.00 0.02 0.02) = 0.246% Peak 2104 (2.52, 0.99, 22.77 ppm): 5 chemical-shift based assignments, quality = 0.823, support = 2.14, residual support = 7.67: T HB2 ARG+ 90 - QG1 VAL 40 20.000% * 39.2178% (0.87 10.00 1.77 2.86) = 39.218% kept T HB3 ASP- 41 - QG1 VAL 40 20.000% * 30.9110% (0.61 10.00 3.53 18.78) = 30.911% kept T QB PHE 62 - QG1 VAL 40 20.000% * 29.8242% (1.00 10.00 1.17 2.50) = 29.824% kept HB3 ASN 75 - QG1 VAL 40 20.000% * 0.0370% (0.72 1.00 0.02 0.02) = 0.037% HG2 GLU- 68 - QG1 VAL 40 20.000% * 0.0101% (0.20 1.00 0.02 0.02) = 0.010% Peak 2105 (1.83, 0.85, 59.99 ppm): 9 chemical-shift based assignments, quality = 0.68, support = 0.874, residual support = 1.26: QE MET 10 - QG2 VAL 40 11.111% * 25.7964% (0.83 0.90 1.35) = 25.796% kept HG2 ARG+ 53 - QG2 VAL 40 11.111% * 24.6667% (0.45 1.60 2.79) = 24.667% kept HD3 PRO 25 - QG2 VAL 40 11.111% * 17.2502% (0.99 0.51 0.02) = 17.250% kept HB ILE 24 - QG2 VAL 40 11.111% * 12.9164% (0.92 0.41 0.02) = 12.916% kept HG LEU 42 - QG2 VAL 40 11.111% * 8.6911% (0.41 0.61 1.52) = 8.691% kept HG3 PRO 33 - QG2 VAL 40 11.111% * 6.3747% (0.34 0.54 0.87) = 6.375% kept HB3 PRO 33 - QG2 VAL 40 11.111% * 3.6984% (0.20 0.54 0.87) = 3.698% kept HB3 ARG+ 90 - QG2 VAL 40 11.111% * 0.4999% (0.72 0.02 2.86) = 0.500% HB3 LYS+ 11 - QG2 VAL 40 11.111% * 0.1062% (0.15 0.02 0.12) = 0.106% Peak 2106 (2.02, 0.85, 59.99 ppm): 8 chemical-shift based assignments, quality = 0.788, support = 1.76, residual support = 5.03: HB2 ARG+ 53 - QG2 VAL 40 12.500% * 37.4357% (0.92 2.32 2.79) = 37.436% kept HG3 MET 54 - QG2 VAL 40 12.500% * 23.4466% (1.00 1.34 6.95) = 23.447% kept HB VAL 52 - QG2 VAL 40 12.500% * 17.9130% (0.49 2.10 12.21) = 17.913% kept HG2 PRO 33 - QG2 VAL 40 12.500% * 13.4777% (0.65 1.19 0.87) = 13.478% kept HB ILE 38 - QG2 VAL 40 12.500% * 5.2303% (0.41 0.73 1.07) = 5.230% kept HB3 MET 1 - QG2 VAL 40 12.500% * 1.5867% (0.89 0.10 0.02) = 1.587% kept HB2 LYS+ 20 - QG2 VAL 40 12.500% * 0.8486% (0.49 0.10 0.02) = 0.849% QG PRO 12 - QG2 VAL 40 12.500% * 0.0614% (0.17 0.02 0.02) = 0.061% Peak 2107 (2.28, 0.85, 59.99 ppm): 4 chemical-shift based assignments, quality = 0.959, support = 3.32, residual support = 45.8: O T HB VAL 40 - QG2 VAL 40 25.000% * 98.0790% (0.98 10.0 10.00 3.39 46.74) = 98.079% kept T QG GLU- 16 - QG2 VAL 40 25.000% * 0.8358% (0.83 1.0 10.00 0.02 2.72) = 0.836% T HG2 GLN 83 - QG2 VAL 40 25.000% * 0.8358% (0.83 1.0 10.00 0.02 0.20) = 0.836% T HB3 GLN 8 - QG2 VAL 40 25.000% * 0.2495% (0.25 1.0 10.00 0.02 0.02) = 0.250% Peak 2108 (5.11, 0.85, 59.99 ppm): 2 chemical-shift based assignments, quality = 0.995, support = 3.85, residual support = 46.0: O T HA VAL 40 - QG2 VAL 40 50.000% * 98.3286% (1.00 10.0 10.00 3.91 46.74) = 98.329% kept HA GLN 83 - QG2 VAL 40 50.000% * 1.6714% (0.83 1.0 1.00 0.41 0.20) = 1.671% kept Peak 2109 (5.27, 0.85, 59.99 ppm): 5 chemical-shift based assignments, quality = 0.807, support = 2.4, residual support = 11.4: HA THR 39 - QG2 VAL 40 20.000% * 39.5385% (0.76 3.23 17.36) = 39.539% kept HA VAL 52 - QG2 VAL 40 20.000% * 32.4911% (0.80 2.54 12.21) = 32.491% kept HA PHE 62 - QG2 VAL 40 20.000% * 20.4012% (1.00 1.28 2.50) = 20.401% kept HA TYR 93 - QG2 VAL 40 20.000% * 4.3347% (0.72 0.37 0.02) = 4.335% kept HA ARG+ 90 - QG2 VAL 40 20.000% * 3.2344% (0.34 0.59 2.86) = 3.234% kept Peak 2110 (3.81, 0.99, 22.77 ppm): 1 chemical-shift based assignment, quality = 0.565, support = 0.02, residual support = 0.02: HB3 SER 21 - QG1 VAL 40 100.000% *100.0000% (0.56 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2111 (4.41, 0.99, 22.77 ppm): 3 chemical-shift based assignments, quality = 0.504, support = 0.02, residual support = 0.02: HA ASN 29 - QG1 VAL 40 33.333% * 60.5654% (0.69 0.02 0.02) = 60.565% kept HA1 GLY 98 - QG1 VAL 40 33.333% * 21.9857% (0.25 0.02 0.02) = 21.986% kept HA TRP 67 - QG1 VAL 40 33.333% * 17.4489% (0.20 0.02 0.02) = 17.449% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2112 (4.78, 0.99, 22.77 ppm): 3 chemical-shift based assignments, quality = 0.745, support = 1.62, residual support = 2.41: HA THR 64 - QG1 VAL 40 33.333% * 72.2740% (0.89 1.85 3.21) = 72.274% kept HA LYS+ 55 - QG1 VAL 40 33.333% * 19.1669% (0.37 1.18 0.39) = 19.167% kept HA ILE 85 - QG1 VAL 40 33.333% * 8.5592% (0.31 0.64 0.15) = 8.559% kept Peak 2113 (5.11, 0.99, 22.77 ppm): 2 chemical-shift based assignments, quality = 0.997, support = 4.02, residual support = 46.7: O T HA VAL 40 - QG1 VAL 40 50.000% * 99.9165% (1.00 10.0 10.00 4.03 46.74) = 99.917% kept HA GLN 83 - QG1 VAL 40 50.000% * 0.0835% (0.83 1.0 1.00 0.02 0.20) = 0.083% Peak 2114 (5.25, 0.99, 22.77 ppm): 3 chemical-shift based assignments, quality = 0.798, support = 2.03, residual support = 4.34: T HA ARG+ 90 - QG1 VAL 40 33.333% * 60.7019% (0.99 10.00 1.62 2.86) = 60.702% kept T HA PHE 62 - QG1 VAL 40 33.333% * 28.3596% (0.37 10.00 2.34 2.50) = 28.360% kept HA THR 39 - QG1 VAL 40 33.333% * 10.9384% (0.83 1.00 3.47 17.36) = 10.938% kept Peak 2115 (0.98, 5.11, 59.19 ppm): 8 chemical-shift based assignments, quality = 0.783, support = 3.61, residual support = 41.6: O T QG1 VAL 40 - HA VAL 40 12.500% * 88.7452% (0.82 10.0 10.00 4.03 46.74) = 88.745% kept T QD2 LEU 82 - HA VAL 40 12.500% * 3.4069% (0.19 1.0 10.00 0.32 0.02) = 3.407% kept QG2 THR 64 - HA VAL 40 12.500% * 2.6005% (0.97 1.0 1.00 0.49 3.21) = 2.600% kept HG LEU 76 - HA VAL 40 12.500% * 1.9764% (0.82 1.0 1.00 0.45 0.02) = 1.976% kept T HG3 LYS+ 56 - HA VAL 40 12.500% * 1.7782% (0.30 1.0 10.00 0.11 0.02) = 1.778% kept QG2 ILE 14 - HA VAL 40 12.500% * 1.0341% (0.33 1.0 1.00 0.57 0.82) = 1.034% kept QG2 ILE 85 - HA VAL 40 12.500% * 0.3900% (0.93 1.0 1.00 0.08 0.15) = 0.390% QD1 ILE 38 - HA VAL 40 12.500% * 0.0687% (0.63 1.0 1.00 0.02 1.07) = 0.069% Peak 2116 (0.85, 5.11, 59.19 ppm): 4 chemical-shift based assignments, quality = 0.874, support = 3.85, residual support = 46.0: O T QG2 VAL 40 - HA VAL 40 25.000% * 98.2828% (0.88 10.0 10.00 3.91 46.74) = 98.283% kept QD1 ILE 14 - HA VAL 40 25.000% * 1.6134% (0.63 1.0 1.00 0.46 0.82) = 1.613% kept QD2 LEU 43 - HA VAL 40 25.000% * 0.0665% (0.59 1.0 1.00 0.02 0.02) = 0.066% QD1 ILE 95 - HA VAL 40 25.000% * 0.0374% (0.33 1.0 1.00 0.02 0.02) = 0.037% Peak 2117 (0.98, 2.29, 35.97 ppm): 24 chemical-shift based assignments, quality = 0.781, support = 3.24, residual support = 40.8: O T QG1 VAL 40 - HB VAL 40 4.167% * 85.9087% (0.81 10.0 10.00 3.60 46.74) = 85.909% kept QG2 THR 64 - HB VAL 40 4.167% * 4.6282% (0.96 1.0 1.00 0.91 3.21) = 4.628% kept QG2 ILE 14 - QG GLU- 16 4.167% * 3.8394% (0.32 1.0 1.00 2.26 13.15) = 3.839% kept HG LEU 76 - HB VAL 40 4.167% * 1.9132% (0.81 1.0 1.00 0.45 0.02) = 1.913% kept QG2 THR 64 - QG GLU- 16 4.167% * 1.8092% (0.93 1.0 1.00 0.37 0.50) = 1.809% kept T QG1 VAL 40 - QG GLU- 16 4.167% * 0.8328% (0.78 1.0 10.00 0.02 2.72) = 0.833% QG2 ILE 85 - HB VAL 40 4.167% * 0.3776% (0.91 1.0 1.00 0.08 0.15) = 0.378% QD1 ILE 38 - QG GLU- 16 4.167% * 0.2967% (0.61 1.0 1.00 0.09 0.02) = 0.297% QG2 ILE 85 - QG GLU- 16 4.167% * 0.0943% (0.88 1.0 1.00 0.02 0.02) = 0.094% HG LEU 76 - QG GLU- 16 4.167% * 0.0833% (0.78 1.0 1.00 0.02 0.02) = 0.083% QD1 ILE 38 - HB VAL 40 4.167% * 0.0665% (0.62 1.0 1.00 0.02 1.07) = 0.067% QG2 ILE 14 - HB VAL 40 4.167% * 0.0351% (0.33 1.0 1.00 0.02 0.82) = 0.035% HG3 LYS+ 56 - HB VAL 40 4.167% * 0.0317% (0.30 1.0 1.00 0.02 0.02) = 0.032% HG3 LYS+ 56 - QG GLU- 16 4.167% * 0.0308% (0.29 1.0 1.00 0.02 0.36) = 0.031% QD2 LEU 82 - HB VAL 40 4.167% * 0.0204% (0.19 1.0 1.00 0.02 0.02) = 0.020% QD2 LEU 82 - QG GLU- 16 4.167% * 0.0197% (0.19 1.0 1.00 0.02 0.41) = 0.020% QG2 THR 64 - QG GLU- 59 4.167% * 0.0024% (0.02 1.0 1.00 0.02 0.02) = 0.002% QG2 ILE 85 - QG GLU- 59 4.167% * 0.0023% (0.02 1.0 1.00 0.02 2.09) = 0.002% QG1 VAL 40 - QG GLU- 59 4.167% * 0.0020% (0.02 1.0 1.00 0.02 0.11) = 0.002% HG LEU 76 - QG GLU- 59 4.167% * 0.0020% (0.02 1.0 1.00 0.02 0.02) = 0.002% QD1 ILE 38 - QG GLU- 59 4.167% * 0.0016% (0.01 1.0 1.00 0.02 1.76) = 0.002% QG2 ILE 14 - QG GLU- 59 4.167% * 0.0008% (0.01 1.0 1.00 0.02 0.29) = 0.001% HG3 LYS+ 56 - QG GLU- 59 4.167% * 0.0007% (0.01 1.0 1.00 0.02 0.02) = 0.001% QD2 LEU 82 - QG GLU- 59 4.167% * 0.0005% (0.00 1.0 1.00 0.02 0.02) = 0.000% Peak 2118 (0.85, 2.29, 35.97 ppm): 12 chemical-shift based assignments, quality = 0.842, support = 3.22, residual support = 44.2: O T QG2 VAL 40 - HB VAL 40 8.333% * 93.4597% (0.87 10.0 10.00 3.39 46.74) = 93.460% kept QD1 ILE 14 - QG GLU- 16 8.333% * 3.8996% (0.61 1.0 1.00 1.19 13.15) = 3.900% kept QD1 ILE 14 - HB VAL 40 8.333% * 1.5342% (0.62 1.0 1.00 0.46 0.82) = 1.534% kept T QG2 VAL 40 - QG GLU- 16 8.333% * 0.9059% (0.84 1.0 10.00 0.02 2.72) = 0.906% QD2 LEU 43 - HB VAL 40 8.333% * 0.0632% (0.59 1.0 1.00 0.02 0.02) = 0.063% QD2 LEU 43 - QG GLU- 16 8.333% * 0.0613% (0.57 1.0 1.00 0.02 0.02) = 0.061% QD1 ILE 95 - HB VAL 40 8.333% * 0.0355% (0.33 1.0 1.00 0.02 0.02) = 0.036% QD1 ILE 95 - QG GLU- 16 8.333% * 0.0345% (0.32 1.0 1.00 0.02 0.02) = 0.034% QG2 VAL 40 - QG GLU- 59 8.333% * 0.0022% (0.02 1.0 1.00 0.02 0.11) = 0.002% QD1 ILE 14 - QG GLU- 59 8.333% * 0.0016% (0.01 1.0 1.00 0.02 0.29) = 0.002% QD2 LEU 43 - QG GLU- 59 8.333% * 0.0015% (0.01 1.0 1.00 0.02 0.02) = 0.001% QD1 ILE 95 - QG GLU- 59 8.333% * 0.0008% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 2120 (1.26, 5.76, 53.30 ppm): 5 chemical-shift based assignments, quality = 0.45, support = 0.485, residual support = 0.132: HB3 LEU 82 - HA ASP- 41 20.000% * 67.1951% (0.55 0.59 0.02) = 67.195% kept HD2 LYS+ 56 - HA ASP- 41 20.000% * 13.8918% (0.19 0.35 0.46) = 13.892% kept HB3 LYS+ 56 - HA ASP- 41 20.000% * 11.6003% (0.22 0.26 0.46) = 11.600% kept QD1 LEU 82 - HA ASP- 41 20.000% * 6.6967% (0.37 0.09 0.02) = 6.697% kept HB3 LEU 63 - HA ASP- 41 20.000% * 0.6160% (0.15 0.02 0.02) = 0.616% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2121 (5.43, 5.76, 53.30 ppm): 2 chemical-shift based assignments, quality = 0.598, support = 0.739, residual support = 2.19: T HA THR 51 - HA ASP- 41 50.000% * 98.2531% (0.59 10.00 0.75 2.23) = 98.253% kept HA MET 54 - HA ASP- 41 50.000% * 1.7469% (0.78 1.00 0.10 0.02) = 1.747% kept Peak 2122 (1.00, 2.63, 43.11 ppm): 6 chemical-shift based assignments, quality = 0.914, support = 1.73, residual support = 6.51: T HG LEU 76 - HB2 ASP- 41 16.667% * 54.8118% (0.96 10.00 0.65 0.45) = 54.812% kept QG1 VAL 40 - HB2 ASP- 41 16.667% * 32.2084% (0.96 1.00 3.83 18.78) = 32.208% kept QG2 THR 91 - HB2 ASP- 41 16.667% * 4.9233% (0.28 1.00 2.03 4.11) = 4.923% kept QG2 THR 64 - HB2 ASP- 41 16.667% * 4.5342% (0.76 1.00 0.68 0.02) = 4.534% kept QD1 ILE 38 - HB2 ASP- 41 16.667% * 2.1484% (1.00 1.00 0.25 0.16) = 2.148% kept QG2 ILE 85 - HB2 ASP- 41 16.667% * 1.3739% (0.49 1.00 0.32 0.52) = 1.374% kept Peak 2123 (0.77, 2.63, 43.11 ppm): 3 chemical-shift based assignments, quality = 0.83, support = 1.0, residual support = 1.03: T QG2 VAL 71 - HB2 ASP- 41 33.333% * 77.0547% (0.94 10.00 0.46 0.53) = 77.055% kept QD1 LEU 43 - HB2 ASP- 41 33.333% * 22.8745% (0.45 1.00 2.85 2.71) = 22.875% kept QG2 ILE 96 - HB2 ASP- 41 33.333% * 0.0708% (0.20 1.00 0.02 0.02) = 0.071% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2124 (1.66, 2.63, 43.11 ppm): 7 chemical-shift based assignments, quality = 0.823, support = 0.485, residual support = 1.32: HB2 LEU 43 - HB2 ASP- 41 14.286% * 41.3883% (0.80 0.76 2.71) = 41.388% kept QB PRO 12 - HB2 ASP- 41 14.286% * 21.4724% (1.00 0.32 0.02) = 21.472% kept HB3 LYS+ 55 - HB2 ASP- 41 14.286% * 15.1929% (0.52 0.43 1.05) = 15.193% kept QD LYS+ 11 - HB2 ASP- 41 14.286% * 13.1596% (0.94 0.21 0.02) = 13.160% kept HB2 LYS+ 56 - HB2 ASP- 41 14.286% * 7.4480% (0.89 0.12 0.46) = 7.448% kept QD LYS+ 17 - HB2 ASP- 41 14.286% * 1.0367% (0.76 0.02 0.02) = 1.037% kept HG2 PRO 25 - HB2 ASP- 41 14.286% * 0.3020% (0.22 0.02 0.02) = 0.302% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2125 (1.74, 2.54, 43.11 ppm): 16 chemical-shift based assignments, quality = 0.411, support = 0.991, residual support = 3.53: T HB2 LYS+ 55 - QB PHE 62 6.250% * 34.3068% (0.05 10.00 1.31 7.62) = 34.307% kept HG12 ILE 38 - HB3 ASP- 41 6.250% * 23.4192% (0.89 1.00 0.53 0.16) = 23.419% kept HB2 LYS+ 55 - HB3 ASP- 41 6.250% * 20.0971% (0.31 1.00 1.31 1.05) = 20.097% kept HB ILE 14 - HB3 ASP- 41 6.250% * 5.8017% (0.86 1.00 0.13 0.02) = 5.802% kept HB VAL 61 - QB PHE 62 6.250% * 5.3509% (0.04 1.00 2.52 11.74) = 5.351% kept HB3 PRO 25 - HB3 ASP- 41 6.250% * 3.9169% (0.89 1.00 0.09 0.02) = 3.917% kept HB2 ARG+ 48 - HB3 ASP- 41 6.250% * 3.6610% (0.96 1.00 0.08 0.02) = 3.661% kept HB2 GLU- 23 - QB PHE 62 6.250% * 1.4571% (0.06 1.00 0.46 2.70) = 1.457% kept QB GLU- 30 - QB PHE 62 6.250% * 0.5786% (0.03 1.00 0.39 0.02) = 0.579% HB2 GLU- 23 - HB3 ASP- 41 6.250% * 0.3723% (0.37 1.00 0.02 0.02) = 0.372% HB VAL 61 - HB3 ASP- 41 6.250% * 0.2473% (0.25 1.00 0.02 0.02) = 0.247% QB GLU- 30 - HB3 ASP- 41 6.250% * 0.1737% (0.17 1.00 0.02 0.02) = 0.174% HB2 ARG+ 48 - QB PHE 62 6.250% * 0.1643% (0.16 1.00 0.02 0.02) = 0.164% HG12 ILE 38 - QB PHE 62 6.250% * 0.1527% (0.15 1.00 0.02 0.98) = 0.153% HB3 PRO 25 - QB PHE 62 6.250% * 0.1527% (0.15 1.00 0.02 0.02) = 0.153% HB ILE 14 - QB PHE 62 6.250% * 0.1477% (0.15 1.00 0.02 0.17) = 0.148% Peak 2126 (1.00, 2.54, 43.11 ppm): 12 chemical-shift based assignments, quality = 0.807, support = 2.92, residual support = 14.5: T QG1 VAL 40 - HB3 ASP- 41 8.333% * 75.0729% (0.96 10.00 3.53 18.78) = 75.073% kept T QG1 VAL 40 - QB PHE 62 8.333% * 7.5574% (0.16 10.00 1.17 2.50) = 7.557% kept T QG2 THR 64 - QB PHE 62 8.333% * 7.0303% (0.13 10.00 1.38 2.01) = 7.030% kept HG LEU 76 - HB3 ASP- 41 8.333% * 3.3116% (0.96 1.00 0.88 0.45) = 3.312% kept QD1 ILE 38 - HB3 ASP- 41 8.333% * 2.1562% (0.99 1.00 0.56 0.16) = 2.156% kept QG2 THR 91 - HB3 ASP- 41 8.333% * 2.1387% (0.28 1.00 1.98 4.11) = 2.139% kept QG2 THR 64 - HB3 ASP- 41 8.333% * 1.1037% (0.76 1.00 0.37 0.02) = 1.104% kept QG2 ILE 85 - HB3 ASP- 41 8.333% * 0.8532% (0.48 1.00 0.45 0.52) = 0.853% QD1 ILE 38 - QB PHE 62 8.333% * 0.7529% (0.17 1.00 1.13 0.98) = 0.753% HG LEU 76 - QB PHE 62 8.333% * 0.0129% (0.16 1.00 0.02 0.02) = 0.013% QG2 ILE 85 - QB PHE 62 8.333% * 0.0065% (0.08 1.00 0.02 0.02) = 0.006% QG2 THR 91 - QB PHE 62 8.333% * 0.0037% (0.05 1.00 0.02 0.28) = 0.004% Peak 2127 (0.77, 2.54, 43.11 ppm): 6 chemical-shift based assignments, quality = 0.476, support = 2.18, residual support = 2.52: T QD1 LEU 43 - HB3 ASP- 41 16.667% * 91.6022% (0.44 10.00 2.32 2.71) = 91.602% kept QG2 VAL 71 - HB3 ASP- 41 16.667% * 7.3484% (0.94 1.00 0.76 0.53) = 7.348% kept QG2 VAL 71 - QB PHE 62 16.667% * 0.8149% (0.16 1.00 0.49 0.68) = 0.815% QD1 LEU 43 - QB PHE 62 16.667% * 0.1871% (0.08 1.00 0.24 0.50) = 0.187% QG2 ILE 96 - HB3 ASP- 41 16.667% * 0.0404% (0.20 1.00 0.02 0.02) = 0.040% QG2 ILE 96 - QB PHE 62 16.667% * 0.0069% (0.03 1.00 0.02 0.02) = 0.007% Peak 2128 (1.20, 5.38, 53.50 ppm): 7 chemical-shift based assignments, quality = 0.488, support = 6.02, residual support = 154.3: O T HB3 LEU 42 - HA LEU 42 14.286% * 90.1802% (0.44 10.0 10.00 6.64 171.06) = 90.180% kept QE MET 54 - HA LEU 42 14.286% * 4.1462% (0.97 1.0 1.00 0.42 0.26) = 4.146% kept QG2 THR 39 - HA LEU 42 14.286% * 3.4929% (0.89 1.0 1.00 0.39 0.02) = 3.493% kept HG3 GLU- 23 - HA LEU 42 14.286% * 1.8601% (0.86 1.0 1.00 0.21 0.02) = 1.860% kept QG2 THR 4 - HA LEU 42 14.286% * 0.1745% (0.86 1.0 1.00 0.02 0.02) = 0.174% HD3 LYS+ 56 - HA LEU 42 14.286% * 0.0902% (0.44 1.0 1.00 0.02 0.55) = 0.090% QG1 VAL 65 - HA LEU 42 14.286% * 0.0559% (0.28 1.0 1.00 0.02 0.02) = 0.056% Peak 2129 (5.39, 2.63, 43.11 ppm): 2 chemical-shift based assignments, quality = 0.544, support = 4.39, residual support = 23.1: HA LEU 42 - HB2 ASP- 41 50.000% * 76.2357% (0.52 5.31 29.05) = 76.236% kept HA THR 91 - HB2 ASP- 41 50.000% * 23.7643% (0.61 1.44 4.11) = 23.764% kept Peak 2130 (5.35, 2.54, 43.11 ppm): 4 chemical-shift based assignments, quality = 0.295, support = 5.03, residual support = 24.6: HA LEU 42 - HB3 ASP- 41 25.000% * 82.1925% (0.31 5.79 29.05) = 82.192% kept HA THR 91 - HB3 ASP- 41 25.000% * 17.7194% (0.25 1.55 4.11) = 17.719% kept HA LEU 42 - QB PHE 62 25.000% * 0.0487% (0.05 0.02 0.02) = 0.049% HA THR 91 - QB PHE 62 25.000% * 0.0394% (0.04 0.02 0.28) = 0.039% Peak 2132 (8.93, 5.11, 59.19 ppm): 4 chemical-shift based assignments, quality = 0.912, support = 3.99, residual support = 16.5: O HN ASP- 41 - HA VAL 40 25.000% * 85.7249% (0.93 10.0 4.37 18.78) = 85.725% kept HN VAL 65 - HA VAL 40 25.000% * 9.1899% (0.98 1.0 2.03 2.79) = 9.190% kept HN GLU- 16 - HA VAL 40 25.000% * 3.3845% (0.67 1.0 1.09 2.72) = 3.385% kept HN LEU 63 - HA VAL 40 25.000% * 1.7006% (0.27 1.0 1.35 0.80) = 1.701% kept Peak 2133 (7.03, 0.99, 22.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2134 (8.93, 0.99, 22.77 ppm): 4 chemical-shift based assignments, quality = 0.898, support = 4.09, residual support = 12.4: HN ASP- 41 - QG1 VAL 40 25.000% * 61.2018% (0.94 5.45 18.78) = 61.202% kept HN VAL 65 - QG1 VAL 40 25.000% * 26.1922% (1.00 2.21 2.79) = 26.192% kept HN LEU 63 - QG1 VAL 40 25.000% * 6.6819% (0.28 2.02 0.80) = 6.682% kept HN GLU- 16 - QG1 VAL 40 25.000% * 5.9241% (0.69 0.73 2.72) = 5.924% kept Peak 2135 (9.15, 0.99, 22.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2136 (7.02, 0.85, 59.99 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2137 (7.15, 0.85, 59.99 ppm): 1 chemical-shift based assignment, quality = 0.963, support = 0.571, residual support = 0.571: HN PHE 32 - QG2 VAL 40 100.000% *100.0000% (0.96 0.57 0.57) = 100.000% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2138 (8.95, 0.85, 59.99 ppm): 2 chemical-shift based assignments, quality = 0.35, support = 3.64, residual support = 16.2: HN ASP- 41 - QG2 VAL 40 50.000% * 83.8732% (0.37 4.08 18.78) = 83.873% kept HN VAL 65 - QG2 VAL 40 50.000% * 16.1268% (0.22 1.32 2.79) = 16.127% kept Peak 2139 (9.15, 0.85, 59.99 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2140 (9.65, 0.85, 59.99 ppm): 1 chemical-shift based assignment, quality = 0.725, support = 2.22, residual support = 12.2: HN VAL 52 - QG2 VAL 40 100.000% *100.0000% (0.72 2.22 12.21) = 100.000% kept Peak 2141 (8.96, 5.76, 53.30 ppm): 1 chemical-shift based assignment, quality = 0.172, support = 4.17, residual support = 30.1: O HN ASP- 41 - HA ASP- 41 100.000% *100.0000% (0.17 10.0 4.17 30.09) = 100.000% kept Peak 2142 (9.61, 5.76, 53.30 ppm): 2 chemical-shift based assignments, quality = 0.893, support = 1.11, residual support = 1.16: HN TYR 86 - HA ASP- 41 50.000% * 67.3763% (0.98 1.24 1.47) = 67.376% kept HN ILE 85 - HA ASP- 41 50.000% * 32.6237% (0.71 0.83 0.52) = 32.624% kept Peak 2143 (8.93, 2.63, 43.11 ppm): 4 chemical-shift based assignments, quality = 0.986, support = 4.33, residual support = 29.0: O HN ASP- 41 - HB2 ASP- 41 25.000% * 96.5271% (1.00 10.0 4.47 30.09) = 96.527% kept HN VAL 65 - HB2 ASP- 41 25.000% * 2.7624% (0.92 1.0 0.62 0.02) = 2.762% kept HN GLU- 16 - HB2 ASP- 41 25.000% * 0.6974% (0.45 1.0 0.32 0.12) = 0.697% HN LEU 63 - HB2 ASP- 41 25.000% * 0.0131% (0.14 1.0 0.02 0.02) = 0.013% Peak 2144 (9.58, 2.63, 43.11 ppm): 3 chemical-shift based assignments, quality = 0.896, support = 5.36, residual support = 25.2: HN LEU 42 - HB2 ASP- 41 33.333% * 86.5293% (0.94 6.01 29.05) = 86.529% kept HN TYR 93 - HB2 ASP- 41 33.333% * 7.0150% (0.92 0.50 0.02) = 7.015% kept HN TYR 86 - HB2 ASP- 41 33.333% * 6.4557% (0.22 1.91 1.47) = 6.456% kept Peak 2145 (6.92, 2.54, 43.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2146 (8.93, 2.54, 43.11 ppm): 8 chemical-shift based assignments, quality = 0.912, support = 4.23, residual support = 27.0: O HN ASP- 41 - HB3 ASP- 41 12.500% * 89.5863% (0.94 10.0 4.61 30.09) = 89.586% kept HN VAL 65 - HB3 ASP- 41 12.500% * 6.2076% (0.99 1.0 1.31 0.02) = 6.208% kept HN LEU 63 - HB3 ASP- 41 12.500% * 1.2269% (0.28 1.0 0.93 0.02) = 1.227% kept HN GLU- 16 - HB3 ASP- 41 12.500% * 1.0460% (0.68 1.0 0.32 0.12) = 1.046% kept HN LEU 63 - QB PHE 62 12.500% * 0.9539% (0.05 1.0 4.22 14.29) = 0.954% HN GLU- 16 - QB PHE 62 12.500% * 0.3974% (0.12 1.0 0.71 0.02) = 0.397% HN VAL 65 - QB PHE 62 12.500% * 0.3218% (0.17 1.0 0.40 0.53) = 0.322% HN ASP- 41 - QB PHE 62 12.500% * 0.2601% (0.16 1.0 0.34 0.02) = 0.260% Peak 2147 (9.59, 2.54, 43.11 ppm): 8 chemical-shift based assignments, quality = 0.509, support = 4.87, residual support = 17.5: HN LEU 42 - HB3 ASP- 41 12.500% * 58.7092% (0.48 6.93 29.05) = 58.709% kept HN TYR 86 - HB3 ASP- 41 12.500% * 25.8632% (0.68 2.16 1.47) = 25.863% kept HN ILE 85 - HB3 ASP- 41 12.500% * 9.3397% (0.25 2.15 0.52) = 9.340% kept HN TYR 93 - HB3 ASP- 41 12.500% * 5.9760% (0.44 0.77 0.02) = 5.976% kept HN TYR 86 - QB PHE 62 12.500% * 0.0411% (0.12 0.02 0.02) = 0.041% HN LEU 42 - QB PHE 62 12.500% * 0.0291% (0.08 0.02 0.02) = 0.029% HN TYR 93 - QB PHE 62 12.500% * 0.0268% (0.08 0.02 0.02) = 0.027% HN ILE 85 - QB PHE 62 12.500% * 0.0149% (0.04 0.02 0.02) = 0.015% Peak 2148 (9.32, 5.38, 53.50 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2149 (9.59, 5.38, 53.50 ppm): 3 chemical-shift based assignments, quality = 0.726, support = 7.76, residual support = 130.6: O HN LEU 42 - HA LEU 42 33.333% * 75.3664% (0.76 10.0 8.83 171.06) = 75.366% kept HN TYR 93 - HA LEU 42 33.333% * 17.6523% (0.72 1.0 4.93 7.02) = 17.652% kept HN TYR 86 - HA LEU 42 33.333% * 6.9814% (0.41 1.0 3.44 6.59) = 6.981% kept Peak 2150 (0.62, 5.38, 53.50 ppm): 4 chemical-shift based assignments, quality = 0.883, support = 6.91, residual support = 166.0: T QD1 LEU 42 - HA LEU 42 25.000% * 97.0136% (0.89 10.00 7.12 171.06) = 97.014% kept QG2 ILE 24 - HA LEU 42 25.000% * 2.0841% (0.99 1.00 0.39 1.65) = 2.084% kept HB2 LEU 22 - HA LEU 42 25.000% * 0.8119% (0.22 1.00 0.67 4.50) = 0.812% QD1 ILE 96 - HA LEU 42 25.000% * 0.0904% (0.83 1.00 0.02 0.02) = 0.090% Peak 2152 (0.66, 5.38, 53.50 ppm): 2 chemical-shift based assignments, quality = 0.884, support = 6.79, residual support = 166.9: T QD2 LEU 42 - HA LEU 42 50.000% * 97.4828% (0.89 10.00 6.95 171.06) = 97.483% kept HB2 LEU 22 - HA LEU 42 50.000% * 2.5172% (0.68 1.00 0.67 4.50) = 2.517% kept Peak 2153 (1.21, 2.20, 42.50 ppm): 7 chemical-shift based assignments, quality = 0.911, support = 5.12, residual support = 168.7: O T HB3 LEU 42 - HB2 LEU 42 14.286% * 98.6018% (0.91 10.0 10.00 5.19 171.06) = 98.602% kept QE MET 54 - HB2 LEU 42 14.286% * 1.0876% (0.79 1.0 1.00 0.25 0.26) = 1.088% kept HG3 GLU- 23 - HB2 LEU 42 14.286% * 0.1010% (0.94 1.0 1.00 0.02 0.02) = 0.101% QG1 VAL 65 - HB2 LEU 42 14.286% * 0.0816% (0.76 1.0 1.00 0.02 0.02) = 0.082% HB3 LYS+ 56 - HB2 LEU 42 14.286% * 0.0439% (0.41 1.0 1.00 0.02 0.55) = 0.044% QG2 THR 39 - HB2 LEU 42 14.286% * 0.0439% (0.41 1.0 1.00 0.02 0.02) = 0.044% QG2 THR 4 - HB2 LEU 42 14.286% * 0.0401% (0.37 1.0 1.00 0.02 0.02) = 0.040% Peak 2154 (0.66, 2.20, 42.50 ppm): 2 chemical-shift based assignments, quality = 0.888, support = 5.37, residual support = 170.9: O T QD2 LEU 42 - HB2 LEU 42 50.000% * 99.9235% (0.89 10.0 10.00 5.37 171.06) = 99.923% kept HB2 LEU 22 - HB2 LEU 42 50.000% * 0.0765% (0.68 1.0 1.00 0.02 4.50) = 0.077% Peak 2155 (0.23, 2.20, 42.50 ppm): 2 chemical-shift based assignments, quality = 0.372, support = 3.35, residual support = 23.7: T QG2 VAL 94 - HB2 LEU 42 50.000% * 87.6117% (0.37 10.00 3.42 26.40) = 87.612% kept QD1 LEU 22 - HB2 LEU 42 50.000% * 12.3883% (0.37 1.00 2.83 4.50) = 12.388% kept Peak 2156 (0.61, 2.20, 42.50 ppm): 3 chemical-shift based assignments, quality = 0.684, support = 5.35, residual support = 167.6: O T QD1 LEU 42 - HB2 LEU 42 33.333% * 97.9425% (0.68 10.0 10.00 5.46 171.06) = 97.943% kept QG2 ILE 24 - HB2 LEU 42 33.333% * 1.9710% (0.89 1.0 1.00 0.31 1.65) = 1.971% kept QD1 ILE 96 - HB2 LEU 42 33.333% * 0.0865% (0.60 1.0 1.00 0.02 0.02) = 0.086% Peak 2157 (0.23, 1.22, 42.50 ppm): 2 chemical-shift based assignments, quality = 0.374, support = 3.11, residual support = 24.1: T QG2 VAL 94 - HB3 LEU 42 50.000% * 89.3770% (0.37 10.00 3.20 26.40) = 89.377% kept QD1 LEU 22 - HB3 LEU 42 50.000% * 10.6230% (0.37 1.00 2.38 4.50) = 10.623% kept Peak 2158 (0.66, 1.22, 42.50 ppm): 2 chemical-shift based assignments, quality = 0.894, support = 5.09, residual support = 170.9: O T QD2 LEU 42 - HB3 LEU 42 50.000% * 99.9235% (0.89 10.0 10.00 5.09 171.06) = 99.923% kept HB2 LEU 22 - HB3 LEU 42 50.000% * 0.0765% (0.69 1.0 1.00 0.02 4.50) = 0.077% Peak 2159 (0.61, 1.22, 42.50 ppm): 3 chemical-shift based assignments, quality = 0.69, support = 5.15, residual support = 166.9: O T QD1 LEU 42 - HB3 LEU 42 33.333% * 97.5231% (0.69 10.0 10.00 5.27 171.06) = 97.523% kept QG2 ILE 24 - HB3 LEU 42 33.333% * 2.3908% (0.89 1.0 1.00 0.38 1.65) = 2.391% kept QD1 ILE 96 - HB3 LEU 42 33.333% * 0.0861% (0.61 1.0 1.00 0.02 0.02) = 0.086% Peak 2160 (1.79, 1.22, 42.50 ppm): 10 chemical-shift based assignments, quality = 0.422, support = 4.61, residual support = 157.1: O T HG LEU 42 - HB3 LEU 42 10.000% * 91.7854% (0.41 10.0 10.00 5.00 171.06) = 91.785% kept HB ILE 95 - HB3 LEU 42 10.000% * 2.7099% (0.34 1.0 1.00 0.71 0.11) = 2.710% kept T HG LEU 82 - HB3 LEU 42 10.000% * 2.1546% (0.96 1.0 10.00 0.02 0.21) = 2.155% kept T HG3 ARG+ 53 - HB3 LEU 42 10.000% * 1.8648% (0.83 1.0 10.00 0.02 2.89) = 1.865% kept T HG2 ARG+ 53 - HB3 LEU 42 10.000% * 0.8379% (0.37 1.0 10.00 0.02 2.89) = 0.838% HD2 LYS+ 55 - HB3 LEU 42 10.000% * 0.2112% (0.94 1.0 1.00 0.02 0.21) = 0.211% HB3 LYS+ 20 - HB3 LEU 42 10.000% * 0.1788% (0.80 1.0 1.00 0.02 0.02) = 0.179% HB3 LYS+ 17 - HB3 LEU 42 10.000% * 0.1788% (0.80 1.0 1.00 0.02 0.02) = 0.179% HB VAL 61 - HB3 LEU 42 10.000% * 0.0442% (0.20 1.0 1.00 0.02 0.12) = 0.044% HB2 LYS+ 55 - HB3 LEU 42 10.000% * 0.0344% (0.15 1.0 1.00 0.02 0.21) = 0.034% Peak 2161 (2.20, 1.22, 42.50 ppm): 7 chemical-shift based assignments, quality = 0.958, support = 5.16, residual support = 170.2: O T HB2 LEU 42 - HB3 LEU 42 14.286% * 99.4853% (0.96 10.0 10.00 5.19 171.06) = 99.485% kept QB GLU- 68 - HB3 LEU 42 14.286% * 0.1022% (0.99 1.0 1.00 0.02 0.02) = 0.102% QG GLU- 6 - HB3 LEU 42 14.286% * 0.1022% (0.99 1.0 1.00 0.02 0.02) = 0.102% HB2 GLU- 77 - HB3 LEU 42 14.286% * 0.1010% (0.98 1.0 1.00 0.02 0.02) = 0.101% HB2 MET 101 - HB3 LEU 42 14.286% * 0.0975% (0.94 1.0 1.00 0.02 0.02) = 0.098% QG GLU- 77 - HB3 LEU 42 14.286% * 0.0861% (0.83 1.0 1.00 0.02 0.02) = 0.086% HB2 PHE 84 - HB3 LEU 42 14.286% * 0.0257% (0.25 1.0 1.00 0.02 0.02) = 0.026% Peak 2162 (5.37, 2.20, 42.50 ppm): 2 chemical-shift based assignments, quality = 0.969, support = 6.52, residual support = 157.0: O T HA LEU 42 - HB2 LEU 42 50.000% * 91.4911% (0.97 10.0 10.00 6.95 171.06) = 91.491% kept HA THR 91 - HB2 LEU 42 50.000% * 8.5089% (0.94 1.0 1.00 1.93 5.99) = 8.509% kept Peak 2163 (0.41, 0.63, 26.33 ppm): 2 chemical-shift based assignments, quality = 0.922, support = 1.77, residual support = 4.45: T QD1 LEU 76 - QD1 LEU 42 50.000% * 72.2154% (1.00 10.00 2.04 4.45) = 72.215% kept T QD2 LEU 76 - QD1 LEU 42 50.000% * 27.7846% (0.72 10.00 1.06 4.45) = 27.785% kept Peak 2164 (0.27, 0.63, 26.33 ppm): 2 chemical-shift based assignments, quality = 0.725, support = 4.61, residual support = 24.2: T QG2 VAL 94 - QD1 LEU 42 50.000% * 89.8522% (0.72 10.00 4.87 26.40) = 89.852% kept QD1 LEU 22 - QD1 LEU 42 50.000% * 10.1478% (0.72 1.00 2.26 4.50) = 10.148% kept Peak 2165 (0.85, 0.63, 26.33 ppm): 4 chemical-shift based assignments, quality = 0.839, support = 4.05, residual support = 32.9: QD2 LEU 43 - QD1 LEU 42 25.000% * 76.5097% (0.87 5.06 42.74) = 76.510% kept QD1 ILE 95 - QD1 LEU 42 25.000% * 11.0615% (0.61 1.05 0.11) = 11.062% kept QG2 VAL 40 - QD1 LEU 42 25.000% * 10.2348% (1.00 0.59 1.52) = 10.235% kept QD1 ILE 14 - QD1 LEU 42 25.000% * 2.1940% (0.37 0.34 0.02) = 2.194% kept Peak 2166 (0.96, 0.63, 26.33 ppm): 7 chemical-shift based assignments, quality = 0.902, support = 3.56, residual support = 8.82: T QG2 VAL 52 - QD1 LEU 42 14.286% * 85.0746% (0.92 10.00 3.94 10.25) = 85.075% kept HG3 LYS+ 56 - QD1 LEU 42 14.286% * 8.2200% (0.98 1.00 1.82 0.55) = 8.220% kept QG2 ILE 85 - QD1 LEU 42 14.286% * 2.7953% (0.37 1.00 1.62 1.59) = 2.795% kept QD2 LEU 82 - QD1 LEU 42 14.286% * 2.7181% (1.00 1.00 0.59 0.21) = 2.718% kept HB3 ARG+ 48 - QD1 LEU 42 14.286% * 0.7893% (0.87 1.00 0.20 0.02) = 0.789% QG2 ILE 14 - QD1 LEU 42 14.286% * 0.3867% (0.96 1.00 0.09 0.02) = 0.387% QG2 THR 64 - QD1 LEU 42 14.286% * 0.0161% (0.17 1.00 0.02 0.02) = 0.016% Peak 2167 (1.07, 0.63, 26.33 ppm): 3 chemical-shift based assignments, quality = 0.795, support = 2.59, residual support = 9.79: T QG1 VAL 52 - QD1 LEU 42 33.333% * 94.9756% (0.80 10.00 2.69 10.25) = 94.976% kept HG13 ILE 85 - QD1 LEU 42 33.333% * 2.9061% (0.83 1.00 0.59 1.59) = 2.906% kept HG2 LYS+ 56 - QD1 LEU 42 33.333% * 2.1183% (0.56 1.00 0.63 0.55) = 2.118% kept Peak 2168 (1.21, 0.63, 26.33 ppm): 8 chemical-shift based assignments, quality = 0.733, support = 4.98, residual support = 159.9: O T HB3 LEU 42 - QD1 LEU 42 12.500% * 93.4444% (0.72 10.0 10.00 5.27 171.06) = 93.444% kept QE MET 54 - QD1 LEU 42 12.500% * 5.7859% (0.96 1.0 1.00 0.93 0.26) = 5.786% kept HG3 GLU- 23 - QD1 LEU 42 12.500% * 0.4834% (1.00 1.0 1.00 0.08 0.02) = 0.483% QG2 THR 39 - QD1 LEU 42 12.500% * 0.0832% (0.65 1.0 1.00 0.02 0.02) = 0.083% QG2 THR 4 - QD1 LEU 42 12.500% * 0.0781% (0.61 1.0 1.00 0.02 0.02) = 0.078% QG1 VAL 65 - QD1 LEU 42 12.500% * 0.0677% (0.52 1.0 1.00 0.02 0.02) = 0.068% HD3 LYS+ 56 - QD1 LEU 42 12.500% * 0.0286% (0.22 1.0 1.00 0.02 0.55) = 0.029% HB3 LYS+ 56 - QD1 LEU 42 12.500% * 0.0286% (0.22 1.0 1.00 0.02 0.55) = 0.029% Peak 2169 (1.80, 0.63, 26.33 ppm): 9 chemical-shift based assignments, quality = 0.657, support = 3.69, residual support = 85.7: O T HG LEU 42 - QD1 LEU 42 11.111% * 49.2386% (0.69 10.0 10.00 5.27 171.06) = 49.239% kept T HG2 ARG+ 53 - QD1 LEU 42 11.111% * 46.3712% (0.65 1.0 10.00 2.23 2.89) = 46.371% kept HG3 ARG+ 53 - QD1 LEU 42 11.111% * 3.6571% (0.56 1.0 1.00 1.80 2.89) = 3.657% kept T HG LEU 82 - QD1 LEU 42 11.111% * 0.5478% (0.76 1.0 10.00 0.02 0.21) = 0.548% HB3 LYS+ 17 - QD1 LEU 42 11.111% * 0.0703% (0.98 1.0 1.00 0.02 0.02) = 0.070% HD2 LYS+ 55 - QD1 LEU 42 11.111% * 0.0521% (0.72 1.0 1.00 0.02 0.21) = 0.052% HB3 LYS+ 20 - QD1 LEU 42 11.111% * 0.0377% (0.52 1.0 1.00 0.02 0.02) = 0.038% HB ILE 24 - QD1 LEU 42 11.111% * 0.0142% (0.20 1.0 1.00 0.02 1.65) = 0.014% HB ILE 95 - QD1 LEU 42 11.111% * 0.0111% (0.15 1.0 1.00 0.02 0.11) = 0.011% Peak 2170 (1.79, 2.20, 42.50 ppm): 10 chemical-shift based assignments, quality = 0.401, support = 5.01, residual support = 164.3: O HG LEU 42 - HB2 LEU 42 10.000% * 96.0670% (0.41 10.0 5.19 171.06) = 96.067% kept HB ILE 95 - HB2 LEU 42 10.000% * 2.7470% (0.34 1.0 0.69 0.11) = 2.747% kept HG LEU 82 - HB2 LEU 42 10.000% * 0.2255% (0.96 1.0 0.02 0.21) = 0.226% HD2 LYS+ 55 - HB2 LEU 42 10.000% * 0.2210% (0.94 1.0 0.02 0.21) = 0.221% HG3 ARG+ 53 - HB2 LEU 42 10.000% * 0.1952% (0.83 1.0 0.02 2.89) = 0.195% HB3 LYS+ 20 - HB2 LEU 42 10.000% * 0.1871% (0.79 1.0 0.02 0.02) = 0.187% HB3 LYS+ 17 - HB2 LEU 42 10.000% * 0.1871% (0.79 1.0 0.02 0.02) = 0.187% HG2 ARG+ 53 - HB2 LEU 42 10.000% * 0.0877% (0.37 1.0 0.02 2.89) = 0.088% HB VAL 61 - HB2 LEU 42 10.000% * 0.0462% (0.20 1.0 0.02 0.12) = 0.046% HB2 LYS+ 55 - HB2 LEU 42 10.000% * 0.0361% (0.15 1.0 0.02 0.21) = 0.036% Peak 2171 (2.03, 0.63, 26.33 ppm): 8 chemical-shift based assignments, quality = 0.794, support = 1.72, residual support = 8.7: T HB VAL 52 - QD1 LEU 42 12.500% * 81.3626% (0.76 10.00 1.74 10.25) = 81.363% kept HB2 ARG+ 53 - QD1 LEU 42 12.500% * 11.9452% (1.00 1.00 1.95 2.89) = 11.945% kept HG3 MET 54 - QD1 LEU 42 12.500% * 6.3422% (0.87 1.00 1.19 0.26) = 6.342% kept HG2 PRO 33 - QD1 LEU 42 12.500% * 0.1099% (0.89 1.00 0.02 0.02) = 0.110% HB ILE 38 - QD1 LEU 42 12.500% * 0.0842% (0.69 1.00 0.02 0.02) = 0.084% HB3 MET 1 - QD1 LEU 42 12.500% * 0.0793% (0.65 1.00 0.02 0.02) = 0.079% QG PRO 12 - QD1 LEU 42 12.500% * 0.0460% (0.37 1.00 0.02 0.02) = 0.046% HB2 LYS+ 20 - QD1 LEU 42 12.500% * 0.0306% (0.25 1.00 0.02 0.02) = 0.031% Peak 2172 (2.18, 0.63, 26.33 ppm): 9 chemical-shift based assignments, quality = 0.558, support = 5.39, residual support = 169.0: O T HB2 LEU 42 - QD1 LEU 42 11.111% * 98.7690% (0.56 10.0 10.00 5.46 171.06) = 98.769% kept HB2 PHE 84 - QD1 LEU 42 11.111% * 0.7643% (0.94 1.0 1.00 0.09 0.02) = 0.764% HB2 LEU 82 - QD1 LEU 42 11.111% * 0.1198% (0.69 1.0 1.00 0.02 0.21) = 0.120% QB GLU- 68 - QD1 LEU 42 11.111% * 0.0849% (0.49 1.0 1.00 0.02 0.02) = 0.085% HB2 GLU- 59 - QD1 LEU 42 11.111% * 0.0782% (0.45 1.0 1.00 0.02 0.02) = 0.078% QG GLU- 6 - QD1 LEU 42 11.111% * 0.0595% (0.34 1.0 1.00 0.02 0.02) = 0.060% HB2 GLU- 77 - QD1 LEU 42 11.111% * 0.0538% (0.31 1.0 1.00 0.02 0.02) = 0.054% HB2 MET 101 - QD1 LEU 42 11.111% * 0.0435% (0.25 1.0 1.00 0.02 0.02) = 0.044% QG GLU- 77 - QD1 LEU 42 11.111% * 0.0269% (0.15 1.0 1.00 0.02 0.02) = 0.027% Peak 2173 (2.37, 0.63, 26.33 ppm): 4 chemical-shift based assignments, quality = 0.676, support = 0.147, residual support = 0.358: HE3 LYS+ 56 - QD1 LEU 42 25.000% * 63.9531% (0.80 0.16 0.55) = 63.953% kept HB3 ASP- 89 - QD1 LEU 42 25.000% * 26.7919% (0.37 0.15 0.02) = 26.792% kept HG3 GLU- 68 - QD1 LEU 42 25.000% * 7.7598% (0.80 0.02 0.02) = 7.760% kept HB2 GLN 8 - QD1 LEU 42 25.000% * 1.4952% (0.15 0.02 0.02) = 1.495% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2174 (0.26, 0.66, 25.04 ppm): 2 chemical-shift based assignments, quality = 0.946, support = 4.07, residual support = 19.0: QG2 VAL 94 - QD2 LEU 42 50.000% * 66.0866% (0.95 4.87 26.40) = 66.087% kept QD1 LEU 22 - QD2 LEU 42 50.000% * 33.9134% (0.95 2.50 4.50) = 33.913% kept Peak 2175 (0.41, 0.66, 25.04 ppm): 2 chemical-shift based assignments, quality = 0.821, support = 1.67, residual support = 4.45: QD1 LEU 76 - QD2 LEU 42 50.000% * 76.5337% (0.92 1.85 4.45) = 76.534% kept QD2 LEU 76 - QD2 LEU 42 50.000% * 23.4663% (0.49 1.08 4.45) = 23.466% kept Peak 2176 (0.96, 0.66, 25.04 ppm): 9 chemical-shift based assignments, quality = 0.709, support = 1.21, residual support = 3.58: QG2 VAL 52 - QD2 LEU 42 11.111% * 28.4761% (0.73 1.83 10.25) = 28.476% kept QD2 LEU 82 - QD2 LEU 42 11.111% * 21.5798% (0.90 1.13 0.21) = 21.580% kept HG3 LYS+ 56 - QD2 LEU 42 11.111% * 14.4100% (0.98 0.69 0.55) = 14.410% kept QG2 ILE 85 - QD2 LEU 42 11.111% * 11.6209% (0.61 0.90 1.59) = 11.621% kept HB3 ARG+ 48 - QD2 LEU 42 11.111% * 7.0998% (0.65 0.51 0.02) = 7.100% kept HG LEU 76 - QD2 LEU 42 11.111% * 6.6881% (0.15 2.03 4.45) = 6.688% kept QG2 THR 64 - QD2 LEU 42 11.111% * 5.0010% (0.34 0.69 0.02) = 5.001% kept QG1 VAL 40 - QD2 LEU 42 11.111% * 3.2819% (0.15 0.99 1.52) = 3.282% kept QG2 ILE 14 - QD2 LEU 42 11.111% * 1.8424% (0.99 0.09 0.02) = 1.842% kept Peak 2177 (1.20, 0.66, 25.04 ppm): 7 chemical-shift based assignments, quality = 0.483, support = 4.69, residual support = 156.1: O T HB3 LEU 42 - QD2 LEU 42 14.286% * 91.2328% (0.45 10.0 10.00 5.09 171.06) = 91.233% kept QE MET 54 - QD2 LEU 42 14.286% * 5.9320% (0.98 1.0 1.00 0.59 0.26) = 5.932% kept HD3 LYS+ 56 - QD2 LEU 42 14.286% * 1.2223% (0.45 1.0 1.00 0.27 0.55) = 1.222% kept HG3 GLU- 23 - QD2 LEU 42 14.286% * 1.1972% (0.87 1.0 1.00 0.14 0.02) = 1.197% kept QG2 THR 39 - QD2 LEU 42 14.286% * 0.1825% (0.90 1.0 1.00 0.02 0.02) = 0.182% QG2 THR 4 - QD2 LEU 42 14.286% * 0.1765% (0.87 1.0 1.00 0.02 0.02) = 0.177% QG1 VAL 65 - QD2 LEU 42 14.286% * 0.0566% (0.28 1.0 1.00 0.02 0.02) = 0.057% Peak 2178 (1.79, 0.66, 25.04 ppm): 10 chemical-shift based assignments, quality = 0.433, support = 4.62, residual support = 155.5: O HG LEU 42 - QD2 LEU 42 10.000% * 90.8726% (0.41 10.0 5.05 171.06) = 90.873% kept HG LEU 82 - QD2 LEU 42 10.000% * 4.9682% (0.97 1.0 0.47 0.21) = 4.968% kept HB ILE 95 - QD2 LEU 42 10.000% * 2.2095% (0.34 1.0 0.59 0.11) = 2.209% kept HG2 ARG+ 53 - QD2 LEU 42 10.000% * 1.1242% (0.38 1.0 0.27 2.89) = 1.124% kept HD2 LYS+ 55 - QD2 LEU 42 10.000% * 0.2091% (0.95 1.0 0.02 0.21) = 0.209% HG3 ARG+ 53 - QD2 LEU 42 10.000% * 0.1846% (0.84 1.0 0.02 2.89) = 0.185% HB3 LYS+ 20 - QD2 LEU 42 10.000% * 0.1770% (0.80 1.0 0.02 0.02) = 0.177% HB3 LYS+ 17 - QD2 LEU 42 10.000% * 0.1770% (0.80 1.0 0.02 0.02) = 0.177% HB VAL 61 - QD2 LEU 42 10.000% * 0.0437% (0.20 1.0 0.02 0.12) = 0.044% HB2 LYS+ 55 - QD2 LEU 42 10.000% * 0.0341% (0.15 1.0 0.02 0.21) = 0.034% Peak 2179 (2.19, 0.66, 25.04 ppm): 9 chemical-shift based assignments, quality = 0.81, support = 5.17, residual support = 162.7: O T HB2 LEU 42 - QD2 LEU 42 11.111% * 95.1059% (0.84 10.0 10.00 5.37 171.06) = 95.106% kept HB2 LEU 82 - QD2 LEU 42 11.111% * 3.8278% (0.41 1.0 1.00 1.64 0.21) = 3.828% kept HB2 PHE 84 - QD2 LEU 42 11.111% * 0.7261% (0.73 1.0 1.00 0.18 0.02) = 0.726% QB GLU- 68 - QD2 LEU 42 11.111% * 0.0870% (0.76 1.0 1.00 0.02 0.02) = 0.087% QG GLU- 6 - QD2 LEU 42 11.111% * 0.0691% (0.61 1.0 1.00 0.02 0.02) = 0.069% HB2 GLU- 77 - QD2 LEU 42 11.111% * 0.0645% (0.57 1.0 1.00 0.02 0.02) = 0.064% HB2 MET 101 - QD2 LEU 42 11.111% * 0.0554% (0.49 1.0 1.00 0.02 0.02) = 0.055% QG GLU- 77 - QD2 LEU 42 11.111% * 0.0388% (0.34 1.0 1.00 0.02 0.02) = 0.039% HB2 GLU- 59 - QD2 LEU 42 11.111% * 0.0253% (0.22 1.0 1.00 0.02 0.02) = 0.025% Peak 2180 (2.79, 0.66, 25.04 ppm): 5 chemical-shift based assignments, quality = 0.552, support = 2.82, residual support = 9.29: HB3 PHE 92 - QD2 LEU 42 20.000% * 44.7559% (0.45 4.57 17.70) = 44.756% kept HB3 TYR 93 - QD2 LEU 42 20.000% * 16.1354% (0.28 2.65 7.02) = 16.135% kept HB2 ASP- 73 - QD2 LEU 42 20.000% * 15.0094% (0.99 0.69 0.11) = 15.009% kept HB2 TYR 81 - QD2 LEU 42 20.000% * 14.9701% (0.87 0.79 0.34) = 14.970% kept HB3 PHE 28 - QD2 LEU 42 20.000% * 9.1292% (0.31 1.35 1.89) = 9.129% kept Peak 2181 (3.07, 0.66, 25.04 ppm): 3 chemical-shift based assignments, quality = 0.873, support = 4.11, residual support = 14.1: HB2 PHE 92 - QD2 LEU 42 33.333% * 76.4548% (0.84 4.99 17.70) = 76.455% kept QB PHE 32 - QD2 LEU 42 33.333% * 23.4537% (1.00 1.28 2.43) = 23.454% kept HB2 PHE 9 - QD2 LEU 42 33.333% * 0.0915% (0.25 0.02 0.02) = 0.091% Peak 2182 (5.37, 0.66, 25.04 ppm): 2 chemical-shift based assignments, quality = 0.975, support = 6.45, residual support = 146.5: T HA LEU 42 - QD2 LEU 42 50.000% * 85.1099% (0.98 10.00 6.95 171.06) = 85.110% kept HA THR 91 - QD2 LEU 42 50.000% * 14.8901% (0.95 1.00 3.63 5.99) = 14.890% kept Peak 2183 (3.09, 0.63, 26.33 ppm): 4 chemical-shift based assignments, quality = 0.933, support = 2.94, residual support = 16.4: HB2 PHE 92 - QD1 LEU 42 25.000% * 91.5527% (0.96 3.17 17.70) = 91.553% kept QB PHE 32 - QD1 LEU 42 25.000% * 7.9209% (0.65 0.41 2.43) = 7.921% kept HB2 PHE 9 - QD1 LEU 42 25.000% * 0.4341% (0.72 0.02 0.02) = 0.434% HB3 TRP 67 - QD1 LEU 42 25.000% * 0.0922% (0.15 0.02 0.02) = 0.092% Peak 2184 (3.39, 0.63, 26.33 ppm): 1 chemical-shift based assignment, quality = 0.799, support = 1.47, residual support = 2.89: QD ARG+ 53 - QD1 LEU 42 100.000% *100.0000% (0.80 1.47 2.89) = 100.000% kept Peak 2185 (5.38, 0.63, 26.33 ppm): 2 chemical-shift based assignments, quality = 0.966, support = 6.6, residual support = 152.8: T HA LEU 42 - QD1 LEU 42 50.000% * 88.9314% (0.96 10.00 7.12 171.06) = 88.931% kept HA THR 91 - QD1 LEU 42 50.000% * 11.0686% (0.99 1.00 2.42 5.99) = 11.069% kept Peak 2186 (5.48, 0.63, 26.33 ppm): 1 chemical-shift based assignment, quality = 0.525, support = 0.623, residual support = 6.59: HA TYR 86 - QD1 LEU 42 100.000% *100.0000% (0.52 0.62 6.59) = 100.000% kept Peak 2187 (0.83, 5.63, 54.04 ppm): 4 chemical-shift based assignments, quality = 0.303, support = 4.43, residual support = 97.7: T QD2 LEU 43 - HA LEU 43 25.000% * 78.8557% (0.17 10.00 5.46 123.88) = 78.856% kept QD1 ILE 14 - HA LEU 43 25.000% * 13.6881% (0.98 1.00 0.61 0.02) = 13.688% kept HG13 ILE 24 - HA LEU 43 25.000% * 6.5107% (0.52 1.00 0.55 0.02) = 6.511% kept QG2 VAL 40 - HA LEU 43 25.000% * 0.9455% (0.40 1.00 0.10 0.02) = 0.946% Peak 2189 (8.55, 1.81, 28.27 ppm): 9 chemical-shift based assignments, quality = 0.695, support = 2.23, residual support = 13.2: HN VAL 94 - HG LEU 42 11.111% * 46.5527% (0.49 3.64 26.40) = 46.553% kept HN PHE 9 - HG2 ARG+ 53 11.111% * 32.8301% (0.95 1.32 2.63) = 32.830% kept HN ASP- 73 - HG LEU 42 11.111% * 13.5680% (1.00 0.52 0.11) = 13.568% kept HN VAL 94 - HG2 ARG+ 53 11.111% * 4.5113% (0.49 0.35 0.02) = 4.511% kept HN PHE 9 - HG LEU 82 11.111% * 1.4623% (0.06 0.87 0.02) = 1.462% kept HN ASP- 73 - HG2 ARG+ 53 11.111% * 0.5257% (1.00 0.02 0.02) = 0.526% HN PHE 9 - HG LEU 42 11.111% * 0.4973% (0.94 0.02 0.02) = 0.497% HN ASP- 73 - HG LEU 82 11.111% * 0.0353% (0.07 0.02 0.02) = 0.035% HN VAL 94 - HG LEU 82 11.111% * 0.0172% (0.03 0.02 10.73) = 0.017% Peak 2190 (8.09, 1.81, 28.27 ppm): 12 chemical-shift based assignments, quality = 0.611, support = 1.8, residual support = 5.16: HN ASP- 89 - HG2 ARG+ 53 8.333% * 20.2479% (0.61 1.73 0.29) = 20.248% kept HN MET 54 - HG2 ARG+ 53 8.333% * 19.0565% (0.20 4.99 19.87) = 19.056% kept HN LEU 22 - HG LEU 42 8.333% * 13.6855% (0.72 0.98 4.50) = 13.686% kept HN ARG+ 48 - HG LEU 42 8.333% * 12.6566% (0.87 0.75 0.02) = 12.657% kept HN LEU 22 - HG2 ARG+ 53 8.333% * 12.1206% (0.73 0.86 2.84) = 12.121% kept HN ARG+ 48 - HG2 ARG+ 53 8.333% * 11.6216% (0.87 0.69 0.85) = 11.622% kept HN ASP- 89 - HG LEU 42 8.333% * 8.3781% (0.61 0.72 0.02) = 8.378% kept HN LEU 22 - HG LEU 82 8.333% * 1.4937% (0.05 1.59 16.86) = 1.494% kept HN MET 54 - HG LEU 42 8.333% * 0.6960% (0.20 0.18 0.26) = 0.696% HN ARG+ 48 - HG LEU 82 8.333% * 0.0226% (0.06 0.02 0.02) = 0.023% HN ASP- 89 - HG LEU 82 8.333% * 0.0157% (0.04 0.02 0.02) = 0.016% HN MET 54 - HG LEU 82 8.333% * 0.0051% (0.01 0.02 0.61) = 0.005% Peak 2191 (8.79, 1.81, 28.27 ppm): 6 chemical-shift based assignments, quality = 0.944, support = 4.87, residual support = 54.9: HN ARG+ 53 - HG2 ARG+ 53 16.667% * 82.6823% (0.98 5.69 65.93) = 82.682% kept HN ARG+ 53 - HG LEU 42 16.667% * 13.0186% (0.98 0.90 2.89) = 13.019% kept HN THR 64 - HG2 ARG+ 53 16.667% * 3.6617% (0.18 1.41 0.75) = 3.662% kept HN THR 64 - HG LEU 42 16.667% * 0.6144% (0.17 0.24 0.02) = 0.614% HN ARG+ 53 - HG LEU 82 16.667% * 0.0195% (0.07 0.02 0.02) = 0.020% HN THR 64 - HG LEU 82 16.667% * 0.0035% (0.01 0.02 9.79) = 0.003% Peak 2192 (9.59, 1.81, 28.27 ppm): 12 chemical-shift based assignments, quality = 0.508, support = 3.92, residual support = 78.3: HN LEU 42 - HG LEU 42 8.333% * 44.0525% (0.49 6.16 171.06) = 44.053% kept HN TYR 86 - HG LEU 42 8.333% * 21.8605% (0.69 2.16 6.59) = 21.861% kept HN TYR 93 - HG LEU 42 8.333% * 19.3665% (0.45 2.94 7.02) = 19.366% kept HN ILE 85 - HG LEU 42 8.333% * 6.5497% (0.25 1.79 1.59) = 6.550% kept HN TYR 93 - HG2 ARG+ 53 8.333% * 5.6079% (0.45 0.85 0.13) = 5.608% kept HN TYR 86 - HG2 ARG+ 53 8.333% * 2.3089% (0.69 0.23 0.02) = 2.309% kept HN LEU 42 - HG2 ARG+ 53 8.333% * 0.1435% (0.49 0.02 2.89) = 0.143% HN ILE 85 - HG2 ARG+ 53 8.333% * 0.0735% (0.25 0.02 0.02) = 0.073% HN TYR 86 - HG LEU 82 8.333% * 0.0136% (0.05 0.02 0.02) = 0.014% HN LEU 42 - HG LEU 82 8.333% * 0.0096% (0.03 0.02 0.21) = 0.010% HN TYR 93 - HG LEU 82 8.333% * 0.0089% (0.03 0.02 0.02) = 0.009% HN ILE 85 - HG LEU 82 8.333% * 0.0049% (0.02 0.02 0.02) = 0.005% Peak 2193 (9.60, 1.22, 42.50 ppm): 4 chemical-shift based assignments, quality = 0.458, support = 4.82, residual support = 98.8: O HN LEU 42 - HB3 LEU 42 25.000% * 56.2930% (0.28 10.0 6.36 171.06) = 56.293% kept HN TYR 86 - HB3 LEU 42 25.000% * 27.5075% (0.89 1.0 3.03 6.59) = 27.507% kept HN TYR 93 - HB3 LEU 42 25.000% * 8.2241% (0.25 1.0 3.26 7.02) = 8.224% kept HN ILE 85 - HB3 LEU 42 25.000% * 7.9754% (0.45 1.0 1.76 1.59) = 7.975% kept Peak 2194 (9.61, 2.20, 42.50 ppm): 2 chemical-shift based assignments, quality = 0.899, support = 2.04, residual support = 4.89: HN TYR 86 - HB2 LEU 42 50.000% * 65.9093% (0.99 2.26 6.59) = 65.909% kept HN ILE 85 - HB2 LEU 42 50.000% * 34.0907% (0.72 1.61 1.59) = 34.091% kept Peak 2195 (5.68, 2.20, 42.50 ppm): 1 chemical-shift based assignment, quality = 0.196, support = 0.162, residual support = 0.162: HA SER 49 - HB2 LEU 42 100.000% *100.0000% (0.20 0.16 0.16) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2196 (6.12, 0.63, 26.33 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2197 (6.58, 0.63, 26.33 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2198 (6.79, 0.63, 26.33 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2199 (7.02, 0.63, 26.33 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2200 (6.12, 0.66, 25.04 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2201 (6.59, 0.66, 25.04 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2202 (6.79, 0.66, 25.04 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2203 (7.01, 0.66, 25.04 ppm): 1 chemical-shift based assignment, quality = 0.198, support = 1.09, residual support = 2.92: HE ARG+ 90 - QD2 LEU 42 100.000% *100.0000% (0.20 1.09 2.92) = 100.000% kept Not enough quality. Peak unassigned. Peak 2204 (7.12, 0.66, 25.04 ppm): 2 chemical-shift based assignments, quality = 0.341, support = 1.4, residual support = 2.39: HN PHE 32 - QD2 LEU 42 50.000% * 98.6061% (0.34 1.41 2.43) = 98.606% kept HD22 ASN 69 - QD2 LEU 42 50.000% * 1.3939% (0.34 0.02 0.02) = 1.394% kept Peak 2205 (9.30, 0.66, 25.04 ppm): 1 chemical-shift based assignment, quality = 0.341, support = 3.62, residual support = 42.7: HN LEU 43 - QD2 LEU 42 100.000% *100.0000% (0.34 3.62 42.74) = 100.000% kept Peak 2206 (9.60, 0.66, 25.04 ppm): 4 chemical-shift based assignments, quality = 0.528, support = 4.34, residual support = 54.7: HN TYR 86 - QD2 LEU 42 25.000% * 37.3224% (0.90 2.75 6.59) = 37.322% kept HN LEU 42 - QD2 LEU 42 25.000% * 29.6267% (0.28 7.03 171.06) = 29.627% kept HN TYR 93 - QD2 LEU 42 25.000% * 18.8000% (0.25 4.98 7.02) = 18.800% kept HN ILE 85 - QD2 LEU 42 25.000% * 14.2508% (0.45 2.10 1.59) = 14.251% kept Peak 2207 (9.51, 0.66, 25.04 ppm): 2 chemical-shift based assignments, quality = 0.927, support = 2.0, residual support = 15.3: HN PHE 92 - QD2 LEU 42 50.000% * 86.2331% (0.97 2.24 17.70) = 86.233% kept HN TRP 67 - QD2 LEU 42 50.000% * 13.7669% (0.69 0.50 0.02) = 13.767% kept Peak 2208 (9.60, 0.63, 26.33 ppm): 4 chemical-shift based assignments, quality = 0.587, support = 4.3, residual support = 48.5: HN TYR 86 - QD1 LEU 42 25.000% * 47.1842% (0.89 3.75 6.59) = 47.184% kept HN LEU 42 - QD1 LEU 42 25.000% * 25.8325% (0.28 6.62 171.06) = 25.832% kept HN TYR 93 - QD1 LEU 42 25.000% * 13.7337% (0.25 3.93 7.02) = 13.734% kept HN ILE 85 - QD1 LEU 42 25.000% * 13.2496% (0.45 2.11 1.59) = 13.250% kept Peak 2209 (8.03, 5.63, 54.04 ppm): 4 chemical-shift based assignments, quality = 0.864, support = 2.9, residual support = 6.84: HN PHE 28 - HA LEU 43 25.000% * 42.7769% (0.96 3.11 7.44) = 42.777% kept HN ASP- 87 - HA LEU 43 25.000% * 37.3566% (0.93 2.82 6.06) = 37.357% kept HN ARG+ 48 - HA LEU 43 25.000% * 19.7966% (0.54 2.58 7.06) = 19.797% kept HN LEU 26 - HA LEU 43 25.000% * 0.0699% (0.24 0.02 0.02) = 0.070% Peak 2210 (9.33, 5.63, 54.04 ppm): 1 chemical-shift based assignment, quality = 0.218, support = 0.566, residual support = 5.11: HN VAL 61 - HA LEU 43 100.000% *100.0000% (0.22 0.57 5.11) = 100.000% kept Peak 2211 (6.70, 1.67, 45.82 ppm): 1 chemical-shift based assignment, quality = 0.879, support = 0.02, residual support = 0.134: HD22 ASN 75 - HB2 LEU 43 100.000% *100.0000% (0.88 0.02 0.13) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2212 (8.03, 1.67, 45.82 ppm): 4 chemical-shift based assignments, quality = 0.866, support = 2.76, residual support = 6.84: HN PHE 28 - HB2 LEU 43 25.000% * 43.0304% (0.96 2.98 7.44) = 43.030% kept HN ASP- 87 - HB2 LEU 43 25.000% * 37.5476% (0.93 2.70 6.06) = 37.548% kept HN ARG+ 48 - HB2 LEU 43 25.000% * 19.3486% (0.54 2.40 7.06) = 19.349% kept HN LEU 26 - HB2 LEU 43 25.000% * 0.0734% (0.24 0.02 0.02) = 0.073% Peak 2213 (9.32, 1.67, 45.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2214 (0.23, 1.81, 28.27 ppm): 6 chemical-shift based assignments, quality = 0.363, support = 3.51, residual support = 16.2: QG2 VAL 94 - HG LEU 42 16.667% * 53.6771% (0.37 4.71 26.40) = 53.677% kept QD1 LEU 22 - HG LEU 42 16.667% * 30.8433% (0.37 2.70 4.50) = 30.843% kept QD1 LEU 22 - HG2 ARG+ 53 16.667% * 8.4262% (0.38 0.74 2.84) = 8.426% kept QG2 VAL 94 - HG2 ARG+ 53 16.667% * 3.6620% (0.38 0.32 0.02) = 3.662% kept QG2 VAL 94 - HG LEU 82 16.667% * 2.1135% (0.03 2.75 10.73) = 2.114% kept QD1 LEU 22 - HG LEU 82 16.667% * 1.2779% (0.03 1.67 16.86) = 1.278% kept Peak 2215 (0.61, 1.81, 28.27 ppm): 9 chemical-shift based assignments, quality = 0.74, support = 2.9, residual support = 63.2: T QD1 LEU 42 - HG2 ARG+ 53 11.111% * 36.2936% (0.69 1.0 10.00 2.23 2.89) = 36.294% kept O T QD1 LEU 42 - HG LEU 42 11.111% * 36.2131% (0.69 10.0 10.00 5.27 171.06) = 36.213% kept T QG2 ILE 24 - HG2 ARG+ 53 11.111% * 18.8077% (0.90 1.0 10.00 0.79 0.22) = 18.808% kept T QG2 ILE 24 - HG LEU 42 11.111% * 8.2098% (0.89 1.0 10.00 0.35 1.65) = 8.210% kept QD1 ILE 96 - HG2 ARG+ 53 11.111% * 0.3854% (0.61 1.0 1.00 0.24 0.02) = 0.385% QD1 ILE 96 - HG LEU 42 11.111% * 0.0320% (0.61 1.0 1.00 0.02 0.02) = 0.032% T QG2 ILE 24 - HG LEU 82 11.111% * 0.0318% (0.06 1.0 10.00 0.02 0.02) = 0.032% T QD1 LEU 42 - HG LEU 82 11.111% * 0.0244% (0.05 1.0 10.00 0.02 0.21) = 0.024% QD1 ILE 96 - HG LEU 82 11.111% * 0.0022% (0.04 1.0 1.00 0.02 0.33) = 0.002% Peak 2218 (1.20, 1.81, 28.27 ppm): 21 chemical-shift based assignments, quality = 0.622, support = 3.82, residual support = 106.8: O T HB3 LEU 42 - HG LEU 42 4.762% * 60.1360% (0.45 10.0 10.00 5.00 171.06) = 60.136% kept QE MET 54 - HG2 ARG+ 53 4.762% * 18.0504% (0.98 1.0 1.00 2.74 19.87) = 18.050% kept QG2 THR 39 - HG2 ARG+ 53 4.762% * 13.0664% (0.90 1.0 1.00 2.17 2.71) = 13.066% kept QG2 THR 4 - HG2 ARG+ 53 4.762% * 4.4020% (0.87 1.0 1.00 0.75 0.28) = 4.402% kept HG3 GLU- 23 - HG LEU 42 4.762% * 1.2485% (0.87 1.0 1.00 0.21 0.02) = 1.248% kept HG3 GLU- 23 - HG2 ARG+ 53 4.762% * 1.1084% (0.87 1.0 1.00 0.19 0.02) = 1.108% kept QE MET 54 - HG LEU 42 4.762% * 0.8743% (0.98 1.0 1.00 0.13 0.26) = 0.874% T HB3 LEU 42 - HG2 ARG+ 53 4.762% * 0.6027% (0.45 1.0 10.00 0.02 2.89) = 0.603% QG2 THR 39 - HG LEU 42 4.762% * 0.1203% (0.89 1.0 1.00 0.02 0.02) = 0.120% QG2 THR 4 - HG LEU 42 4.762% * 0.1164% (0.87 1.0 1.00 0.02 0.02) = 0.116% HD3 LYS+ 56 - HG2 ARG+ 53 4.762% * 0.0603% (0.45 1.0 1.00 0.02 0.02) = 0.060% HD3 LYS+ 56 - HG LEU 42 4.762% * 0.0601% (0.45 1.0 1.00 0.02 0.55) = 0.060% T HB3 LEU 42 - HG LEU 82 4.762% * 0.0405% (0.03 1.0 10.00 0.02 0.21) = 0.040% QG1 VAL 65 - HG2 ARG+ 53 4.762% * 0.0374% (0.28 1.0 1.00 0.02 1.28) = 0.037% QG1 VAL 65 - HG LEU 42 4.762% * 0.0373% (0.28 1.0 1.00 0.02 0.02) = 0.037% QE MET 54 - HG LEU 82 4.762% * 0.0088% (0.07 1.0 1.00 0.02 0.61) = 0.009% QG2 THR 39 - HG LEU 82 4.762% * 0.0081% (0.06 1.0 1.00 0.02 0.02) = 0.008% HG3 GLU- 23 - HG LEU 82 4.762% * 0.0078% (0.06 1.0 1.00 0.02 0.66) = 0.008% QG2 THR 4 - HG LEU 82 4.762% * 0.0078% (0.06 1.0 1.00 0.02 0.02) = 0.008% HD3 LYS+ 56 - HG LEU 82 4.762% * 0.0040% (0.03 1.0 1.00 0.02 0.72) = 0.004% QG1 VAL 65 - HG LEU 82 4.762% * 0.0025% (0.02 1.0 1.00 0.02 0.02) = 0.003% Peak 2220 (3.24, 1.81, 28.27 ppm): 3 chemical-shift based assignments, quality = 0.915, support = 0.908, residual support = 1.23: T HD2 ARG+ 88 - HG2 ARG+ 53 33.333% * 97.0102% (0.92 10.00 0.94 1.26) = 97.010% kept T HD2 ARG+ 88 - HG LEU 42 33.333% * 2.0692% (0.92 10.00 0.02 0.83) = 2.069% kept T HD2 ARG+ 88 - HG LEU 82 33.333% * 0.9206% (0.06 10.00 0.13 0.02) = 0.921% Peak 2221 (3.36, 1.81, 28.27 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2222 (5.38, 1.81, 28.27 ppm): 6 chemical-shift based assignments, quality = 0.964, support = 6.19, residual support = 154.9: O HA LEU 42 - HG LEU 42 16.667% * 90.2480% (0.96 10.0 6.64 171.06) = 90.248% kept HA THR 91 - HG LEU 42 16.667% * 9.5564% (0.99 1.0 2.06 5.99) = 9.556% kept HA THR 91 - HG2 ARG+ 53 16.667% * 0.0929% (0.99 1.0 0.02 0.02) = 0.093% HA LEU 42 - HG2 ARG+ 53 16.667% * 0.0904% (0.97 1.0 0.02 2.89) = 0.090% HA THR 91 - HG LEU 82 16.667% * 0.0062% (0.07 1.0 0.02 0.02) = 0.006% HA LEU 42 - HG LEU 82 16.667% * 0.0061% (0.06 1.0 0.02 0.21) = 0.006% Peak 2223 (0.85, 1.67, 45.82 ppm): 4 chemical-shift based assignments, quality = 0.845, support = 4.61, residual support = 120.2: O QD2 LEU 43 - HB2 LEU 43 25.000% * 97.0036% (0.85 10.0 4.74 123.88) = 97.004% kept QG2 VAL 40 - HB2 LEU 43 25.000% * 1.5813% (0.98 1.0 0.28 0.02) = 1.581% kept QD1 ILE 14 - HB2 LEU 43 25.000% * 1.3473% (0.37 1.0 0.64 0.02) = 1.347% kept QD1 ILE 95 - HB2 LEU 43 25.000% * 0.0678% (0.59 1.0 0.02 1.95) = 0.068% Peak 2224 (0.74, 1.67, 45.82 ppm): 4 chemical-shift based assignments, quality = 0.79, support = 3.73, residual support = 96.5: O QD1 LEU 43 - HB2 LEU 43 25.000% * 77.6665% (0.88 10.0 1.00 4.48 123.88) = 77.666% kept T QG2 VAL 71 - HB2 LEU 43 25.000% * 17.3461% (0.37 1.0 10.00 1.07 0.10) = 17.346% kept QG1 VAL 61 - HB2 LEU 43 25.000% * 4.9314% (0.88 1.0 1.00 1.27 5.11) = 4.931% kept QG1 ILE 96 - HB2 LEU 43 25.000% * 0.0560% (0.63 1.0 1.00 0.02 0.02) = 0.056% Peak 2225 (1.16, 1.62, 28.59 ppm): 5 chemical-shift based assignments, quality = 0.849, support = 5.2, residual support = 112.3: O HB3 LEU 43 - HG LEU 43 20.000% * 90.3154% (0.89 10.0 1.00 5.70 123.88) = 90.315% kept T HD3 LYS+ 56 - HG LEU 43 20.000% * 6.4140% (0.20 1.0 10.00 0.64 3.51) = 6.414% kept HG3 ARG+ 48 - HG LEU 43 20.000% * 2.8723% (0.99 1.0 1.00 0.58 7.06) = 2.872% kept HG3 ARG+ 88 - HG LEU 43 20.000% * 0.3291% (0.45 1.0 1.00 0.15 0.02) = 0.329% QG2 VAL 65 - HG LEU 43 20.000% * 0.0692% (0.69 1.0 1.00 0.02 0.02) = 0.069% Peak 2226 (0.85, 1.62, 28.59 ppm): 4 chemical-shift based assignments, quality = 0.852, support = 5.64, residual support = 121.0: O T QD2 LEU 43 - HG LEU 43 25.000% * 97.6938% (0.87 10.0 10.00 5.76 123.88) = 97.694% kept QD1 ILE 14 - HG LEU 43 25.000% * 1.6626% (0.37 1.0 1.00 0.79 0.02) = 1.663% kept QG2 VAL 40 - HG LEU 43 25.000% * 0.5753% (1.00 1.0 1.00 0.10 0.02) = 0.575% QD1 ILE 95 - HG LEU 43 25.000% * 0.0683% (0.61 1.0 1.00 0.02 1.95) = 0.068% Peak 2227 (0.74, 1.62, 28.59 ppm): 4 chemical-shift based assignments, quality = 0.672, support = 5.1, residual support = 114.4: O T QD1 LEU 43 - HG LEU 43 25.000% * 92.1033% (0.65 10.0 10.00 5.47 123.88) = 92.103% kept QG1 VAL 61 - HG LEU 43 25.000% * 6.5949% (1.00 1.0 1.00 0.93 5.11) = 6.595% kept T QG1 ILE 96 - HG LEU 43 25.000% * 1.2769% (0.89 1.0 10.00 0.02 0.02) = 1.277% kept QG2 VAL 71 - HG LEU 43 25.000% * 0.0249% (0.17 1.0 1.00 0.02 0.10) = 0.025% Peak 2228 (0.85, 1.16, 45.82 ppm): 4 chemical-shift based assignments, quality = 0.838, support = 5.18, residual support = 117.3: O QD2 LEU 43 - HB3 LEU 43 25.000% * 94.6385% (0.86 10.0 5.42 123.88) = 94.638% kept QD1 ILE 95 - HB3 LEU 43 25.000% * 2.8888% (0.60 1.0 0.87 1.95) = 2.889% kept QD1 ILE 14 - HB3 LEU 43 25.000% * 1.9154% (0.37 1.0 0.94 0.02) = 1.915% kept QG2 VAL 40 - HB3 LEU 43 25.000% * 0.5573% (0.99 1.0 0.10 0.02) = 0.557% Peak 2229 (0.74, 1.16, 45.82 ppm): 4 chemical-shift based assignments, quality = 0.888, support = 3.6, residual support = 74.5: O QD1 LEU 43 - HB3 LEU 43 25.000% * 58.4312% (0.89 10.0 1.00 5.15 123.88) = 58.431% kept T QG1 VAL 61 - HB3 LEU 43 25.000% * 41.5022% (0.89 1.0 10.00 1.42 5.11) = 41.502% kept QG1 ILE 96 - HB3 LEU 43 25.000% * 0.0421% (0.64 1.0 1.00 0.02 0.02) = 0.042% QG2 VAL 71 - HB3 LEU 43 25.000% * 0.0245% (0.37 1.0 1.00 0.02 0.10) = 0.024% Peak 2230 (5.29, 1.16, 45.82 ppm): 3 chemical-shift based assignments, quality = 0.826, support = 1.75, residual support = 4.04: HA TYR 93 - HB3 LEU 43 33.333% * 79.9260% (0.89 2.05 4.95) = 79.926% kept HA PHE 62 - HB3 LEU 43 33.333% * 14.6511% (0.48 0.69 0.50) = 14.651% kept HA VAL 52 - HB3 LEU 43 33.333% * 5.4229% (0.83 0.15 0.24) = 5.423% kept Peak 2232 (3.51, 1.62, 28.59 ppm): 5 chemical-shift based assignments, quality = 0.5, support = 2.4, residual support = 13.1: T QB SER 49 - HG LEU 43 20.000% * 85.8470% (0.45 10.00 2.69 15.25) = 85.847% kept HA GLU- 23 - HG LEU 43 20.000% * 7.4058% (0.89 1.00 0.86 0.02) = 7.406% kept HA LEU 76 - HG LEU 43 20.000% * 4.4262% (0.76 1.00 0.60 0.23) = 4.426% kept HB3 SER 15 - HG LEU 43 20.000% * 2.2492% (0.72 1.00 0.32 0.02) = 2.249% kept HD3 PRO 37 - HG LEU 43 20.000% * 0.0719% (0.37 1.00 0.02 0.02) = 0.072% Peak 2233 (5.35, 1.62, 28.59 ppm): 2 chemical-shift based assignments, quality = 0.292, support = 5.41, residual support = 33.3: HA LEU 42 - HG LEU 43 50.000% * 72.4788% (0.31 6.33 42.74) = 72.479% kept HA THR 91 - HG LEU 43 50.000% * 27.5212% (0.25 2.98 8.25) = 27.521% kept Peak 2234 (5.63, 1.62, 28.59 ppm): 1 chemical-shift based assignment, quality = 0.989, support = 5.8, residual support = 123.9: O HA LEU 43 - HG LEU 43 100.000% *100.0000% (0.99 10.0 5.80 123.88) = 100.000% kept Peak 2235 (1.61, 0.75, 25.68 ppm): 6 chemical-shift based assignments, quality = 0.684, support = 5.09, residual support = 115.5: O T HG LEU 43 - QD1 LEU 43 16.667% * 92.5579% (0.69 10.0 10.00 5.47 123.88) = 92.558% kept HB VAL 94 - QD1 LEU 43 16.667% * 2.5391% (0.80 1.0 1.00 0.47 32.51) = 2.539% kept QG LYS+ 80 - QD1 LEU 43 16.667% * 2.3025% (0.65 1.0 1.00 0.53 0.02) = 2.303% kept QG ARG+ 90 - QD1 LEU 43 16.667% * 1.3506% (0.34 1.0 1.00 0.59 0.18) = 1.351% kept T HB ILE 96 - QD1 LEU 43 16.667% * 1.1255% (0.83 1.0 10.00 0.02 0.02) = 1.125% kept QB LEU 26 - QD1 LEU 43 16.667% * 0.1244% (0.92 1.0 1.00 0.02 0.02) = 0.124% Peak 2236 (2.56, 0.75, 25.68 ppm): 7 chemical-shift based assignments, quality = 0.963, support = 2.43, residual support = 2.61: T HE2 LYS+ 56 - QD1 LEU 43 14.286% * 50.5967% (0.99 10.00 2.93 3.51) = 50.597% kept T HB3 TYR 81 - QD1 LEU 43 14.286% * 47.6215% (0.94 10.00 1.97 1.75) = 47.622% kept HB3 PHE 13 - QD1 LEU 43 14.286% * 1.5735% (0.87 1.00 0.71 0.02) = 1.574% kept T HB3 ASP- 41 - QD1 LEU 43 14.286% * 0.1419% (0.28 10.00 0.02 2.71) = 0.142% HG3 MET 1 - QD1 LEU 43 14.286% * 0.0493% (0.96 1.00 0.02 0.02) = 0.049% HB3 ASN 75 - QD1 LEU 43 14.286% * 0.0101% (0.20 1.00 0.02 0.13) = 0.010% HD3 PRO 35 - QD1 LEU 43 14.286% * 0.0069% (0.14 1.00 0.02 0.02) = 0.007% Peak 2237 (3.51, 0.75, 25.68 ppm): 5 chemical-shift based assignments, quality = 0.479, support = 2.91, residual support = 13.8: T QB SER 49 - QD1 LEU 43 20.000% * 90.2121% (0.45 10.00 3.17 15.25) = 90.212% kept HA GLU- 23 - QD1 LEU 43 20.000% * 6.4067% (0.89 1.00 0.71 0.02) = 6.407% kept HA LEU 76 - QD1 LEU 43 20.000% * 2.3776% (0.76 1.00 0.31 0.23) = 2.378% kept HB3 SER 15 - QD1 LEU 43 20.000% * 0.9281% (0.72 1.00 0.13 0.02) = 0.928% HD3 PRO 37 - QD1 LEU 43 20.000% * 0.0755% (0.37 1.00 0.02 0.02) = 0.076% Peak 2238 (4.77, 0.75, 25.68 ppm): 3 chemical-shift based assignments, quality = 0.606, support = 1.13, residual support = 2.18: HA LYS+ 55 - QD1 LEU 43 33.333% * 96.6961% (0.61 1.17 2.24) = 96.696% kept HA THR 64 - QD1 LEU 43 33.333% * 1.8709% (0.69 0.02 0.54) = 1.871% kept HA ILE 85 - QD1 LEU 43 33.333% * 1.4330% (0.52 0.02 0.26) = 1.433% kept Peak 2239 (5.35, 0.75, 25.68 ppm): 2 chemical-shift based assignments, quality = 0.295, support = 6.57, residual support = 34.9: HA LEU 42 - QD1 LEU 43 50.000% * 77.3109% (0.31 7.68 42.74) = 77.311% kept HA THR 91 - QD1 LEU 43 50.000% * 22.6891% (0.25 2.79 8.25) = 22.689% kept Peak 2240 (5.63, 0.75, 25.68 ppm): 1 chemical-shift based assignment, quality = 0.944, support = 5.18, residual support = 123.9: HA LEU 43 - QD1 LEU 43 100.000% *100.0000% (0.94 5.18 123.88) = 100.000% kept Peak 2241 (0.74, 0.86, 25.04 ppm): 4 chemical-shift based assignments, quality = 0.662, support = 5.54, residual support = 118.3: O T QD1 LEU 43 - QD2 LEU 43 25.000% * 95.3463% (0.65 10.0 10.00 5.79 123.88) = 95.346% kept QG1 VAL 61 - QD2 LEU 43 25.000% * 4.4957% (1.00 1.0 1.00 0.61 5.11) = 4.496% kept QG1 ILE 96 - QD2 LEU 43 25.000% * 0.1322% (0.90 1.0 1.00 0.02 0.02) = 0.132% QG2 VAL 71 - QD2 LEU 43 25.000% * 0.0258% (0.18 1.0 1.00 0.02 0.10) = 0.026% Peak 2242 (0.85, 0.75, 25.68 ppm): 4 chemical-shift based assignments, quality = 0.862, support = 5.56, residual support = 118.5: O T QD2 LEU 43 - QD1 LEU 43 25.000% * 95.6276% (0.87 10.0 10.00 5.79 123.88) = 95.628% kept QG2 VAL 40 - QD1 LEU 43 25.000% * 2.9256% (1.00 1.0 1.00 0.53 0.02) = 2.926% kept QD1 ILE 14 - QD1 LEU 43 25.000% * 1.3799% (0.37 1.0 1.00 0.67 0.02) = 1.380% kept QD1 ILE 95 - QD1 LEU 43 25.000% * 0.0669% (0.61 1.0 1.00 0.02 1.95) = 0.067% Peak 2243 (0.96, 0.75, 25.68 ppm): 7 chemical-shift based assignments, quality = 0.931, support = 1.34, residual support = 4.49: HG3 LYS+ 56 - QD1 LEU 43 14.286% * 44.9157% (0.98 2.02 3.51) = 44.916% kept HB3 ARG+ 48 - QD1 LEU 43 14.286% * 19.9271% (0.87 1.01 7.06) = 19.927% kept QD2 LEU 82 - QD1 LEU 43 14.286% * 17.6427% (1.00 0.78 8.35) = 17.643% kept QG2 VAL 52 - QD1 LEU 43 14.286% * 13.3968% (0.92 0.64 0.24) = 13.397% kept QG2 ILE 14 - QD1 LEU 43 14.286% * 1.8172% (0.96 0.08 0.02) = 1.817% kept QG2 THR 64 - QD1 LEU 43 14.286% * 1.6369% (0.17 0.41 0.54) = 1.637% kept QG2 ILE 85 - QD1 LEU 43 14.286% * 0.6636% (0.37 0.08 0.26) = 0.664% Peak 2244 (1.61, 0.86, 25.04 ppm): 6 chemical-shift based assignments, quality = 0.897, support = 5.43, residual support = 116.9: O T HG LEU 43 - QD2 LEU 43 16.667% * 92.5736% (0.90 10.0 10.00 5.76 123.88) = 92.574% kept HB VAL 94 - QD2 LEU 43 16.667% * 6.8948% (0.97 1.0 1.00 1.38 32.51) = 6.895% kept HB ILE 96 - QD2 LEU 43 16.667% * 0.3961% (0.98 1.0 1.00 0.08 0.02) = 0.396% QB LEU 26 - QD2 LEU 43 16.667% * 0.0750% (0.73 1.0 1.00 0.02 0.02) = 0.075% QG LYS+ 80 - QD2 LEU 43 16.667% * 0.0424% (0.41 1.0 1.00 0.02 0.02) = 0.042% QG ARG+ 90 - QD2 LEU 43 16.667% * 0.0181% (0.18 1.0 1.00 0.02 0.18) = 0.018% Peak 2245 (2.57, 0.86, 25.04 ppm): 6 chemical-shift based assignments, quality = 0.782, support = 1.18, residual support = 2.39: HE2 LYS+ 56 - QD2 LEU 43 16.667% * 42.2662% (0.97 1.11 3.51) = 42.266% kept HB3 TYR 81 - QD2 LEU 43 16.667% * 29.6391% (0.76 0.98 1.75) = 29.639% kept HB3 ASP- 41 - QD2 LEU 43 16.667% * 14.3035% (0.14 2.67 2.71) = 14.303% kept HB3 PHE 13 - QD2 LEU 43 16.667% * 12.9374% (0.99 0.33 0.02) = 12.937% kept HG3 MET 1 - QD2 LEU 43 16.667% * 0.6338% (0.80 0.02 0.02) = 0.634% HD3 PRO 35 - QD2 LEU 43 16.667% * 0.2201% (0.28 0.02 0.02) = 0.220% Peak 2246 (3.51, 0.86, 25.04 ppm): 5 chemical-shift based assignments, quality = 0.473, support = 3.81, residual support = 13.8: T QB SER 49 - QD2 LEU 43 20.000% * 90.3968% (0.45 10.00 4.17 15.25) = 90.397% kept HA GLU- 23 - QD2 LEU 43 20.000% * 4.0864% (0.90 1.00 0.45 0.02) = 4.086% kept HA LEU 76 - QD2 LEU 43 20.000% * 3.4668% (0.76 1.00 0.45 0.23) = 3.467% kept HD3 PRO 37 - QD2 LEU 43 20.000% * 1.1200% (0.38 1.00 0.30 0.02) = 1.120% kept HB3 SER 15 - QD2 LEU 43 20.000% * 0.9300% (0.73 1.00 0.13 0.02) = 0.930% Peak 2247 (5.35, 0.86, 25.04 ppm): 2 chemical-shift based assignments, quality = 0.299, support = 6.6, residual support = 37.4: HA LEU 42 - QD2 LEU 43 50.000% * 84.4482% (0.31 7.50 42.74) = 84.448% kept HA THR 91 - QD2 LEU 43 50.000% * 15.5518% (0.25 1.71 8.25) = 15.552% kept Peak 2248 (5.63, 0.86, 25.04 ppm): 1 chemical-shift based assignment, quality = 0.946, support = 5.46, residual support = 123.9: T HA LEU 43 - QD2 LEU 43 100.000% *100.0000% (0.95 10.00 5.46 123.88) = 100.000% kept Peak 2249 (6.66, 0.75, 25.68 ppm): 1 chemical-shift based assignment, quality = 0.998, support = 0.987, residual support = 2.91: HE22 GLN 8 - QD1 LEU 43 100.000% *100.0000% (1.00 0.99 2.91) = 100.000% kept Peak 2250 (6.78, 0.75, 25.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2251 (8.05, 0.75, 25.68 ppm): 4 chemical-shift based assignments, quality = 0.728, support = 3.43, residual support = 6.76: HN ARG+ 48 - QD1 LEU 43 25.000% * 40.8613% (0.76 4.45 7.06) = 40.861% kept HN ASP- 87 - QD1 LEU 43 25.000% * 31.4488% (0.87 3.00 6.06) = 31.449% kept HN PHE 28 - QD1 LEU 43 25.000% * 18.9276% (0.56 2.77 7.44) = 18.928% kept HN MET 54 - QD1 LEU 43 25.000% * 8.7623% (0.45 1.62 6.40) = 8.762% kept Peak 2252 (9.31, 0.75, 25.68 ppm): 1 chemical-shift based assignment, quality = 0.175, support = 6.56, residual support = 123.9: HN LEU 43 - QD1 LEU 43 100.000% *100.0000% (0.17 6.56 123.88) = 100.000% kept Peak 2253 (9.55, 0.75, 25.68 ppm): 2 chemical-shift based assignments, quality = 0.348, support = 4.96, residual support = 34.4: HN LEU 42 - QD1 LEU 43 50.000% * 77.8349% (0.34 5.93 42.74) = 77.835% kept HN TYR 93 - QD1 LEU 43 50.000% * 22.1651% (0.37 1.53 4.95) = 22.165% kept Peak 2254 (9.70, 0.75, 25.68 ppm): 1 chemical-shift based assignment, quality = 0.998, support = 1.51, residual support = 4.61: HN TRP 50 - QD1 LEU 43 100.000% *100.0000% (1.00 1.51 4.61) = 100.000% kept Peak 2255 (6.66, 0.86, 25.04 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 1.8, residual support = 2.91: HE22 GLN 8 - QD2 LEU 43 100.000% *100.0000% (1.00 1.80 2.91) = 100.000% kept Peak 2256 (6.79, 0.86, 25.04 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2257 (8.05, 0.86, 25.04 ppm): 6 chemical-shift based assignments, quality = 0.695, support = 3.85, residual support = 6.68: HN ARG+ 48 - QD2 LEU 43 16.667% * 52.4093% (0.86 4.76 7.06) = 52.409% kept HN ASP- 87 - QD2 LEU 43 16.667% * 24.7913% (0.61 3.19 6.06) = 24.791% kept HN PHE 28 - QD2 LEU 43 16.667% * 14.0988% (0.31 3.57 7.44) = 14.099% kept HN MET 54 - QD2 LEU 43 16.667% * 6.2263% (0.73 0.67 6.40) = 6.226% kept HN LEU 22 - QD2 LEU 43 16.667% * 2.4031% (0.20 0.95 1.53) = 2.403% kept HN ASP- 89 - QD2 LEU 43 16.667% * 0.0712% (0.28 0.02 1.18) = 0.071% Peak 2258 (9.32, 0.86, 25.04 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2259 (9.57, 0.86, 25.04 ppm): 2 chemical-shift based assignments, quality = 0.846, support = 4.85, residual support = 30.1: HN LEU 42 - QD2 LEU 43 50.000% * 66.5089% (0.84 5.86 42.74) = 66.509% kept HN TYR 93 - QD2 LEU 43 50.000% * 33.4911% (0.87 2.84 4.95) = 33.491% kept Peak 2260 (9.70, 0.86, 25.04 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 2.26, residual support = 4.61: HN TRP 50 - QD2 LEU 43 100.000% *100.0000% (1.00 2.26 4.61) = 100.000% kept Peak 2261 (8.04, 1.62, 28.59 ppm): 4 chemical-shift based assignments, quality = 0.816, support = 3.61, residual support = 6.82: HN ASP- 87 - HG LEU 43 25.000% * 35.1900% (0.99 3.22 6.06) = 35.190% kept HN PHE 28 - HG LEU 43 25.000% * 33.4084% (0.80 3.79 7.44) = 33.408% kept HN ARG+ 48 - HG LEU 43 25.000% * 29.6133% (0.66 4.05 7.06) = 29.613% kept HN MET 54 - HG LEU 43 25.000% * 1.7883% (0.25 0.65 6.40) = 1.788% kept Peak 2262 (9.32, 1.62, 28.59 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2263 (9.61, 1.62, 28.59 ppm): 3 chemical-shift based assignments, quality = 0.919, support = 0.854, residual support = 0.462: HN TYR 86 - HG LEU 43 33.333% * 58.3299% (0.92 0.97 0.61) = 58.330% kept HN ILE 85 - HG LEU 43 33.333% * 41.4426% (0.92 0.69 0.26) = 41.443% kept HN VAL 52 - HG LEU 43 33.333% * 0.2275% (0.17 0.02 0.24) = 0.227% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2264 (6.80, 1.16, 45.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2265 (8.03, 1.16, 45.82 ppm): 4 chemical-shift based assignments, quality = 0.875, support = 2.75, residual support = 6.84: HN PHE 28 - HB3 LEU 43 25.000% * 43.0293% (0.97 2.97 7.44) = 43.029% kept HN ASP- 87 - HB3 LEU 43 25.000% * 37.5372% (0.94 2.69 6.06) = 37.537% kept HN ARG+ 48 - HB3 LEU 43 25.000% * 19.3598% (0.54 2.39 7.06) = 19.360% kept HN LEU 26 - HB3 LEU 43 25.000% * 0.0736% (0.25 0.02 0.02) = 0.074% Peak 2266 (8.59, 1.16, 45.82 ppm): 1 chemical-shift based assignment, quality = 0.276, support = 4.57, residual support = 32.5: HN VAL 94 - HB3 LEU 43 100.000% *100.0000% (0.28 4.57 32.51) = 100.000% kept Peak 2267 (9.32, 1.16, 45.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2268 (9.49, 1.16, 45.82 ppm): 3 chemical-shift based assignments, quality = 0.599, support = 0.8, residual support = 2.98: HN PHE 92 - HB3 LEU 43 33.333% * 86.4774% (0.56 0.91 3.43) = 86.477% kept HN TRP 67 - HB3 LEU 43 33.333% * 11.7635% (0.89 0.08 0.02) = 11.763% kept HN LYS+ 11 - HB3 LEU 43 33.333% * 1.7592% (0.52 0.02 0.52) = 1.759% kept Peak 2269 (8.09, 4.38, 45.55 ppm): 4 chemical-shift based assignments, quality = 0.882, support = 2.71, residual support = 5.32: O HN ARG+ 48 - HA1 GLY 47 25.000% * 96.0339% (0.89 10.0 2.81 5.53) = 96.034% kept HN ASP- 89 - HA1 GLY 47 25.000% * 2.2470% (0.74 1.0 0.56 0.15) = 2.247% kept HN LEU 22 - HA1 GLY 47 25.000% * 1.6869% (0.84 1.0 0.37 0.02) = 1.687% kept HN MET 54 - HA1 GLY 47 25.000% * 0.0323% (0.30 1.0 0.02 0.36) = 0.032% Peak 2270 (8.09, 3.75, 45.55 ppm): 4 chemical-shift based assignments, quality = 0.881, support = 3.02, residual support = 5.11: O HN ARG+ 48 - HA2 GLY 47 25.000% * 92.0658% (0.90 10.0 3.20 5.53) = 92.066% kept HN ASP- 89 - HA2 GLY 47 25.000% * 4.2208% (0.75 1.0 1.10 0.15) = 4.221% kept HN MET 54 - HA2 GLY 47 25.000% * 2.0962% (0.30 1.0 1.36 0.36) = 2.096% kept HN LEU 22 - HA2 GLY 47 25.000% * 1.6172% (0.85 1.0 0.37 0.02) = 1.617% kept Peak 2271 (8.44, 3.75, 45.55 ppm): 4 chemical-shift based assignments, quality = 0.511, support = 0.992, residual support = 4.75: O HN GLY 47 - HA2 GLY 47 25.000% * 99.1670% (0.52 10.0 1.00 4.79) = 99.167% kept HN THR 91 - HA2 GLY 47 25.000% * 0.4455% (0.27 1.0 0.09 0.02) = 0.445% HN PHE 36 - HA2 GLY 47 25.000% * 0.2589% (0.67 1.0 0.02 0.02) = 0.259% HN GLU- 23 - HA2 GLY 47 25.000% * 0.1286% (0.33 1.0 0.02 0.02) = 0.129% Peak 2272 (7.27, 4.07, 56.87 ppm): 2 chemical-shift based assignments, quality = 0.794, support = 5.66, residual support = 42.2: O HN SER 49 - HA ARG+ 48 50.000% * 89.7447% (0.79 10.0 6.05 46.19) = 89.745% kept HN ILE 14 - HA ARG+ 48 50.000% * 10.2553% (0.79 1.0 2.29 6.85) = 10.255% kept Peak 2273 (7.46, 4.07, 56.87 ppm): 8 chemical-shift based assignments, quality = 0.75, support = 0.309, residual support = 0.105: HN GLU- 30 - HA ARG+ 48 12.500% * 59.4591% (0.99 0.32 0.15) = 59.459% kept HN LYS+ 60 - HA ARG+ 48 12.500% * 15.4966% (0.13 0.61 0.02) = 15.497% kept HN TYR 31 - HA ARG+ 48 12.500% * 13.5603% (0.44 0.16 0.02) = 13.560% kept HE21 GLN 8 - HA ARG+ 48 12.500% * 3.6014% (0.96 0.02 0.02) = 3.601% kept HN LEU 76 - HA ARG+ 48 12.500% * 2.9882% (0.79 0.02 0.02) = 2.988% kept HN VAL 71 - HA ARG+ 48 12.500% * 2.5634% (0.68 0.02 0.33) = 2.563% kept HD21 ASN 75 - HA ARG+ 48 12.500% * 1.4006% (0.37 0.02 0.02) = 1.401% kept HN THR 39 - HA ARG+ 48 12.500% * 0.9305% (0.25 0.02 0.50) = 0.931% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2274 (8.08, 4.07, 56.87 ppm): 4 chemical-shift based assignments, quality = 0.933, support = 6.46, residual support = 180.0: O HN ARG+ 48 - HA ARG+ 48 25.000% * 83.8776% (0.96 10.0 7.34 213.94) = 83.878% kept HN ASP- 89 - HA ARG+ 48 25.000% * 6.6061% (0.94 1.0 1.62 2.79) = 6.606% kept HN MET 54 - HA ARG+ 48 25.000% * 6.2911% (0.52 1.0 2.77 5.85) = 6.291% kept HN LEU 22 - HA ARG+ 48 25.000% * 3.2252% (0.98 1.0 0.75 0.81) = 3.225% kept Peak 2275 (8.07, 1.74, 32.28 ppm): 8 chemical-shift based assignments, quality = 0.934, support = 5.46, residual support = 174.9: O HN ARG+ 48 - HB2 ARG+ 48 12.500% * 81.4417% (0.96 10.0 6.32 213.94) = 81.442% kept HN MET 54 - HB2 ARG+ 48 12.500% * 8.9558% (0.93 1.0 2.27 5.85) = 8.956% kept HN ASP- 89 - HB2 ARG+ 48 12.500% * 5.0317% (0.84 1.0 1.42 2.79) = 5.032% kept HN LEU 22 - HB2 ARG+ 48 12.500% * 3.7072% (0.74 1.0 1.18 0.81) = 3.707% kept HN ARG+ 48 - HB3 PRO 25 12.500% * 0.6688% (0.88 1.0 0.18 0.02) = 0.669% HN MET 54 - HB3 PRO 25 12.500% * 0.0724% (0.85 1.0 0.02 0.02) = 0.072% HN ASP- 89 - HB3 PRO 25 12.500% * 0.0651% (0.77 1.0 0.02 0.02) = 0.065% HN LEU 22 - HB3 PRO 25 12.500% * 0.0574% (0.68 1.0 0.02 0.02) = 0.057% Peak 2276 (7.26, 0.95, 32.28 ppm): 2 chemical-shift based assignments, quality = 0.957, support = 5.21, residual support = 33.1: HN SER 49 - HB3 ARG+ 48 50.000% * 66.7652% (0.96 6.25 46.19) = 66.765% kept HN ILE 14 - HB3 ARG+ 48 50.000% * 33.2348% (0.96 3.11 6.85) = 33.235% kept Peak 2277 (8.07, 0.95, 32.28 ppm): 4 chemical-shift based assignments, quality = 0.959, support = 6.1, residual support = 168.9: O HN ARG+ 48 - HB3 ARG+ 48 25.000% * 78.6410% (0.99 10.0 7.17 213.94) = 78.641% kept HN MET 54 - HB3 ARG+ 48 25.000% * 8.2355% (0.96 1.0 2.16 5.85) = 8.236% kept HN LEU 22 - HB3 ARG+ 48 25.000% * 7.5218% (0.76 1.0 2.49 0.81) = 7.522% kept HN ASP- 89 - HB3 ARG+ 48 25.000% * 5.6017% (0.86 1.0 1.63 2.79) = 5.602% kept Peak 2278 (0.94, 1.49, 27.30 ppm): 6 chemical-shift based assignments, quality = 0.897, support = 6.52, residual support = 208.3: O T HB3 ARG+ 48 - HG2 ARG+ 48 16.667% * 97.3474% (0.91 10.0 10.00 6.67 213.94) = 97.347% kept QD1 LEU 26 - HG2 ARG+ 48 16.667% * 2.0265% (0.31 1.0 1.00 1.25 0.77) = 2.026% kept QG2 ILE 14 - HG2 ARG+ 48 16.667% * 0.4067% (0.48 1.0 1.00 0.16 6.85) = 0.407% QG2 VAL 52 - HG2 ARG+ 48 16.667% * 0.0915% (0.86 1.0 1.00 0.02 0.02) = 0.091% QD2 LEU 82 - HG2 ARG+ 48 16.667% * 0.0724% (0.68 1.0 1.00 0.02 0.02) = 0.072% HG3 LYS+ 56 - HG2 ARG+ 48 16.667% * 0.0555% (0.52 1.0 1.00 0.02 0.02) = 0.055% Peak 2279 (1.16, 1.49, 27.30 ppm): 5 chemical-shift based assignments, quality = 0.93, support = 6.1, residual support = 197.6: O T HG3 ARG+ 48 - HG2 ARG+ 48 20.000% * 92.3430% (0.98 10.0 10.00 6.56 213.94) = 92.343% kept T HG3 ARG+ 88 - HG2 ARG+ 48 20.000% * 7.4879% (0.31 1.0 10.00 0.52 0.02) = 7.488% kept HB3 LEU 43 - HG2 ARG+ 48 20.000% * 0.0913% (0.97 1.0 1.00 0.02 7.06) = 0.091% QG2 VAL 65 - HG2 ARG+ 48 20.000% * 0.0490% (0.52 1.0 1.00 0.02 0.02) = 0.049% HD3 LYS+ 56 - HG2 ARG+ 48 20.000% * 0.0288% (0.31 1.0 1.00 0.02 0.02) = 0.029% Peak 2283 (7.26, 1.49, 27.30 ppm): 2 chemical-shift based assignments, quality = 0.957, support = 5.32, residual support = 36.8: HN SER 49 - HG2 ARG+ 48 50.000% * 76.1183% (0.96 6.36 46.19) = 76.118% kept HN ILE 14 - HG2 ARG+ 48 50.000% * 23.8817% (0.96 2.00 6.85) = 23.882% kept Peak 2284 (8.07, 1.49, 27.30 ppm): 5 chemical-shift based assignments, quality = 0.935, support = 5.74, residual support = 136.4: HN ARG+ 48 - HG2 ARG+ 48 20.000% * 63.0416% (0.97 7.89 213.94) = 63.042% kept HN MET 54 - HG2 ARG+ 48 20.000% * 20.9263% (0.99 2.58 5.85) = 20.926% kept HN ASP- 89 - HG2 ARG+ 48 20.000% * 9.8776% (0.76 1.59 2.79) = 9.878% kept HN LEU 22 - HG2 ARG+ 48 20.000% * 6.1259% (0.64 1.16 0.81) = 6.126% kept HN ASP- 87 - HG2 ARG+ 48 20.000% * 0.0285% (0.17 0.02 0.02) = 0.029% Peak 2285 (4.05, 1.49, 27.30 ppm): 3 chemical-shift based assignments, quality = 0.784, support = 6.63, residual support = 209.6: O T HA ARG+ 48 - HG2 ARG+ 48 33.333% * 97.9820% (0.79 10.0 10.00 6.76 213.94) = 97.982% kept HA2 GLY 98 - HG2 ARG+ 48 33.333% * 1.2862% (0.52 1.0 1.00 0.40 0.02) = 1.286% kept HA2 GLY 66 - HG2 ARG+ 48 33.333% * 0.7318% (0.34 1.0 1.00 0.35 0.02) = 0.732% Peak 2286 (4.05, 1.16, 27.30 ppm): 4 chemical-shift based assignments, quality = 0.534, support = 6.46, residual support = 204.1: O T HA ARG+ 48 - HG3 ARG+ 48 25.000% * 95.4192% (0.52 10.0 10.00 6.75 213.94) = 95.419% kept HA2 GLY 98 - HG3 ARG+ 48 25.000% * 2.7326% (0.80 1.0 1.00 0.38 0.02) = 2.733% kept HA2 GLY 66 - HG3 ARG+ 48 25.000% * 1.8165% (0.61 1.0 1.00 0.33 0.02) = 1.816% kept HA1 GLY 58 - HG3 ARG+ 48 25.000% * 0.0318% (0.17 1.0 1.00 0.02 0.02) = 0.032% Peak 2287 (7.27, 1.16, 27.30 ppm): 2 chemical-shift based assignments, quality = 0.799, support = 5.27, residual support = 36.7: HN SER 49 - HG3 ARG+ 48 50.000% * 75.9312% (0.80 6.31 46.19) = 75.931% kept HN ILE 14 - HG3 ARG+ 48 50.000% * 24.0688% (0.80 2.00 6.85) = 24.069% kept Peak 2288 (8.06, 1.16, 27.30 ppm): 5 chemical-shift based assignments, quality = 0.908, support = 5.65, residual support = 126.9: HN ARG+ 48 - HG3 ARG+ 48 20.000% * 58.4054% (0.95 7.59 213.94) = 58.405% kept HN MET 54 - HG3 ARG+ 48 20.000% * 28.1406% (0.98 3.57 5.85) = 28.141% kept HN ASP- 89 - HG3 ARG+ 48 20.000% * 8.9547% (0.61 1.83 2.79) = 8.955% kept HN LEU 22 - HG3 ARG+ 48 20.000% * 4.4545% (0.49 1.14 0.81) = 4.455% kept HN ASP- 87 - HG3 ARG+ 48 20.000% * 0.0448% (0.28 0.02 0.02) = 0.045% Peak 2289 (3.15, 2.97, 43.81 ppm): 8 chemical-shift based assignments, quality = 0.986, support = 5.53, residual support = 211.4: O HD2 ARG+ 48 - HD3 ARG+ 48 12.500% * 98.8335% (1.00 10.0 5.59 213.94) = 98.834% kept HB3 TYR 86 - HD3 ARG+ 48 12.500% * 0.8798% (0.98 1.0 0.18 0.10) = 0.880% HB2 PHE 13 - HD3 ARG+ 48 12.500% * 0.0980% (0.99 1.0 0.02 0.10) = 0.098% QB HIS 99 - HD3 ARG+ 48 12.500% * 0.0857% (0.87 1.0 0.02 0.02) = 0.086% HD2 ARG+ 48 - HD3 ARG+ 88 12.500% * 0.0268% (0.27 1.0 0.02 0.02) = 0.027% HB2 PHE 13 - HD3 ARG+ 88 12.500% * 0.0266% (0.27 1.0 0.02 0.02) = 0.027% HB3 TYR 86 - HD3 ARG+ 88 12.500% * 0.0263% (0.27 1.0 0.02 0.02) = 0.026% QB HIS 99 - HD3 ARG+ 88 12.500% * 0.0233% (0.23 1.0 0.02 0.02) = 0.023% Peak 2290 (4.04, 2.97, 43.81 ppm): 8 chemical-shift based assignments, quality = 0.279, support = 6.06, residual support = 207.0: HA ARG+ 48 - HD3 ARG+ 48 12.500% * 96.7755% (0.28 6.26 213.94) = 96.775% kept HA2 GLY 98 - HD3 ARG+ 48 12.500% * 1.0892% (0.98 0.02 0.02) = 1.089% kept HA2 GLY 66 - HD3 ARG+ 48 12.500% * 0.9639% (0.87 0.02 0.02) = 0.964% HA1 GLY 58 - HD3 ARG+ 48 12.500% * 0.4171% (0.37 0.02 0.02) = 0.417% HA2 GLY 98 - HD3 ARG+ 88 12.500% * 0.2956% (0.27 0.02 0.02) = 0.296% HA2 GLY 66 - HD3 ARG+ 88 12.500% * 0.2616% (0.23 0.02 0.02) = 0.262% HA1 GLY 58 - HD3 ARG+ 88 12.500% * 0.1132% (0.10 0.02 0.02) = 0.113% HA ARG+ 48 - HD3 ARG+ 88 12.500% * 0.0839% (0.08 0.02 0.02) = 0.084% Peak 2291 (4.79, 2.97, 43.81 ppm): 4 chemical-shift based assignments, quality = 0.368, support = 0.768, residual support = 0.683: HA TYR 81 - HD3 ARG+ 48 25.000% * 40.6355% (0.41 0.70 0.39) = 40.636% kept HA THR 64 - HD3 ARG+ 88 25.000% * 26.4746% (0.25 0.75 0.91) = 26.475% kept HA TYR 81 - HD3 ARG+ 88 25.000% * 20.7346% (0.11 1.32 1.25) = 20.735% kept HA THR 64 - HD3 ARG+ 48 25.000% * 12.1553% (0.92 0.09 0.22) = 12.155% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2292 (6.36, 2.97, 43.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2293 (7.00, 2.97, 43.81 ppm): 4 chemical-shift based assignments, quality = 0.626, support = 1.1, residual support = 2.52: HE ARG+ 90 - HD3 ARG+ 48 25.000% * 82.8533% (0.72 1.20 3.03) = 82.853% kept HN PHE 70 - HD3 ARG+ 48 25.000% * 10.3265% (0.20 0.55 0.02) = 10.327% kept HN PHE 70 - HD3 ARG+ 88 25.000% * 5.3184% (0.05 1.04 0.02) = 5.318% kept HE ARG+ 90 - HD3 ARG+ 88 25.000% * 1.5018% (0.20 0.08 0.02) = 1.502% kept Peak 2294 (7.36, 2.97, 43.81 ppm): 4 chemical-shift based assignments, quality = 0.632, support = 0.556, residual support = 1.47: HN ASN 69 - HD3 ARG+ 48 25.000% * 54.6183% (0.94 0.30 0.14) = 54.618% kept HN ASN 69 - HD3 ARG+ 88 25.000% * 43.8775% (0.26 0.89 3.18) = 43.877% kept HD21 ASN 29 - HD3 ARG+ 48 25.000% * 1.1831% (0.31 0.02 0.02) = 1.183% kept HD21 ASN 29 - HD3 ARG+ 88 25.000% * 0.3211% (0.08 0.02 0.49) = 0.321% Peak 2295 (8.07, 2.97, 43.81 ppm): 8 chemical-shift based assignments, quality = 0.89, support = 5.01, residual support = 121.6: HN ARG+ 48 - HD3 ARG+ 48 12.500% * 55.8104% (0.99 7.15 213.94) = 55.810% kept HN MET 54 - HD3 ARG+ 48 12.500% * 16.2354% (0.96 2.14 5.85) = 16.235% kept HN ASP- 89 - HD3 ARG+ 48 12.500% * 15.6389% (0.87 2.30 2.79) = 15.639% kept HN ASP- 89 - HD3 ARG+ 88 12.500% * 7.0189% (0.23 3.80 11.31) = 7.019% kept HN LEU 22 - HD3 ARG+ 48 12.500% * 3.1413% (0.76 0.52 0.81) = 3.141% kept HN LEU 22 - HD3 ARG+ 88 12.500% * 2.0715% (0.21 1.27 0.32) = 2.072% kept HN ARG+ 48 - HD3 ARG+ 88 12.500% * 0.0424% (0.27 0.02 0.02) = 0.042% HN MET 54 - HD3 ARG+ 88 12.500% * 0.0411% (0.26 0.02 0.02) = 0.041% Peak 2296 (3.15, 1.16, 27.30 ppm): 4 chemical-shift based assignments, quality = 0.994, support = 5.46, residual support = 189.4: O T HD2 ARG+ 48 - HG3 ARG+ 48 25.000% * 88.5334% (1.00 10.0 10.00 6.13 213.94) = 88.533% kept T HB3 TYR 86 - HG3 ARG+ 48 25.000% * 11.3020% (0.98 1.0 10.00 0.26 0.10) = 11.302% kept HB2 PHE 13 - HG3 ARG+ 48 25.000% * 0.0877% (0.99 1.0 1.00 0.02 0.10) = 0.088% QB HIS 99 - HG3 ARG+ 48 25.000% * 0.0768% (0.87 1.0 1.00 0.02 0.02) = 0.077% Peak 2298 (8.07, 3.15, 43.81 ppm): 8 chemical-shift based assignments, quality = 0.942, support = 4.96, residual support = 125.1: HN ARG+ 48 - HD2 ARG+ 48 12.500% * 57.8025% (0.99 7.24 213.94) = 57.803% kept HN MET 54 - HD2 ARG+ 48 12.500% * 17.0796% (0.96 2.20 5.85) = 17.080% kept HN ASP- 89 - HD2 ARG+ 48 12.500% * 15.4601% (0.87 2.22 2.79) = 15.460% kept HN LEU 22 - HD2 ARG+ 48 12.500% * 4.2600% (0.76 0.69 0.81) = 4.260% kept HN ASP- 89 - HB3 TYR 86 12.500% * 2.9892% (0.77 0.48 0.02) = 2.989% kept HN ARG+ 48 - HB3 TYR 86 12.500% * 1.6808% (0.89 0.24 0.10) = 1.681% kept HN LEU 22 - HB3 TYR 86 12.500% * 0.5892% (0.68 0.11 0.02) = 0.589% HN MET 54 - HB3 TYR 86 12.500% * 0.1384% (0.86 0.02 0.21) = 0.138% Peak 2299 (7.26, 3.15, 43.81 ppm): 4 chemical-shift based assignments, quality = 0.948, support = 4.55, residual support = 32.4: HN SER 49 - HD2 ARG+ 48 25.000% * 67.3036% (0.96 6.15 46.19) = 67.304% kept HN ILE 14 - HD2 ARG+ 48 25.000% * 18.2652% (0.96 1.67 6.85) = 18.265% kept HN SER 49 - HB3 TYR 86 25.000% * 7.3246% (0.86 0.75 0.23) = 7.325% kept HN ILE 14 - HB3 TYR 86 25.000% * 7.1066% (0.86 0.73 0.30) = 7.107% kept Peak 2300 (7.00, 3.15, 43.81 ppm): 2 chemical-shift based assignments, quality = 0.438, support = 1.17, residual support = 2.56: HE ARG+ 90 - HD2 ARG+ 48 50.000% * 80.8142% (0.45 1.37 3.03) = 80.814% kept HE ARG+ 90 - HB3 TYR 86 50.000% * 19.1858% (0.40 0.36 0.58) = 19.186% kept Peak 2301 (4.05, 3.15, 43.81 ppm): 8 chemical-shift based assignments, quality = 0.54, support = 5.36, residual support = 174.9: HA ARG+ 48 - HD2 ARG+ 48 12.500% * 81.7511% (0.52 6.47 213.94) = 81.751% kept HA2 GLY 66 - HD2 ARG+ 48 12.500% * 7.2368% (0.61 0.50 0.02) = 7.237% kept HA2 GLY 98 - HD2 ARG+ 48 12.500% * 5.7794% (0.80 0.30 0.02) = 5.779% kept HA ARG+ 48 - HB3 TYR 86 12.500% * 4.4692% (0.47 0.40 0.10) = 4.469% kept HA2 GLY 98 - HB3 TYR 86 12.500% * 0.3437% (0.71 0.02 0.02) = 0.344% HA2 GLY 66 - HB3 TYR 86 12.500% * 0.2604% (0.54 0.02 0.02) = 0.260% HA1 GLY 58 - HD2 ARG+ 48 12.500% * 0.0841% (0.17 0.02 0.02) = 0.084% HA1 GLY 58 - HB3 TYR 86 12.500% * 0.0752% (0.16 0.02 0.02) = 0.075% Peak 2302 (8.12, 5.71, 56.55 ppm): 1 chemical-shift based assignment, quality = 0.403, support = 4.65, residual support = 46.2: HN ARG+ 48 - HA SER 49 100.000% *100.0000% (0.40 4.65 46.19) = 100.000% kept Peak 2303 (1.14, 4.07, 56.87 ppm): 7 chemical-shift based assignments, quality = 0.436, support = 6.07, residual support = 191.1: O T HG3 ARG+ 48 - HA ARG+ 48 14.286% * 89.2971% (0.41 10.0 10.00 6.75 213.94) = 89.297% kept HG3 ARG+ 88 - HA ARG+ 48 14.286% * 3.9161% (0.99 1.0 1.00 0.36 0.02) = 3.916% kept QG2 ILE 38 - HA ARG+ 48 14.286% * 3.0678% (0.72 1.0 1.00 0.39 0.02) = 3.068% kept HG13 ILE 95 - HA ARG+ 48 14.286% * 2.3229% (0.41 1.0 1.00 0.52 0.02) = 2.323% kept HG13 ILE 14 - HA ARG+ 48 14.286% * 1.1364% (0.15 1.0 1.00 0.68 6.85) = 1.136% kept QG2 VAL 65 - HA ARG+ 48 14.286% * 0.2055% (0.94 1.0 1.00 0.02 0.02) = 0.205% HB3 LEU 43 - HA ARG+ 48 14.286% * 0.0542% (0.25 1.0 1.00 0.02 7.06) = 0.054% Peak 2304 (1.48, 0.95, 32.28 ppm): 6 chemical-shift based assignments, quality = 0.862, support = 6.37, residual support = 202.7: O T HG2 ARG+ 48 - HB3 ARG+ 48 16.667% * 94.7344% (0.89 10.0 10.00 6.67 213.94) = 94.734% kept HG3 LYS+ 17 - HB3 ARG+ 48 16.667% * 3.8970% (0.52 1.0 1.00 1.40 0.73) = 3.897% kept HG12 ILE 95 - HB3 ARG+ 48 16.667% * 0.6145% (0.60 1.0 1.00 0.19 0.02) = 0.614% HG3 LYS+ 72 - HB3 ARG+ 48 16.667% * 0.5624% (0.56 1.0 1.00 0.19 0.10) = 0.562% HB3 PHE 84 - HB3 ARG+ 48 16.667% * 0.1035% (0.97 1.0 1.00 0.02 0.02) = 0.104% HB3 GLU- 23 - HB3 ARG+ 48 16.667% * 0.0882% (0.83 1.0 1.00 0.02 0.02) = 0.088% Peak 2305 (1.14, 0.95, 32.28 ppm): 7 chemical-shift based assignments, quality = 0.348, support = 4.91, residual support = 146.8: O T HG3 ARG+ 48 - HB3 ARG+ 48 14.286% * 67.6969% (0.41 10.0 10.00 6.41 213.94) = 67.697% kept T HG13 ILE 14 - HB3 ARG+ 48 14.286% * 25.4074% (0.15 1.0 10.00 2.06 6.85) = 25.407% kept HB3 LEU 43 - HB3 ARG+ 48 14.286% * 2.5722% (0.25 1.0 1.00 1.25 7.06) = 2.572% kept HG13 ILE 95 - HB3 ARG+ 48 14.286% * 2.2618% (0.41 1.0 1.00 0.67 0.02) = 2.262% kept HG3 ARG+ 88 - HB3 ARG+ 48 14.286% * 1.7863% (0.99 1.0 1.00 0.22 0.02) = 1.786% kept QG2 VAL 65 - HB3 ARG+ 48 14.286% * 0.1558% (0.94 1.0 1.00 0.02 0.02) = 0.156% QG2 ILE 38 - HB3 ARG+ 48 14.286% * 0.1196% (0.72 1.0 1.00 0.02 0.02) = 0.120% Peak 2306 (3.15, 1.49, 27.30 ppm): 4 chemical-shift based assignments, quality = 0.943, support = 5.42, residual support = 179.7: O T HD2 ARG+ 48 - HG2 ARG+ 48 25.000% * 83.9728% (0.94 10.0 10.00 6.38 213.94) = 83.973% kept T HB3 TYR 86 - HG2 ARG+ 48 25.000% * 15.8606% (0.98 1.0 10.00 0.36 0.10) = 15.861% kept QB HIS 99 - HG2 ARG+ 48 25.000% * 0.0870% (0.97 1.0 1.00 0.02 0.02) = 0.087% HB2 PHE 13 - HG2 ARG+ 48 25.000% * 0.0796% (0.89 1.0 1.00 0.02 0.10) = 0.080% Peak 2307 (2.96, 1.16, 27.30 ppm): 7 chemical-shift based assignments, quality = 0.886, support = 5.77, residual support = 205.5: O HD3 ARG+ 48 - HG3 ARG+ 48 14.286% * 96.0459% (0.89 10.0 6.00 213.94) = 96.046% kept HE3 LYS+ 60 - HG3 ARG+ 48 14.286% * 1.4278% (1.00 1.0 0.27 0.02) = 1.428% kept QE LYS+ 17 - HG3 ARG+ 48 14.286% * 1.2872% (0.94 1.0 0.25 0.73) = 1.287% kept QE LYS+ 55 - HG3 ARG+ 48 14.286% * 0.9499% (0.99 1.0 0.18 0.02) = 0.950% HB2 ASP- 89 - HG3 ARG+ 48 14.286% * 0.1069% (1.00 1.0 0.02 2.79) = 0.107% HB3 PHE 9 - HG3 ARG+ 48 14.286% * 0.0929% (0.87 1.0 0.02 0.02) = 0.093% HD3 ARG+ 88 - HG3 ARG+ 48 14.286% * 0.0895% (0.83 1.0 0.02 0.02) = 0.089% Peak 2308 (2.96, 1.49, 27.30 ppm): 7 chemical-shift based assignments, quality = 0.888, support = 5.73, residual support = 196.4: O HD3 ARG+ 48 - HG2 ARG+ 48 14.286% * 91.7511% (0.89 10.0 6.20 213.94) = 91.751% kept QE LYS+ 17 - HG2 ARG+ 48 14.286% * 3.9953% (0.94 1.0 0.83 0.73) = 3.995% kept HE3 LYS+ 60 - HG2 ARG+ 48 14.286% * 1.8879% (0.99 1.0 0.37 0.02) = 1.888% kept HB2 ASP- 89 - HG2 ARG+ 48 14.286% * 1.6477% (0.99 1.0 0.32 2.79) = 1.648% kept QE LYS+ 55 - HG2 ARG+ 48 14.286% * 0.5437% (0.98 1.0 0.11 0.02) = 0.544% HB3 PHE 9 - HG2 ARG+ 48 14.286% * 0.0887% (0.86 1.0 0.02 0.02) = 0.089% HD3 ARG+ 88 - HG2 ARG+ 48 14.286% * 0.0855% (0.83 1.0 0.02 0.02) = 0.085% Peak 2309 (1.49, 1.16, 27.30 ppm): 7 chemical-shift based assignments, quality = 0.959, support = 6.54, residual support = 213.2: O T HG2 ARG+ 48 - HG3 ARG+ 48 14.286% * 99.6435% (0.96 10.0 10.00 6.56 213.94) = 99.644% kept HG12 ILE 95 - HG3 ARG+ 48 14.286% * 0.0996% (0.96 1.0 1.00 0.02 0.02) = 0.100% HG3 LYS+ 17 - HG3 ARG+ 48 14.286% * 0.0953% (0.92 1.0 1.00 0.02 0.73) = 0.095% HB3 PHE 84 - HG3 ARG+ 48 14.286% * 0.0668% (0.65 1.0 1.00 0.02 0.02) = 0.067% HB3 GLU- 23 - HG3 ARG+ 48 14.286% * 0.0424% (0.41 1.0 1.00 0.02 0.02) = 0.042% HG3 PRO 25 - HG3 ARG+ 48 14.286% * 0.0319% (0.31 1.0 1.00 0.02 0.02) = 0.032% HG3 LYS+ 72 - HG3 ARG+ 48 14.286% * 0.0204% (0.20 1.0 1.00 0.02 0.10) = 0.020% Peak 2310 (1.72, 1.16, 27.30 ppm): 9 chemical-shift based assignments, quality = 0.743, support = 5.6, residual support = 197.7: O HB2 ARG+ 48 - HG3 ARG+ 48 11.111% * 92.4037% (0.76 10.0 6.02 213.94) = 92.404% kept HG LEU 26 - HG3 ARG+ 48 11.111% * 2.9594% (0.49 1.0 1.01 0.77) = 2.959% kept HB2 GLU- 23 - HG3 ARG+ 48 11.111% * 2.5881% (0.92 1.0 0.46 0.02) = 2.588% kept QD LYS+ 60 - HG3 ARG+ 48 11.111% * 0.9498% (0.41 1.0 0.38 0.02) = 0.950% HB ILE 14 - HG3 ARG+ 48 11.111% * 0.8458% (0.31 1.0 0.45 6.85) = 0.846% HG12 ILE 38 - HG3 ARG+ 48 11.111% * 0.1049% (0.87 1.0 0.02 0.02) = 0.105% QB GLU- 30 - HG3 ARG+ 48 11.111% * 0.0831% (0.69 1.0 0.02 0.15) = 0.083% HB3 PRO 25 - HG3 ARG+ 48 11.111% * 0.0412% (0.34 1.0 0.02 0.02) = 0.041% HD3 LYS+ 55 - HG3 ARG+ 48 11.111% * 0.0239% (0.20 1.0 0.02 0.02) = 0.024% Peak 2311 (1.72, 1.49, 27.30 ppm): 9 chemical-shift based assignments, quality = 0.786, support = 4.47, residual support = 148.9: O HB2 ARG+ 48 - HG2 ARG+ 48 11.111% * 69.5745% (0.76 10.0 1.00 6.13 213.94) = 69.575% kept T HB2 GLU- 23 - HG2 ARG+ 48 11.111% * 26.9729% (0.91 1.0 10.00 0.64 0.02) = 26.973% kept HG LEU 26 - HG2 ARG+ 48 11.111% * 2.5856% (0.48 1.0 1.00 1.17 0.77) = 2.586% kept HB ILE 14 - HG2 ARG+ 48 11.111% * 0.6390% (0.31 1.0 1.00 0.45 6.85) = 0.639% HG12 ILE 38 - HG2 ARG+ 48 11.111% * 0.0790% (0.86 1.0 1.00 0.02 0.02) = 0.079% QB GLU- 30 - HG2 ARG+ 48 11.111% * 0.0625% (0.68 1.0 1.00 0.02 0.15) = 0.063% QD LYS+ 60 - HG2 ARG+ 48 11.111% * 0.0374% (0.41 1.0 1.00 0.02 0.02) = 0.037% HB3 PRO 25 - HG2 ARG+ 48 11.111% * 0.0311% (0.34 1.0 1.00 0.02 0.02) = 0.031% HD3 LYS+ 55 - HG2 ARG+ 48 11.111% * 0.0180% (0.20 1.0 1.00 0.02 0.02) = 0.018% Peak 2312 (0.94, 1.16, 27.30 ppm): 6 chemical-shift based assignments, quality = 0.905, support = 6.27, residual support = 209.0: O T HB3 ARG+ 48 - HG3 ARG+ 48 16.667% * 97.6845% (0.92 10.0 10.00 6.41 213.94) = 97.685% kept QD1 LEU 26 - HG3 ARG+ 48 16.667% * 1.6886% (0.31 1.0 1.00 1.03 0.77) = 1.689% kept QG2 ILE 14 - HG3 ARG+ 48 16.667% * 0.4067% (0.49 1.0 1.00 0.16 6.85) = 0.407% QG2 VAL 52 - HG3 ARG+ 48 16.667% * 0.0918% (0.87 1.0 1.00 0.02 0.02) = 0.092% QD2 LEU 82 - HG3 ARG+ 48 16.667% * 0.0727% (0.69 1.0 1.00 0.02 0.02) = 0.073% HG3 LYS+ 56 - HG3 ARG+ 48 16.667% * 0.0557% (0.52 1.0 1.00 0.02 0.02) = 0.056% Peak 2313 (0.94, 3.15, 43.81 ppm): 12 chemical-shift based assignments, quality = 0.749, support = 6.0, residual support = 204.6: O HB3 ARG+ 48 - HD2 ARG+ 48 8.333% * 95.6161% (0.76 10.0 6.25 213.94) = 95.616% kept QD1 LEU 26 - HD2 ARG+ 48 8.333% * 2.6876% (0.49 1.0 0.88 0.77) = 2.688% kept HB3 ARG+ 48 - HB3 TYR 86 8.333% * 1.0173% (0.68 1.0 0.24 0.10) = 1.017% kept QG2 ILE 14 - HB3 TYR 86 8.333% * 0.2270% (0.28 1.0 0.13 0.30) = 0.227% QG2 VAL 52 - HD2 ARG+ 48 8.333% * 0.0859% (0.69 1.0 0.02 0.02) = 0.086% QG2 VAL 52 - HB3 TYR 86 8.333% * 0.0768% (0.61 1.0 0.02 0.02) = 0.077% QD2 LEU 82 - HD2 ARG+ 48 8.333% * 0.0609% (0.49 1.0 0.02 0.02) = 0.061% QD1 LEU 26 - HB3 TYR 86 8.333% * 0.0544% (0.43 1.0 0.02 0.02) = 0.054% QD2 LEU 82 - HB3 TYR 86 8.333% * 0.0544% (0.43 1.0 0.02 0.02) = 0.054% HG3 LYS+ 56 - HD2 ARG+ 48 8.333% * 0.0427% (0.34 1.0 0.02 0.02) = 0.043% QG2 ILE 14 - HD2 ARG+ 48 8.333% * 0.0386% (0.31 1.0 0.02 6.85) = 0.039% HG3 LYS+ 56 - HB3 TYR 86 8.333% * 0.0381% (0.30 1.0 0.02 0.02) = 0.038% Peak 2314 (1.15, 3.15, 43.81 ppm): 10 chemical-shift based assignments, quality = 0.816, support = 5.38, residual support = 186.3: O T HG3 ARG+ 48 - HD2 ARG+ 48 10.000% * 87.0630% (0.83 10.0 10.00 6.13 213.94) = 87.063% kept T HG3 ARG+ 48 - HB3 TYR 86 10.000% * 10.1327% (0.74 1.0 10.00 0.26 0.10) = 10.133% kept HG3 ARG+ 88 - HD2 ARG+ 48 10.000% * 2.0732% (0.72 1.0 1.00 0.55 0.02) = 2.073% kept QG2 VAL 65 - HB3 TYR 86 10.000% * 0.3786% (0.82 1.0 1.00 0.09 0.02) = 0.379% QG2 VAL 65 - HD2 ARG+ 48 10.000% * 0.0962% (0.92 1.0 1.00 0.02 0.02) = 0.096% HG3 ARG+ 88 - HB3 TYR 86 10.000% * 0.0676% (0.65 1.0 1.00 0.02 0.02) = 0.068% HB3 LEU 43 - HD2 ARG+ 48 10.000% * 0.0674% (0.65 1.0 1.00 0.02 7.06) = 0.067% HB3 LEU 43 - HB3 TYR 86 10.000% * 0.0603% (0.58 1.0 1.00 0.02 0.61) = 0.060% QG2 ILE 38 - HD2 ARG+ 48 10.000% * 0.0322% (0.31 1.0 1.00 0.02 0.02) = 0.032% QG2 ILE 38 - HB3 TYR 86 10.000% * 0.0287% (0.28 1.0 1.00 0.02 0.02) = 0.029% Peak 2315 (1.49, 3.15, 43.81 ppm): 14 chemical-shift based assignments, quality = 0.943, support = 5.52, residual support = 183.2: O T HG2 ARG+ 48 - HD2 ARG+ 48 7.143% * 85.6263% (0.96 10.0 10.00 6.38 213.94) = 85.626% kept T HG2 ARG+ 48 - HB3 TYR 86 7.143% * 13.7936% (0.86 1.0 10.00 0.36 0.10) = 13.794% kept HG12 ILE 95 - HD2 ARG+ 48 7.143% * 0.0856% (0.96 1.0 1.00 0.02 0.02) = 0.086% HG3 LYS+ 17 - HD2 ARG+ 48 7.143% * 0.0819% (0.92 1.0 1.00 0.02 0.73) = 0.082% HG12 ILE 95 - HB3 TYR 86 7.143% * 0.0765% (0.86 1.0 1.00 0.02 0.73) = 0.077% HG3 LYS+ 17 - HB3 TYR 86 7.143% * 0.0732% (0.82 1.0 1.00 0.02 0.02) = 0.073% HB3 PHE 84 - HD2 ARG+ 48 7.143% * 0.0574% (0.65 1.0 1.00 0.02 0.02) = 0.057% HB3 PHE 84 - HB3 TYR 86 7.143% * 0.0513% (0.58 1.0 1.00 0.02 0.02) = 0.051% HB3 GLU- 23 - HD2 ARG+ 48 7.143% * 0.0365% (0.41 1.0 1.00 0.02 0.02) = 0.036% HB3 GLU- 23 - HB3 TYR 86 7.143% * 0.0326% (0.37 1.0 1.00 0.02 0.02) = 0.033% HG3 PRO 25 - HD2 ARG+ 48 7.143% * 0.0274% (0.31 1.0 1.00 0.02 0.02) = 0.027% HG3 PRO 25 - HB3 TYR 86 7.143% * 0.0245% (0.28 1.0 1.00 0.02 0.02) = 0.024% HG3 LYS+ 72 - HD2 ARG+ 48 7.143% * 0.0176% (0.20 1.0 1.00 0.02 0.10) = 0.018% HG3 LYS+ 72 - HB3 TYR 86 7.143% * 0.0157% (0.18 1.0 1.00 0.02 0.02) = 0.016% Peak 2316 (1.72, 3.15, 43.81 ppm): 18 chemical-shift based assignments, quality = 0.748, support = 5.45, residual support = 195.1: O HB2 ARG+ 48 - HD2 ARG+ 48 5.556% * 91.1529% (0.76 10.0 5.91 213.94) = 91.153% kept HB2 GLU- 23 - HD2 ARG+ 48 5.556% * 4.0845% (0.92 1.0 0.74 0.02) = 4.084% kept HG LEU 26 - HD2 ARG+ 48 5.556% * 2.4739% (0.49 1.0 0.85 0.77) = 2.474% kept HB ILE 14 - HD2 ARG+ 48 5.556% * 1.1436% (0.31 1.0 0.62 6.85) = 1.144% kept HB2 ARG+ 48 - HB3 TYR 86 5.556% * 0.3963% (0.68 1.0 0.10 0.10) = 0.396% HG12 ILE 38 - HD2 ARG+ 48 5.556% * 0.1035% (0.87 1.0 0.02 0.02) = 0.103% HB2 GLU- 23 - HB3 TYR 86 5.556% * 0.0984% (0.82 1.0 0.02 0.02) = 0.098% HG12 ILE 38 - HB3 TYR 86 5.556% * 0.0925% (0.77 1.0 0.02 0.02) = 0.092% QB GLU- 30 - HD2 ARG+ 48 5.556% * 0.0819% (0.69 1.0 0.02 0.15) = 0.082% QB GLU- 30 - HB3 TYR 86 5.556% * 0.0732% (0.61 1.0 0.02 0.02) = 0.073% HG LEU 26 - HB3 TYR 86 5.556% * 0.0519% (0.43 1.0 0.02 0.02) = 0.052% QD LYS+ 60 - HD2 ARG+ 48 5.556% * 0.0490% (0.41 1.0 0.02 0.02) = 0.049% QD LYS+ 60 - HB3 TYR 86 5.556% * 0.0438% (0.37 1.0 0.02 0.02) = 0.044% HB3 PRO 25 - HD2 ARG+ 48 5.556% * 0.0407% (0.34 1.0 0.02 0.02) = 0.041% HB3 PRO 25 - HB3 TYR 86 5.556% * 0.0364% (0.30 1.0 0.02 0.02) = 0.036% HB ILE 14 - HB3 TYR 86 5.556% * 0.0329% (0.28 1.0 0.02 0.30) = 0.033% HD3 LYS+ 55 - HD2 ARG+ 48 5.556% * 0.0236% (0.20 1.0 0.02 0.02) = 0.024% HD3 LYS+ 55 - HB3 TYR 86 5.556% * 0.0211% (0.18 1.0 0.02 0.02) = 0.021% Peak 2317 (0.30, 2.97, 43.81 ppm): 6 chemical-shift based assignments, quality = 0.447, support = 0.625, residual support = 1.78: QG1 VAL 7 - HD3 ARG+ 48 16.667% * 38.9097% (0.83 0.37 1.59) = 38.910% kept QG1 VAL 7 - HD3 ARG+ 88 16.667% * 23.6316% (0.23 0.84 4.46) = 23.632% kept QG1 VAL 71 - HD3 ARG+ 48 16.667% * 23.1809% (0.20 0.94 0.33) = 23.181% kept QD1 LEU 63 - HD3 ARG+ 48 16.667% * 10.9353% (0.20 0.44 0.25) = 10.935% kept QD1 LEU 63 - HD3 ARG+ 88 16.667% * 3.2086% (0.05 0.48 0.02) = 3.209% kept QG1 VAL 71 - HD3 ARG+ 88 16.667% * 0.1339% (0.05 0.02 0.02) = 0.134% Peak 2318 (0.48, 2.97, 43.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2319 (0.94, 2.97, 43.81 ppm): 12 chemical-shift based assignments, quality = 0.683, support = 4.75, residual support = 155.7: O HB3 ARG+ 48 - HD3 ARG+ 48 8.333% * 72.6688% (0.76 10.0 1.00 6.12 213.94) = 72.669% kept T QD1 LEU 26 - HD3 ARG+ 48 8.333% * 26.6296% (0.49 1.0 10.00 1.15 0.77) = 26.630% kept T QG2 ILE 14 - HD3 ARG+ 48 8.333% * 0.2935% (0.31 1.0 10.00 0.02 6.85) = 0.293% T QD1 LEU 26 - HD3 ARG+ 88 8.333% * 0.1256% (0.13 1.0 10.00 0.02 0.12) = 0.126% T QG2 ILE 14 - HD3 ARG+ 88 8.333% * 0.0797% (0.08 1.0 10.00 0.02 0.02) = 0.080% QG2 VAL 52 - HD3 ARG+ 48 8.333% * 0.0653% (0.69 1.0 1.00 0.02 0.02) = 0.065% QD2 LEU 82 - HD3 ARG+ 48 8.333% * 0.0463% (0.49 1.0 1.00 0.02 0.02) = 0.046% HG3 LYS+ 56 - HD3 ARG+ 48 8.333% * 0.0324% (0.34 1.0 1.00 0.02 0.02) = 0.032% HB3 ARG+ 48 - HD3 ARG+ 88 8.333% * 0.0197% (0.21 1.0 1.00 0.02 0.02) = 0.020% QG2 VAL 52 - HD3 ARG+ 88 8.333% * 0.0177% (0.19 1.0 1.00 0.02 0.02) = 0.018% QD2 LEU 82 - HD3 ARG+ 88 8.333% * 0.0126% (0.13 1.0 1.00 0.02 0.02) = 0.013% HG3 LYS+ 56 - HD3 ARG+ 88 8.333% * 0.0088% (0.09 1.0 1.00 0.02 0.02) = 0.009% Peak 2320 (1.14, 2.97, 43.81 ppm): 12 chemical-shift based assignments, quality = 0.583, support = 4.33, residual support = 145.4: O T HG3 ARG+ 48 - HD3 ARG+ 48 8.333% * 58.5451% (0.65 10.0 10.00 6.00 213.94) = 58.545% kept O T HG3 ARG+ 88 - HD3 ARG+ 88 8.333% * 22.0288% (0.24 10.0 10.00 3.43 91.54) = 22.029% kept T HG3 ARG+ 88 - HD3 ARG+ 48 8.333% * 14.1310% (0.89 1.0 10.00 0.35 0.02) = 14.131% kept T HG13 ILE 95 - HD3 ARG+ 48 8.333% * 2.4055% (0.22 1.0 10.00 0.24 0.02) = 2.406% kept QG2 VAL 65 - HD3 ARG+ 48 8.333% * 1.9929% (1.00 1.0 1.00 0.44 0.02) = 1.993% kept QG2 VAL 65 - HD3 ARG+ 88 8.333% * 0.5755% (0.27 1.0 1.00 0.47 0.02) = 0.575% T HG3 ARG+ 48 - HD3 ARG+ 88 8.333% * 0.1589% (0.18 1.0 10.00 0.02 0.02) = 0.159% T HG13 ILE 95 - HD3 ARG+ 88 8.333% * 0.0547% (0.06 1.0 10.00 0.02 0.02) = 0.055% QG2 ILE 38 - HD3 ARG+ 48 8.333% * 0.0441% (0.49 1.0 1.00 0.02 0.02) = 0.044% HB3 LEU 43 - HD3 ARG+ 48 8.333% * 0.0406% (0.45 1.0 1.00 0.02 7.06) = 0.041% QG2 ILE 38 - HD3 ARG+ 88 8.333% * 0.0120% (0.13 1.0 1.00 0.02 0.37) = 0.012% HB3 LEU 43 - HD3 ARG+ 88 8.333% * 0.0110% (0.12 1.0 1.00 0.02 0.02) = 0.011% Peak 2321 (1.48, 2.97, 43.81 ppm): 12 chemical-shift based assignments, quality = 0.83, support = 5.21, residual support = 176.4: O T HG2 ARG+ 48 - HD3 ARG+ 48 8.333% * 82.4091% (0.89 10.0 10.00 6.20 213.94) = 82.409% kept T HG3 LYS+ 17 - HD3 ARG+ 48 8.333% * 15.3920% (0.52 1.0 10.00 0.64 0.73) = 15.392% kept HB3 GLU- 23 - HD3 ARG+ 48 8.333% * 1.4446% (0.83 1.0 1.00 0.38 0.02) = 1.445% kept T HG2 ARG+ 48 - HD3 ARG+ 88 8.333% * 0.2237% (0.24 1.0 10.00 0.02 0.02) = 0.224% T HG3 LYS+ 72 - HD3 ARG+ 88 8.333% * 0.1412% (0.15 1.0 10.00 0.02 0.02) = 0.141% T HG3 LYS+ 17 - HD3 ARG+ 88 8.333% * 0.1312% (0.14 1.0 10.00 0.02 0.02) = 0.131% HB3 PHE 84 - HD3 ARG+ 48 8.333% * 0.0901% (0.98 1.0 1.00 0.02 0.02) = 0.090% HG12 ILE 95 - HD3 ARG+ 48 8.333% * 0.0557% (0.61 1.0 1.00 0.02 0.02) = 0.056% HG3 LYS+ 72 - HD3 ARG+ 48 8.333% * 0.0520% (0.56 1.0 1.00 0.02 0.10) = 0.052% HB3 PHE 84 - HD3 ARG+ 88 8.333% * 0.0244% (0.27 1.0 1.00 0.02 0.02) = 0.024% HB3 GLU- 23 - HD3 ARG+ 88 8.333% * 0.0208% (0.23 1.0 1.00 0.02 0.12) = 0.021% HG12 ILE 95 - HD3 ARG+ 88 8.333% * 0.0151% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 2322 (1.72, 2.97, 43.81 ppm): 18 chemical-shift based assignments, quality = 0.605, support = 3.81, residual support = 127.3: O HB2 ARG+ 48 - HD3 ARG+ 48 5.556% * 59.3607% (0.56 10.0 1.00 5.85 213.94) = 59.361% kept T HG LEU 26 - HD3 ARG+ 48 5.556% * 34.1377% (0.69 1.0 10.00 0.95 0.77) = 34.138% kept HB2 GLU- 23 - HD3 ARG+ 48 5.556% * 2.9864% (1.00 1.0 1.00 0.57 0.02) = 2.986% kept T HD3 LYS+ 55 - HD3 ARG+ 48 5.556% * 1.7996% (0.34 1.0 10.00 0.10 0.02) = 1.800% kept T QB GLU- 30 - HD3 ARG+ 48 5.556% * 0.9095% (0.87 1.0 10.00 0.02 0.15) = 0.909% T QB GLU- 30 - HD3 ARG+ 88 5.556% * 0.2468% (0.23 1.0 10.00 0.02 0.02) = 0.247% T HG LEU 26 - HD3 ARG+ 88 5.556% * 0.1955% (0.19 1.0 10.00 0.02 0.12) = 0.195% T HD3 LYS+ 55 - HD3 ARG+ 88 5.556% * 0.0971% (0.09 1.0 10.00 0.02 0.02) = 0.097% HG12 ILE 38 - HD3 ARG+ 48 5.556% * 0.0720% (0.69 1.0 1.00 0.02 0.02) = 0.072% QD LYS+ 60 - HD3 ARG+ 48 5.556% * 0.0636% (0.61 1.0 1.00 0.02 0.02) = 0.064% HB2 GLU- 23 - HD3 ARG+ 88 5.556% * 0.0284% (0.27 1.0 1.00 0.02 0.12) = 0.028% HB3 PRO 25 - HD3 ARG+ 48 5.556% * 0.0207% (0.20 1.0 1.00 0.02 0.02) = 0.021% HG12 ILE 38 - HD3 ARG+ 88 5.556% * 0.0195% (0.19 1.0 1.00 0.02 0.37) = 0.020% HB ILE 14 - HD3 ARG+ 48 5.556% * 0.0184% (0.17 1.0 1.00 0.02 6.85) = 0.018% QD LYS+ 60 - HD3 ARG+ 88 5.556% * 0.0173% (0.16 1.0 1.00 0.02 0.02) = 0.017% HB2 ARG+ 48 - HD3 ARG+ 88 5.556% * 0.0161% (0.15 1.0 1.00 0.02 0.02) = 0.016% HB3 PRO 25 - HD3 ARG+ 88 5.556% * 0.0056% (0.05 1.0 1.00 0.02 0.02) = 0.006% HB ILE 14 - HD3 ARG+ 88 5.556% * 0.0050% (0.05 1.0 1.00 0.02 0.02) = 0.005% Peak 2323 (2.07, 2.97, 43.81 ppm): 14 chemical-shift based assignments, quality = 0.26, support = 3.13, residual support = 78.1: O QB ARG+ 88 - HD3 ARG+ 88 7.143% * 85.0318% (0.21 10.0 1.00 3.64 91.54) = 85.032% kept HG2 MET 54 - HD3 ARG+ 48 7.143% * 4.2378% (0.41 1.0 1.00 0.50 5.85) = 4.238% kept T HB2 LYS+ 11 - HD3 ARG+ 48 7.143% * 3.7843% (0.92 1.0 10.00 0.02 0.02) = 3.784% kept QB ARG+ 88 - HD3 ARG+ 48 7.143% * 3.3442% (0.76 1.0 1.00 0.21 0.02) = 3.344% kept HG3 GLN 83 - HD3 ARG+ 88 7.143% * 1.6024% (0.25 1.0 1.00 0.31 0.02) = 1.602% kept T HB2 LYS+ 11 - HD3 ARG+ 88 7.143% * 1.0271% (0.25 1.0 10.00 0.02 0.02) = 1.027% kept HG3 GLN 83 - HD3 ARG+ 48 7.143% * 0.3784% (0.92 1.0 1.00 0.02 0.02) = 0.378% HG2 MET 54 - HD3 ARG+ 88 7.143% * 0.2835% (0.11 1.0 1.00 0.12 0.02) = 0.283% HB2 GLU- 16 - HD3 ARG+ 48 7.143% * 0.0913% (0.22 1.0 1.00 0.02 0.02) = 0.091% QG PRO 12 - HD3 ARG+ 48 7.143% * 0.0811% (0.20 1.0 1.00 0.02 0.02) = 0.081% HB3 PRO 37 - HD3 ARG+ 48 7.143% * 0.0718% (0.17 1.0 1.00 0.02 0.02) = 0.072% HB2 GLU- 16 - HD3 ARG+ 88 7.143% * 0.0248% (0.06 1.0 1.00 0.02 0.02) = 0.025% QG PRO 12 - HD3 ARG+ 88 7.143% * 0.0220% (0.05 1.0 1.00 0.02 0.02) = 0.022% HB3 PRO 37 - HD3 ARG+ 88 7.143% * 0.0195% (0.05 1.0 1.00 0.02 0.02) = 0.019% Peak 2325 (1.60, 3.53, 66.95 ppm): 6 chemical-shift based assignments, quality = 0.533, support = 2.54, residual support = 14.3: T HG LEU 43 - QB SER 49 16.667% * 93.4695% (0.52 10.00 2.69 15.25) = 93.469% kept HB ILE 96 - QB SER 49 16.667% * 3.4473% (0.69 1.00 0.56 0.27) = 3.447% kept QG LYS+ 80 - QB SER 49 16.667% * 2.3658% (0.80 1.00 0.33 0.02) = 2.366% kept HB VAL 94 - QB SER 49 16.667% * 0.4549% (0.65 1.00 0.08 0.02) = 0.455% QB LEU 26 - QB SER 49 16.667% * 0.1761% (0.99 1.00 0.02 1.49) = 0.176% QG ARG+ 90 - QB SER 49 16.667% * 0.0865% (0.49 1.00 0.02 0.02) = 0.086% Peak 2326 (0.85, 3.53, 66.95 ppm): 4 chemical-shift based assignments, quality = 0.792, support = 3.92, residual support = 14.2: T QD2 LEU 43 - QB SER 49 25.000% * 92.6438% (0.80 10.00 4.17 15.25) = 92.644% kept QG2 VAL 40 - QB SER 49 25.000% * 4.0938% (0.99 1.00 0.71 0.37) = 4.094% kept QD1 ILE 14 - QB SER 49 25.000% * 2.6217% (0.45 1.00 1.01 1.73) = 2.622% kept QD1 ILE 95 - QB SER 49 25.000% * 0.6408% (0.52 1.00 0.21 0.02) = 0.641% Peak 2327 (0.74, 3.53, 66.95 ppm): 4 chemical-shift based assignments, quality = 0.691, support = 3.04, residual support = 14.5: T QD1 LEU 43 - QB SER 49 25.000% * 94.8589% (0.69 10.00 3.17 15.25) = 94.859% kept QG1 ILE 96 - QB SER 49 25.000% * 4.7300% (0.87 1.00 0.79 0.27) = 4.730% kept T QG2 VAL 71 - QB SER 49 25.000% * 0.2733% (0.20 10.00 0.02 0.02) = 0.273% QG1 VAL 61 - QB SER 49 25.000% * 0.1378% (1.00 1.00 0.02 0.02) = 0.138% Peak 2328 (0.85, 5.71, 56.55 ppm): 4 chemical-shift based assignments, quality = 0.792, support = 1.45, residual support = 8.72: QD2 LEU 43 - HA SER 49 25.000% * 55.3101% (0.79 2.04 15.25) = 55.310% kept QG2 VAL 40 - HA SER 49 25.000% * 27.8783% (0.98 0.83 0.37) = 27.878% kept QD1 ILE 14 - HA SER 49 25.000% * 10.5677% (0.44 0.70 1.73) = 10.568% kept QD1 ILE 95 - HA SER 49 25.000% * 6.2439% (0.52 0.35 0.02) = 6.244% kept Peak 2329 (4.80, 3.53, 66.95 ppm): 3 chemical-shift based assignments, quality = 0.517, support = 2.04, residual support = 11.8: HA TRP 50 - QB SER 49 33.333% * 75.3469% (0.41 2.61 15.65) = 75.347% kept HA TYR 81 - QB SER 49 33.333% * 20.8435% (0.92 0.32 0.02) = 20.844% kept HA THR 64 - QB SER 49 33.333% * 3.8096% (0.41 0.13 0.02) = 3.810% kept Peak 2330 (3.33, 3.53, 66.95 ppm): 1 chemical-shift based assignment, quality = 0.989, support = 3.17, residual support = 15.7: HB3 TRP 50 - QB SER 49 100.000% *100.0000% (0.99 3.17 15.65) = 100.000% kept Peak 2331 (7.28, 3.53, 66.95 ppm): 2 chemical-shift based assignments, quality = 0.277, support = 3.92, residual support = 15.9: O HN SER 49 - QB SER 49 50.000% * 96.9480% (0.28 10.0 4.02 16.39) = 96.948% kept HN ILE 14 - QB SER 49 50.000% * 3.0520% (0.28 1.0 0.63 1.73) = 3.052% kept Peak 2332 (8.12, 3.53, 66.95 ppm): 1 chemical-shift based assignment, quality = 0.515, support = 4.9, residual support = 46.2: HN ARG+ 48 - QB SER 49 100.000% *100.0000% (0.51 4.90 46.19) = 100.000% kept Peak 2333 (5.45, 3.44, 33.10 ppm): 2 chemical-shift based assignments, quality = 0.977, support = 3.15, residual support = 14.8: HA THR 51 - HB2 TRP 50 50.000% * 99.4322% (0.98 3.17 14.88) = 99.432% kept HA MET 54 - HB2 TRP 50 50.000% * 0.5678% (0.89 0.02 0.02) = 0.568% Peak 2334 (7.17, 3.44, 33.10 ppm): 1 chemical-shift based assignment, quality = 0.174, support = 0.75, residual support = 0.75: HN PHE 32 - HB2 TRP 50 100.000% *100.0000% (0.17 0.75 0.75) = 100.000% kept Not enough quality. Peak unassigned. Peak 2335 (8.18, 3.44, 33.10 ppm): 3 chemical-shift based assignments, quality = 0.869, support = 0.579, residual support = 1.01: HN SER 21 - HB2 TRP 50 33.333% * 68.9655% (0.98 0.69 1.38) = 68.966% kept HN GLU- 6 - HB2 TRP 50 33.333% * 16.1350% (0.31 0.52 0.34) = 16.135% kept HN ILE 38 - HB2 TRP 50 33.333% * 14.8995% (0.96 0.15 0.02) = 14.899% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2336 (9.06, 3.44, 33.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2337 (9.70, 3.44, 33.10 ppm): 1 chemical-shift based assignment, quality = 0.957, support = 2.9, residual support = 21.2: O HN TRP 50 - HB2 TRP 50 100.000% *100.0000% (0.96 10.0 2.90 21.16) = 100.000% kept Peak 2339 (4.82, 3.33, 33.10 ppm): 2 chemical-shift based assignments, quality = 0.879, support = 3.03, residual support = 20.6: O T HA TRP 50 - HB3 TRP 50 50.000% * 97.1574% (0.88 10.0 10.00 3.10 21.16) = 97.157% kept HA TYR 81 - HB3 TRP 50 50.000% * 2.8426% (0.88 1.0 1.00 0.59 0.02) = 2.843% kept Peak 2340 (7.17, 3.33, 33.10 ppm): 1 chemical-shift based assignment, quality = 0.273, support = 0.02, residual support = 0.75: HN PHE 32 - HB3 TRP 50 100.000% *100.0000% (0.27 0.02 0.75) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2341 (8.13, 3.33, 33.10 ppm): 1 chemical-shift based assignment, quality = 0.355, support = 2.43, residual support = 4.85: HN ARG+ 48 - HB3 TRP 50 100.000% *100.0000% (0.36 2.43 4.85) = 100.000% kept Peak 2342 (9.70, 3.33, 33.10 ppm): 1 chemical-shift based assignment, quality = 0.905, support = 2.58, residual support = 21.2: O HN TRP 50 - HB3 TRP 50 100.000% *100.0000% (0.90 10.0 2.58 21.16) = 100.000% kept Peak 2343 (5.76, 5.45, 63.55 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 0.75, residual support = 2.23: T HA ASP- 41 - HA THR 51 100.000% *100.0000% (0.98 10.00 0.75 2.23) = 100.000% kept Peak 2344 (1.28, 5.45, 63.55 ppm): 4 chemical-shift based assignments, quality = 0.602, support = 3.19, residual support = 22.0: O T QG2 THR 51 - HA THR 51 25.000% * 80.3946% (0.52 10.0 10.00 3.69 27.23) = 80.395% kept QD1 LEU 82 - HA THR 51 25.000% * 11.6705% (0.96 1.0 1.00 1.56 0.55) = 11.670% kept HD2 LYS+ 56 - HA THR 51 25.000% * 4.9573% (0.96 1.0 1.00 0.66 0.02) = 4.957% kept HB3 LEU 63 - HA THR 51 25.000% * 2.9776% (0.93 1.0 1.00 0.41 0.02) = 2.978% kept Peak 2345 (4.79, 3.96, 70.43 ppm): 2 chemical-shift based assignments, quality = 0.788, support = 1.03, residual support = 1.38: HA THR 64 - HB THR 51 50.000% * 76.2296% (0.89 1.13 1.63) = 76.230% kept HA TYR 81 - HB THR 51 50.000% * 23.7704% (0.45 0.70 0.57) = 23.770% kept Peak 2346 (1.29, 3.96, 70.43 ppm): 4 chemical-shift based assignments, quality = 0.835, support = 2.51, residual support = 24.0: O T QG2 THR 51 - HB THR 51 25.000% * 87.8284% (0.83 10.0 10.00 2.69 27.23) = 87.828% kept QD1 LEU 82 - HB THR 51 25.000% * 6.9130% (0.76 1.0 1.00 1.72 0.55) = 6.913% kept HD2 LYS+ 56 - HB THR 51 25.000% * 2.7199% (0.94 1.0 1.00 0.55 0.02) = 2.720% kept HB3 LEU 63 - HB THR 51 25.000% * 2.5387% (0.98 1.0 1.00 0.49 0.02) = 2.539% kept Peak 2347 (3.96, 1.30, 63.88 ppm): 4 chemical-shift based assignments, quality = 0.894, support = 2.69, residual support = 27.2: O T HB THR 51 - QG2 THR 51 25.000% * 99.9311% (0.89 10.0 10.00 2.69 27.23) = 99.931% kept HB THR 91 - QG2 THR 51 25.000% * 0.0248% (0.22 1.0 1.00 0.02 0.02) = 0.025% HA2 GLY 5 - QG2 THR 51 25.000% * 0.0221% (0.20 1.0 1.00 0.02 0.02) = 0.022% HA1 GLY 27 - QG2 THR 51 25.000% * 0.0221% (0.20 1.0 1.00 0.02 0.02) = 0.022% Peak 2348 (4.10, 1.30, 63.88 ppm): 2 chemical-shift based assignments, quality = 0.227, support = 0.348, residual support = 0.289: HB THR 39 - QG2 THR 51 50.000% * 83.9221% (0.15 0.41 0.34) = 83.922% kept HA GLU- 30 - QG2 THR 51 50.000% * 16.0779% (0.61 0.02 0.02) = 16.078% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2349 (4.79, 1.30, 63.88 ppm): 2 chemical-shift based assignments, quality = 0.786, support = 1.0, residual support = 1.38: HA THR 64 - QG2 THR 51 50.000% * 75.7771% (0.89 1.10 1.63) = 75.777% kept HA TYR 81 - QG2 THR 51 50.000% * 24.2229% (0.45 0.70 0.57) = 24.223% kept Peak 2350 (5.44, 1.30, 63.88 ppm): 2 chemical-shift based assignments, quality = 0.967, support = 3.3, residual support = 24.2: O T HA THR 51 - QG2 THR 51 50.000% * 88.8855% (0.96 10.0 10.00 3.69 27.23) = 88.886% kept T HA MET 54 - QG2 THR 51 50.000% * 11.1145% (1.00 1.0 10.00 0.24 0.02) = 11.114% kept Peak 2351 (5.28, 1.30, 63.88 ppm): 5 chemical-shift based assignments, quality = 0.917, support = 3.0, residual support = 28.9: HA VAL 52 - QG2 THR 51 20.000% * 94.8670% (0.94 3.16 30.40) = 94.867% kept HA THR 39 - QG2 THR 51 20.000% * 3.8242% (0.56 0.21 0.34) = 3.824% kept HA PHE 62 - QG2 THR 51 20.000% * 0.6132% (0.96 0.02 0.02) = 0.613% HA TYR 93 - QG2 THR 51 20.000% * 0.5699% (0.89 0.02 0.12) = 0.570% HA ARG+ 90 - QG2 THR 51 20.000% * 0.1257% (0.20 0.02 0.02) = 0.126% Peak 2352 (5.75, 1.30, 63.88 ppm): 1 chemical-shift based assignment, quality = 0.866, support = 0.75, residual support = 2.23: HA ASP- 41 - QG2 THR 51 100.000% *100.0000% (0.87 0.75 2.23) = 100.000% kept Peak 2353 (8.93, 5.38, 63.71 ppm): 3 chemical-shift based assignments, quality = 0.97, support = 2.44, residual support = 3.51: HN ASP- 41 - HA THR 91 33.333% * 82.3771% (0.99 2.82 4.11) = 82.377% kept HN VAL 65 - HA THR 91 33.333% * 17.3804% (0.89 0.66 0.68) = 17.380% kept HN GLU- 16 - HA THR 91 33.333% * 0.2424% (0.41 0.02 0.02) = 0.242% Peak 2354 (9.54, 5.38, 63.71 ppm): 1 chemical-shift based assignment, quality = 0.135, support = 2.7, residual support = 3.09: HN TYR 93 - HA THR 91 100.000% *100.0000% (0.14 2.70 3.09) = 100.000% kept Not enough quality. Peak unassigned. Peak 2355 (9.03, 5.45, 63.55 ppm): 2 chemical-shift based assignments, quality = 0.244, support = 4.35, residual support = 26.6: O HN THR 51 - HA THR 51 50.000% * 97.5854% (0.24 10.0 4.45 27.23) = 97.585% kept HN ILE 95 - HA THR 51 50.000% * 2.4146% (0.24 1.0 0.49 1.59) = 2.415% kept Peak 2356 (9.66, 5.45, 63.55 ppm): 1 chemical-shift based assignment, quality = 0.368, support = 4.76, residual support = 30.4: O HN VAL 52 - HA THR 51 100.000% *100.0000% (0.37 10.0 4.76 30.40) = 100.000% kept Peak 2357 (9.04, 3.96, 70.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2358 (9.67, 3.96, 70.43 ppm): 1 chemical-shift based assignment, quality = 0.175, support = 3.79, residual support = 30.4: HN VAL 52 - HB THR 51 100.000% *100.0000% (0.17 3.79 30.40) = 100.000% kept Peak 2359 (9.05, 1.30, 63.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2360 (9.15, 1.30, 63.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2361 (9.68, 1.30, 63.88 ppm): 1 chemical-shift based assignment, quality = 0.175, support = 1.97, residual support = 14.9: HN TRP 50 - QG2 THR 51 100.000% *100.0000% (0.17 1.97 14.88) = 100.000% kept Peak 2362 (8.79, 2.04, 35.55 ppm): 2 chemical-shift based assignments, quality = 0.845, support = 4.66, residual support = 34.7: HN ARG+ 53 - HB VAL 52 50.000% * 97.9591% (0.86 4.75 35.38) = 97.959% kept HN PHE 84 - HB VAL 52 50.000% * 2.0409% (0.15 0.56 0.02) = 2.041% kept Peak 2364 (9.65, 2.04, 35.55 ppm): 1 chemical-shift based assignment, quality = 0.681, support = 4.24, residual support = 81.4: O HN VAL 52 - HB VAL 52 100.000% *100.0000% (0.68 10.0 4.24 81.40) = 100.000% kept Peak 2365 (8.80, 5.29, 59.87 ppm): 2 chemical-shift based assignments, quality = 0.558, support = 4.79, residual support = 34.7: O HN ARG+ 53 - HA VAL 52 50.000% * 98.1262% (0.56 10.0 4.88 35.38) = 98.126% kept HN PHE 84 - HA VAL 52 50.000% * 1.8738% (0.37 1.0 0.58 0.02) = 1.874% kept Peak 2366 (9.64, 5.29, 59.87 ppm): 2 chemical-shift based assignments, quality = 0.937, support = 4.74, residual support = 81.4: O HN VAL 52 - HA VAL 52 50.000% * 99.9791% (0.94 10.0 4.74 81.40) = 99.979% kept HN ILE 85 - HA VAL 52 50.000% * 0.0209% (0.20 1.0 0.02 2.88) = 0.021% Peak 2367 (9.10, 5.29, 59.87 ppm): 2 chemical-shift based assignments, quality = 0.759, support = 2.36, residual support = 12.1: HN VAL 40 - HA VAL 52 50.000% * 98.9967% (0.76 2.38 12.21) = 98.997% kept HN GLU- 59 - HA VAL 52 50.000% * 1.0033% (0.91 0.02 0.02) = 1.003% kept Peak 2369 (9.17, 0.95, 63.55 ppm): 1 chemical-shift based assignment, quality = 0.448, support = 1.51, residual support = 2.9: HN TYR 81 - QG2 VAL 52 100.000% *100.0000% (0.45 1.51 2.90) = 100.000% kept Peak 2370 (8.80, 1.08, 23.42 ppm): 2 chemical-shift based assignments, quality = 0.555, support = 4.71, residual support = 33.5: HN ARG+ 53 - QG1 VAL 52 50.000% * 94.6760% (0.56 4.96 35.38) = 94.676% kept HN PHE 84 - QG1 VAL 52 50.000% * 5.3240% (0.37 0.42 0.02) = 5.324% kept Peak 2371 (8.96, 1.08, 23.42 ppm): 2 chemical-shift based assignments, quality = 0.179, support = 1.3, residual support = 0.676: HN VAL 65 - QG1 VAL 52 50.000% * 61.5156% (0.14 1.74 0.92) = 61.516% kept HN ASP- 41 - QG1 VAL 52 50.000% * 38.4844% (0.25 0.59 0.28) = 38.484% kept Not enough quality. Peak unassigned. Peak 2372 (9.51, 1.08, 23.42 ppm): 2 chemical-shift based assignments, quality = 0.799, support = 2.91, residual support = 14.1: HN TRP 67 - QG1 VAL 52 50.000% * 70.6665% (0.72 3.65 19.44) = 70.666% kept HN PHE 92 - QG1 VAL 52 50.000% * 29.3335% (0.98 1.12 1.20) = 29.334% kept Peak 2373 (9.66, 1.08, 23.42 ppm): 1 chemical-shift based assignment, quality = 0.374, support = 5.12, residual support = 81.4: HN VAL 52 - QG1 VAL 52 100.000% *100.0000% (0.37 5.12 81.40) = 100.000% kept Peak 2374 (8.79, 0.95, 63.55 ppm): 2 chemical-shift based assignments, quality = 0.852, support = 5.31, residual support = 34.6: HN ARG+ 53 - QG2 VAL 52 50.000% * 97.8060% (0.87 5.42 35.38) = 97.806% kept HN PHE 84 - QG2 VAL 52 50.000% * 2.1940% (0.15 0.68 0.02) = 2.194% kept Peak 2375 (9.65, 0.95, 63.55 ppm): 1 chemical-shift based assignment, quality = 0.687, support = 5.29, residual support = 81.4: HN VAL 52 - QG2 VAL 52 100.000% *100.0000% (0.69 5.29 81.40) = 100.000% kept Peak 2376 (9.51, 0.95, 63.55 ppm): 3 chemical-shift based assignments, quality = 0.95, support = 3.5, residual support = 15.2: HN TRP 67 - QG2 VAL 52 33.333% * 76.5275% (0.95 4.19 19.44) = 76.528% kept HN PHE 92 - QG2 VAL 52 33.333% * 23.4128% (0.97 1.26 1.20) = 23.413% kept HN LYS+ 11 - QG2 VAL 52 33.333% * 0.0596% (0.15 0.02 0.02) = 0.060% Peak 2377 (7.03, 0.95, 63.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2378 (7.03, 1.08, 23.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2379 (5.28, 1.08, 23.42 ppm): 5 chemical-shift based assignments, quality = 0.956, support = 4.42, residual support = 70.2: O T HA VAL 52 - QG1 VAL 52 20.000% * 86.2179% (0.98 10.0 10.00 4.84 81.40) = 86.218% kept HA PHE 62 - QG1 VAL 52 20.000% * 8.8316% (0.92 1.0 1.00 2.18 0.12) = 8.832% kept HA THR 39 - QG1 VAL 52 20.000% * 3.4138% (0.49 1.0 1.00 1.59 1.14) = 3.414% kept HA TYR 93 - QG1 VAL 52 20.000% * 1.5231% (0.94 1.0 1.00 0.37 0.02) = 1.523% kept HA ARG+ 90 - QG1 VAL 52 20.000% * 0.0136% (0.15 1.0 1.00 0.02 0.02) = 0.014% Peak 2380 (5.02, 1.08, 23.42 ppm): 3 chemical-shift based assignments, quality = 0.872, support = 2.0, residual support = 8.46: HA LEU 63 - QG1 VAL 52 33.333% * 65.0079% (0.99 2.48 12.61) = 65.008% kept HA VAL 94 - QG1 VAL 52 33.333% * 20.1207% (0.52 1.44 0.39) = 20.121% kept HA PHE 9 - QG1 VAL 52 33.333% * 14.8715% (0.83 0.67 1.22) = 14.871% kept Peak 2381 (5.45, 1.08, 23.42 ppm): 2 chemical-shift based assignments, quality = 0.883, support = 3.66, residual support = 23.7: HA THR 51 - QG1 VAL 52 50.000% * 76.1162% (0.92 4.30 30.40) = 76.116% kept HA MET 54 - QG1 VAL 52 50.000% * 23.8838% (0.76 1.63 2.15) = 23.884% kept Peak 2382 (5.45, 0.95, 63.55 ppm): 2 chemical-shift based assignments, quality = 0.88, support = 4.12, residual support = 22.8: HA THR 51 - QG2 VAL 52 50.000% * 72.9584% (0.92 4.84 30.40) = 72.958% kept HA MET 54 - QG2 VAL 52 50.000% * 27.0416% (0.76 2.17 2.15) = 27.042% kept Peak 2383 (5.28, 0.95, 63.55 ppm): 5 chemical-shift based assignments, quality = 0.868, support = 4.03, residual support = 61.0: O T HA VAL 52 - QG2 VAL 52 20.000% * 74.6361% (0.98 10.0 10.00 5.02 81.40) = 74.636% kept T HA THR 39 - QG2 VAL 52 20.000% * 22.3535% (0.49 1.0 10.00 1.21 1.14) = 22.353% kept HA PHE 62 - QG2 VAL 52 20.000% * 1.8592% (0.92 1.0 1.00 0.53 0.12) = 1.859% kept HA TYR 93 - QG2 VAL 52 20.000% * 1.1394% (0.95 1.0 1.00 0.32 0.02) = 1.139% kept HA ARG+ 90 - QG2 VAL 52 20.000% * 0.0117% (0.15 1.0 1.00 0.02 0.02) = 0.012% Peak 2384 (5.06, 0.95, 63.55 ppm): 4 chemical-shift based assignments, quality = 0.48, support = 0.899, residual support = 0.373: HA LYS+ 80 - QG2 VAL 52 25.000% * 43.6675% (0.61 0.92 0.43) = 43.667% kept HA1 GLY 66 - QG2 VAL 52 25.000% * 36.0209% (0.41 1.12 0.35) = 36.021% kept HA VAL 94 - QG2 VAL 52 25.000% * 14.0447% (0.34 0.53 0.39) = 14.045% kept HA LYS+ 56 - QG2 VAL 52 25.000% * 6.2669% (0.31 0.26 0.02) = 6.267% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2385 (1.08, 0.95, 63.55 ppm): 4 chemical-shift based assignments, quality = 0.979, support = 5.34, residual support = 79.6: O T QG1 VAL 52 - QG2 VAL 52 25.000% * 97.7636% (0.99 10.0 10.00 5.45 81.40) = 97.764% kept HG13 ILE 85 - QG2 VAL 52 25.000% * 1.9461% (0.53 1.0 1.00 0.75 2.88) = 1.946% kept HG2 LYS+ 56 - QG2 VAL 52 25.000% * 0.2708% (0.28 1.0 1.00 0.20 0.02) = 0.271% HG12 ILE 24 - QG2 VAL 52 25.000% * 0.0195% (0.20 1.0 1.00 0.02 10.45) = 0.020% Peak 2386 (0.31, 0.95, 63.55 ppm): 3 chemical-shift based assignments, quality = 0.591, support = 2.91, residual support = 3.9: T QG1 VAL 71 - QG2 VAL 52 33.333% * 58.7516% (0.41 10.00 2.03 2.73) = 58.752% kept QG1 VAL 7 - QG2 VAL 52 33.333% * 30.9781% (0.99 1.00 4.37 3.22) = 30.978% kept QD1 LEU 63 - QG2 VAL 52 33.333% * 10.2703% (0.41 1.00 3.50 12.61) = 10.270% kept Peak 2387 (0.60, 0.95, 63.55 ppm): 4 chemical-shift based assignments, quality = 0.215, support = 3.45, residual support = 9.12: T QD1 LEU 42 - QG2 VAL 52 25.000% * 66.6941% (0.18 10.00 3.94 10.25) = 66.694% kept QD2 LEU 22 - QG2 VAL 52 25.000% * 17.8952% (0.34 1.00 2.76 2.49) = 17.895% kept QD2 LEU 63 - QG2 VAL 52 25.000% * 10.5393% (0.20 1.00 2.80 12.61) = 10.539% kept QG2 ILE 24 - QG2 VAL 52 25.000% * 4.8713% (0.34 1.00 0.75 10.45) = 4.871% kept Peak 2388 (0.71, 0.95, 63.55 ppm): 2 chemical-shift based assignments, quality = 0.583, support = 1.1, residual support = 1.76: T QG1 ILE 96 - QG2 VAL 52 50.000% * 91.1835% (0.61 10.00 1.04 1.71) = 91.184% kept QG1 VAL 61 - QG2 VAL 52 50.000% * 8.8165% (0.34 1.00 1.78 2.31) = 8.816% kept Peak 2389 (1.26, 0.95, 63.55 ppm): 4 chemical-shift based assignments, quality = 0.475, support = 2.0, residual support = 3.63: T QD1 LEU 82 - QG2 VAL 52 25.000% * 60.5576% (0.53 10.00 2.34 3.48) = 60.558% kept T HB3 LEU 82 - QG2 VAL 52 25.000% * 35.2900% (0.41 10.00 1.49 3.48) = 35.290% kept HB3 LEU 63 - QG2 VAL 52 25.000% * 2.3290% (0.25 1.00 1.62 12.61) = 2.329% kept HD2 LYS+ 56 - QG2 VAL 52 25.000% * 1.8233% (0.31 1.00 1.03 0.02) = 1.823% kept Peak 2390 (1.82, 0.95, 63.55 ppm): 7 chemical-shift based assignments, quality = 0.754, support = 2.97, residual support = 22.0: T HG2 ARG+ 53 - QG2 VAL 52 14.286% * 47.9034% (0.76 10.00 3.91 35.38) = 47.903% kept T HG LEU 42 - QG2 VAL 52 14.286% * 45.5165% (0.73 10.00 2.25 10.25) = 45.517% kept HB ILE 24 - QG2 VAL 52 14.286% * 3.7665% (0.99 1.00 1.21 10.45) = 3.767% kept HD3 PRO 25 - QG2 VAL 52 14.286% * 2.5524% (0.80 1.00 1.02 0.31) = 2.552% kept QE MET 10 - QG2 VAL 52 14.286% * 0.2140% (0.53 1.00 0.13 0.02) = 0.214% HB3 ARG+ 90 - QG2 VAL 52 14.286% * 0.0258% (0.41 1.00 0.02 0.02) = 0.026% HB3 LYS+ 17 - QG2 VAL 52 14.286% * 0.0214% (0.34 1.00 0.02 0.02) = 0.021% Peak 2391 (2.01, 0.95, 63.55 ppm): 7 chemical-shift based assignments, quality = 0.423, support = 3.77, residual support = 48.4: O T HB VAL 52 - QG2 VAL 52 14.286% * 44.7748% (0.15 10.0 10.00 4.69 81.40) = 44.775% kept HB2 ARG+ 53 - QG2 VAL 52 14.286% * 32.8964% (0.53 1.0 1.00 4.31 35.38) = 32.896% kept HG3 MET 54 - QG2 VAL 52 14.286% * 16.3639% (0.80 1.0 1.00 1.41 2.15) = 16.364% kept HB2 LYS+ 20 - QG2 VAL 52 14.286% * 5.5677% (0.90 1.0 1.00 0.43 0.02) = 5.568% kept HB3 MET 1 - QG2 VAL 52 14.286% * 0.2801% (0.97 1.0 1.00 0.02 0.02) = 0.280% HG2 PRO 33 - QG2 VAL 52 14.286% * 0.0724% (0.25 1.0 1.00 0.02 0.02) = 0.072% HB VAL 65 - QG2 VAL 52 14.286% * 0.0448% (0.15 1.0 1.00 0.02 0.92) = 0.045% Peak 2392 (3.10, 0.95, 63.55 ppm): 4 chemical-shift based assignments, quality = 0.691, support = 2.66, residual support = 12.1: HB3 TRP 67 - QG2 VAL 52 25.000% * 59.6898% (0.61 3.75 19.44) = 59.690% kept HB2 PHE 9 - QG2 VAL 52 25.000% * 26.4094% (0.99 1.02 1.22) = 26.409% kept HB2 PHE 92 - QG2 VAL 52 25.000% * 13.8090% (0.49 1.08 1.20) = 13.809% kept QB PHE 32 - QG2 VAL 52 25.000% * 0.0918% (0.18 0.02 0.02) = 0.092% Peak 2393 (3.45, 0.95, 63.55 ppm): 4 chemical-shift based assignments, quality = 0.872, support = 3.38, residual support = 13.8: HB2 TRP 67 - QG2 VAL 52 25.000% * 65.3546% (0.98 4.12 19.44) = 65.355% kept HB2 TRP 50 - QG2 VAL 52 25.000% * 26.8433% (0.76 2.17 1.19) = 26.843% kept HA ILE 24 - QG2 VAL 52 25.000% * 7.7521% (0.34 1.40 10.45) = 7.752% kept HD2 ARG+ 90 - QG2 VAL 52 25.000% * 0.0500% (0.15 0.02 0.02) = 0.050% Peak 2394 (4.00, 0.95, 63.55 ppm): 4 chemical-shift based assignments, quality = 0.888, support = 1.76, residual support = 2.32: T HA1 GLY 5 - QG2 VAL 52 25.000% * 82.5866% (0.87 10.00 1.76 2.18) = 82.587% kept HB2 SER 15 - QG2 VAL 52 25.000% * 11.3375% (0.98 1.00 2.13 4.33) = 11.338% kept HA LYS+ 72 - QG2 VAL 52 25.000% * 6.0313% (1.00 1.00 1.11 0.47) = 6.031% kept HA1 GLY 58 - QG2 VAL 52 25.000% * 0.0446% (0.41 1.00 0.02 0.02) = 0.045% Peak 2395 (4.44, 0.95, 63.55 ppm): 6 chemical-shift based assignments, quality = 0.934, support = 3.39, residual support = 10.6: HA TRP 67 - QG2 VAL 52 16.667% * 41.1854% (0.92 4.00 19.44) = 41.185% kept HA GLU- 6 - QG2 VAL 52 16.667% * 38.8154% (0.97 3.61 4.42) = 38.815% kept HB THR 64 - QG2 VAL 52 16.667% * 18.9638% (0.95 1.80 4.40) = 18.964% kept HA1 GLY 98 - QG2 VAL 52 16.667% * 0.9173% (0.87 0.09 0.02) = 0.917% HA TYR 31 - QG2 VAL 52 16.667% * 0.0837% (0.38 0.02 0.02) = 0.084% HA VAL 61 - QG2 VAL 52 16.667% * 0.0344% (0.15 0.02 2.31) = 0.034% Peak 2396 (4.80, 0.95, 63.55 ppm): 3 chemical-shift based assignments, quality = 0.646, support = 2.41, residual support = 3.27: HA TYR 81 - QG2 VAL 52 33.333% * 50.9018% (0.76 2.57 2.90) = 50.902% kept HA THR 64 - QG2 VAL 52 33.333% * 37.6539% (0.61 2.39 4.40) = 37.654% kept HA TRP 50 - QG2 VAL 52 33.333% * 11.4443% (0.25 1.77 1.19) = 11.444% kept Peak 2397 (4.77, 1.08, 23.42 ppm): 3 chemical-shift based assignments, quality = 0.595, support = 2.36, residual support = 3.73: HA THR 64 - QG1 VAL 52 33.333% * 70.1832% (0.56 1.00 3.30 4.40) = 70.183% kept T HA ILE 85 - QG1 VAL 52 33.333% * 21.8811% (0.65 10.00 0.09 2.88) = 21.881% kept HA LYS+ 55 - QG1 VAL 52 33.333% * 7.9358% (0.72 1.00 0.29 0.17) = 7.936% kept Peak 2398 (4.43, 1.08, 23.42 ppm): 5 chemical-shift based assignments, quality = 0.867, support = 3.02, residual support = 12.9: HA TRP 67 - QG1 VAL 52 20.000% * 56.7312% (0.99 3.68 19.44) = 56.731% kept HB THR 64 - QG1 VAL 52 20.000% * 28.9174% (0.69 2.71 4.40) = 28.917% kept HA GLU- 6 - QG1 VAL 52 20.000% * 12.8281% (0.72 1.14 4.42) = 12.828% kept HA1 GLY 98 - QG1 VAL 52 20.000% * 1.4753% (1.00 0.09 0.02) = 1.475% kept HA TYR 31 - QG1 VAL 52 20.000% * 0.0480% (0.15 0.02 0.02) = 0.048% Peak 2399 (3.99, 1.08, 23.42 ppm): 5 chemical-shift based assignments, quality = 0.751, support = 1.9, residual support = 7.11: HB2 SER 15 - QG1 VAL 52 20.000% * 51.1125% (0.94 1.98 4.33) = 51.113% kept HA LYS+ 72 - QG1 VAL 52 20.000% * 18.5312% (0.87 0.78 0.47) = 18.531% kept HA1 GLY 5 - QG1 VAL 52 20.000% * 15.5473% (0.56 1.01 2.18) = 15.547% kept HB THR 51 - QG1 VAL 52 20.000% * 14.7134% (0.14 3.99 30.40) = 14.713% kept HA1 GLY 58 - QG1 VAL 52 20.000% * 0.0955% (0.17 0.02 0.02) = 0.096% Peak 2400 (3.44, 1.08, 23.42 ppm): 4 chemical-shift based assignments, quality = 0.739, support = 2.79, residual support = 11.3: T HA ILE 24 - QG1 VAL 52 25.000% * 69.6439% (0.65 10.00 2.59 10.45) = 69.644% kept HB2 TRP 67 - QG1 VAL 52 25.000% * 19.9347% (0.94 1.00 3.91 19.44) = 19.935% kept HB2 TRP 50 - QG1 VAL 52 25.000% * 10.3811% (0.98 1.00 1.97 1.19) = 10.381% kept HD2 ARG+ 90 - QG1 VAL 52 25.000% * 0.0404% (0.37 1.00 0.02 0.02) = 0.040% Peak 2401 (3.10, 1.08, 23.42 ppm): 4 chemical-shift based assignments, quality = 0.713, support = 2.66, residual support = 11.0: HB3 TRP 67 - QG1 VAL 52 25.000% * 53.8220% (0.61 3.79 19.44) = 53.822% kept HB2 PHE 9 - QG1 VAL 52 25.000% * 32.4191% (0.99 1.40 1.22) = 32.419% kept HB2 PHE 92 - QG1 VAL 52 25.000% * 13.6769% (0.49 1.20 1.20) = 13.677% kept QB PHE 32 - QG1 VAL 52 25.000% * 0.0821% (0.17 0.02 0.02) = 0.082% Peak 2402 (2.02, 1.08, 23.42 ppm): 7 chemical-shift based assignments, quality = 0.547, support = 4.04, residual support = 62.2: O T HB VAL 52 - QG1 VAL 52 14.286% * 64.3854% (0.37 10.0 10.00 4.54 81.40) = 64.385% kept HB2 ARG+ 53 - QG1 VAL 52 14.286% * 27.2705% (0.83 1.0 1.00 3.81 35.38) = 27.271% kept HG3 MET 54 - QG1 VAL 52 14.286% * 7.9313% (0.99 1.0 1.00 0.93 2.15) = 7.931% kept HB3 MET 1 - QG1 VAL 52 14.286% * 0.1656% (0.96 1.0 1.00 0.02 0.02) = 0.166% HB2 LYS+ 20 - QG1 VAL 52 14.286% * 0.1041% (0.61 1.0 1.00 0.02 0.02) = 0.104% HG2 PRO 33 - QG1 VAL 52 14.286% * 0.0903% (0.52 1.0 1.00 0.02 0.02) = 0.090% HB ILE 38 - QG1 VAL 52 14.286% * 0.0529% (0.31 1.0 1.00 0.02 0.02) = 0.053% Peak 2403 (1.83, 1.08, 23.42 ppm): 9 chemical-shift based assignments, quality = 0.743, support = 2.43, residual support = 14.1: HB ILE 24 - QG1 VAL 52 11.111% * 32.2123% (0.92 2.27 10.45) = 32.212% kept HG2 ARG+ 53 - QG1 VAL 52 11.111% * 26.7796% (0.45 3.89 35.38) = 26.780% kept HD3 PRO 25 - QG1 VAL 52 11.111% * 25.2071% (0.99 1.66 0.31) = 25.207% kept HG LEU 42 - QG1 VAL 52 11.111% * 11.9769% (0.41 1.90 10.25) = 11.977% kept QE MET 10 - QG1 VAL 52 11.111% * 3.3882% (0.83 0.26 0.02) = 3.388% kept HB3 ARG+ 90 - QG1 VAL 52 11.111% * 0.2230% (0.72 0.02 0.02) = 0.223% HG3 PRO 33 - QG1 VAL 52 11.111% * 0.1048% (0.34 0.02 0.02) = 0.105% HB3 PRO 33 - QG1 VAL 52 11.111% * 0.0608% (0.20 0.02 0.02) = 0.061% HB3 LYS+ 11 - QG1 VAL 52 11.111% * 0.0474% (0.15 0.02 0.02) = 0.047% Peak 2404 (0.31, 1.08, 23.42 ppm): 3 chemical-shift based assignments, quality = 0.611, support = 3.39, residual support = 7.89: QD1 LEU 63 - QG1 VAL 52 33.333% * 50.5308% (0.41 5.24 12.61) = 50.531% kept QG1 VAL 7 - QG1 VAL 52 33.333% * 34.7366% (0.99 1.49 3.22) = 34.737% kept QG1 VAL 71 - QG1 VAL 52 33.333% * 14.7326% (0.41 1.53 2.73) = 14.733% kept Peak 2405 (0.60, 1.08, 23.42 ppm): 4 chemical-shift based assignments, quality = 0.279, support = 3.48, residual support = 10.1: T QG2 ILE 24 - QG1 VAL 52 25.000% * 55.3861% (0.34 10.00 3.53 10.45) = 55.386% kept T QD1 LEU 42 - QG1 VAL 52 25.000% * 28.4362% (0.17 10.00 2.69 10.25) = 28.436% kept QD2 LEU 63 - QG1 VAL 52 25.000% * 9.9580% (0.20 1.00 6.20 12.61) = 9.958% kept QD2 LEU 22 - QG1 VAL 52 25.000% * 6.2197% (0.34 1.00 2.25 2.49) = 6.220% kept Peak 2406 (0.72, 1.08, 23.42 ppm): 3 chemical-shift based assignments, quality = 0.675, support = 1.12, residual support = 2.18: T QG1 VAL 61 - QG1 VAL 52 33.333% * 82.6374% (0.65 10.00 1.06 2.31) = 82.637% kept QG1 ILE 96 - QG1 VAL 52 33.333% * 15.4393% (0.89 1.00 1.43 1.71) = 15.439% kept QD1 LEU 43 - QG1 VAL 52 33.333% * 1.9233% (0.17 1.00 0.91 0.24) = 1.923% kept Peak 2407 (0.95, 1.08, 23.42 ppm): 6 chemical-shift based assignments, quality = 0.831, support = 4.63, residual support = 68.0: O T QG2 VAL 52 - QG1 VAL 52 16.667% * 83.0647% (0.89 10.0 10.00 5.45 81.40) = 83.065% kept T QG2 ILE 14 - QG1 VAL 52 16.667% * 15.1196% (0.52 1.0 10.00 0.62 2.01) = 15.120% kept QD2 LEU 82 - QG1 VAL 52 16.667% * 1.1217% (0.72 1.0 1.00 0.33 3.48) = 1.122% kept HG3 LYS+ 56 - QG1 VAL 52 16.667% * 0.3379% (0.56 1.0 1.00 0.13 0.02) = 0.338% HB3 ARG+ 48 - QG1 VAL 52 16.667% * 0.3304% (0.94 1.0 1.00 0.08 0.02) = 0.330% QD1 LEU 26 - QG1 VAL 52 16.667% * 0.0258% (0.28 1.0 1.00 0.02 0.02) = 0.026% Peak 2408 (0.31, 2.04, 35.55 ppm): 3 chemical-shift based assignments, quality = 0.64, support = 1.79, residual support = 7.07: QD1 LEU 63 - HB VAL 52 33.333% * 41.8925% (0.41 2.74 12.61) = 41.893% kept QG1 VAL 7 - HB VAL 52 33.333% * 40.3934% (0.98 1.09 3.22) = 40.393% kept QG1 VAL 71 - HB VAL 52 33.333% * 17.7141% (0.41 1.16 2.73) = 17.714% kept Peak 2409 (0.60, 2.04, 35.55 ppm): 4 chemical-shift based assignments, quality = 0.257, support = 1.98, residual support = 7.57: T QD2 LEU 22 - HB VAL 52 25.000% * 43.6956% (0.34 10.00 1.68 2.49) = 43.696% kept T QD2 LEU 63 - HB VAL 52 25.000% * 30.1413% (0.20 10.00 2.68 12.61) = 30.141% kept T QD1 LEU 42 - HB VAL 52 25.000% * 23.1683% (0.17 10.00 1.74 10.25) = 23.168% kept QG2 ILE 24 - HB VAL 52 25.000% * 2.9947% (0.34 1.00 1.15 10.45) = 2.995% kept Peak 2410 (0.94, 2.04, 35.55 ppm): 6 chemical-shift based assignments, quality = 0.633, support = 4.59, residual support = 79.6: O T QG2 VAL 52 - HB VAL 52 16.667% * 97.7454% (0.64 10.0 10.00 4.69 81.40) = 97.745% kept QD2 LEU 82 - HB VAL 52 16.667% * 1.4595% (0.44 1.0 1.00 0.43 3.48) = 1.460% kept HB3 ARG+ 48 - HB VAL 52 16.667% * 0.4138% (0.72 1.0 1.00 0.08 0.02) = 0.414% QG2 ILE 14 - HB VAL 52 16.667% * 0.2552% (0.28 1.0 1.00 0.12 2.01) = 0.255% QD1 LEU 26 - HB VAL 52 16.667% * 0.0795% (0.52 1.0 1.00 0.02 0.02) = 0.079% HG3 LYS+ 56 - HB VAL 52 16.667% * 0.0466% (0.31 1.0 1.00 0.02 0.02) = 0.047% Peak 2411 (1.08, 2.04, 35.55 ppm): 4 chemical-shift based assignments, quality = 0.973, support = 4.47, residual support = 79.8: O T QG1 VAL 52 - HB VAL 52 25.000% * 98.0021% (0.98 10.0 10.00 4.54 81.40) = 98.002% kept HG13 ILE 85 - HB VAL 52 25.000% * 1.9508% (0.52 1.0 1.00 0.75 2.88) = 1.951% kept HG2 LYS+ 56 - HB VAL 52 25.000% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.027% HG12 ILE 24 - HB VAL 52 25.000% * 0.0196% (0.20 1.0 1.00 0.02 10.45) = 0.020% Peak 2412 (1.07, 5.29, 59.87 ppm): 3 chemical-shift based assignments, quality = 0.794, support = 4.68, residual support = 78.4: O T QG1 VAL 52 - HA VAL 52 33.333% * 96.1701% (0.79 10.0 10.00 4.84 81.40) = 96.170% kept HG13 ILE 85 - HA VAL 52 33.333% * 3.7619% (0.83 1.0 1.00 0.75 2.88) = 3.762% kept HG2 LYS+ 56 - HA VAL 52 33.333% * 0.0680% (0.56 1.0 1.00 0.02 0.02) = 0.068% Peak 2413 (0.94, 5.29, 59.87 ppm): 6 chemical-shift based assignments, quality = 0.635, support = 4.93, residual support = 79.8: O T QG2 VAL 52 - HA VAL 52 16.667% * 97.9368% (0.64 10.0 10.00 5.02 81.40) = 97.937% kept QD2 LEU 82 - HA VAL 52 16.667% * 1.4801% (0.44 1.0 1.00 0.44 3.48) = 1.480% kept HB3 ARG+ 48 - HA VAL 52 16.667% * 0.4146% (0.72 1.0 1.00 0.08 0.02) = 0.415% QD1 LEU 26 - HA VAL 52 16.667% * 0.0797% (0.52 1.0 1.00 0.02 0.02) = 0.080% HG3 LYS+ 56 - HA VAL 52 16.667% * 0.0467% (0.31 1.0 1.00 0.02 0.02) = 0.047% QG2 ILE 14 - HA VAL 52 16.667% * 0.0421% (0.28 1.0 1.00 0.02 2.01) = 0.042% Peak 2415 (4.75, 1.95, 32.17 ppm): 6 chemical-shift based assignments, quality = 0.472, support = 4.22, residual support = 59.7: O HA ARG+ 53 - HB3 ARG+ 53 16.667% * 90.5151% (0.44 10.0 4.62 65.93) = 90.515% kept HA LYS+ 55 - HB3 ARG+ 53 16.667% * 5.5535% (0.93 1.0 0.58 1.11) = 5.553% kept HA ILE 85 - HB3 ARG+ 53 16.667% * 1.6112% (0.96 1.0 0.16 0.02) = 1.611% kept HA LYS+ 20 - HB3 ARG+ 53 16.667% * 1.5973% (0.44 1.0 0.35 0.02) = 1.597% kept HA ALA 34 - HB3 ARG+ 53 16.667% * 0.6918% (0.59 1.0 0.11 0.02) = 0.692% HA HIS 99 - HB3 ARG+ 53 16.667% * 0.0312% (0.15 1.0 0.02 0.02) = 0.031% Peak 2416 (8.79, 1.95, 32.17 ppm): 2 chemical-shift based assignments, quality = 0.879, support = 4.22, residual support = 65.9: O HN ARG+ 53 - HB3 ARG+ 53 50.000% * 99.9849% (0.88 10.0 4.22 65.93) = 99.985% kept HN PHE 84 - HB3 ARG+ 53 50.000% * 0.0151% (0.13 1.0 0.02 0.02) = 0.015% Peak 2417 (8.91, 1.95, 32.17 ppm): 4 chemical-shift based assignments, quality = 0.755, support = 0.911, residual support = 2.6: HN LEU 63 - HB3 ARG+ 53 25.000% * 42.5505% (0.90 0.97 5.12) = 42.551% kept HN VAL 65 - HB3 ARG+ 53 25.000% * 28.5525% (0.48 1.24 1.28) = 28.553% kept HN GLU- 16 - HB3 ARG+ 53 25.000% * 23.3995% (0.93 0.52 0.15) = 23.399% kept HN ASP- 41 - HB3 ARG+ 53 25.000% * 5.4975% (0.30 0.38 0.28) = 5.497% kept Peak 2418 (6.76, 2.03, 32.17 ppm): 2 chemical-shift based assignments, quality = 0.248, support = 0.977, residual support = 1.39: HN ASN 74 - HB2 ARG+ 53 50.000% * 54.9322% (0.37 0.49 0.23) = 54.932% kept HN ASN 74 - HG3 MET 54 50.000% * 45.0678% (0.10 1.56 2.81) = 45.068% kept Peak 2419 (6.93, 2.03, 32.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2420 (8.79, 2.03, 32.17 ppm): 4 chemical-shift based assignments, quality = 0.857, support = 4.84, residual support = 63.7: O HN ARG+ 53 - HB2 ARG+ 53 25.000% * 95.1915% (0.89 10.0 4.88 65.93) = 95.191% kept HN ARG+ 53 - HG3 MET 54 25.000% * 4.7904% (0.23 1.0 3.88 19.87) = 4.790% kept HN PHE 84 - HB2 ARG+ 53 25.000% * 0.0144% (0.13 1.0 0.02 0.02) = 0.014% HN PHE 84 - HG3 MET 54 25.000% * 0.0037% (0.03 1.0 0.02 0.02) = 0.004% Peak 2421 (8.92, 2.03, 32.17 ppm): 8 chemical-shift based assignments, quality = 0.638, support = 1.78, residual support = 3.36: HN VAL 65 - HB2 ARG+ 53 12.500% * 29.6115% (0.96 1.63 1.28) = 29.612% kept HN LEU 63 - HB2 ARG+ 53 12.500% * 20.5058% (0.41 2.65 5.12) = 20.506% kept HN ASP- 41 - HB2 ARG+ 53 12.500% * 17.5730% (0.83 1.12 0.28) = 17.573% kept HN GLU- 16 - HB2 ARG+ 53 12.500% * 10.2455% (0.83 0.65 0.15) = 10.246% kept HN LEU 63 - HG3 MET 54 12.500% * 8.1094% (0.11 4.04 22.10) = 8.109% kept HN VAL 65 - HG3 MET 54 12.500% * 6.1823% (0.25 1.31 0.39) = 6.182% kept HN ASP- 41 - HG3 MET 54 12.500% * 4.8214% (0.21 1.18 0.02) = 4.821% kept HN GLU- 16 - HG3 MET 54 12.500% * 2.9510% (0.21 0.72 1.53) = 2.951% kept Peak 2422 (4.74, 1.79, 28.27 ppm): 24 chemical-shift based assignments, quality = 0.725, support = 4.82, residual support = 62.5: O HA ARG+ 53 - HG3 ARG+ 53 4.167% * 75.0403% (0.89 10.0 4.85 65.93) = 75.040% kept O HA ARG+ 53 - HG2 ARG+ 53 4.167% * 19.7804% (0.24 10.0 5.86 65.93) = 19.780% kept HA LYS+ 55 - HG3 ARG+ 53 4.167% * 1.6369% (0.42 1.0 0.92 1.11) = 1.637% kept HA ILE 85 - HG3 ARG+ 53 4.167% * 0.7357% (0.50 1.0 0.35 0.02) = 0.736% HA ALA 34 - HG2 ARG+ 53 4.167% * 0.6430% (0.25 1.0 0.62 0.02) = 0.643% HA ALA 34 - HG3 ARG+ 53 4.167% * 0.4471% (0.94 1.0 0.11 0.02) = 0.447% HA LYS+ 55 - HG2 ARG+ 53 4.167% * 0.4424% (0.11 1.0 0.94 1.11) = 0.442% HA ARG+ 53 - HG LEU 42 4.167% * 0.2794% (0.26 1.0 0.25 2.89) = 0.279% HA ARG+ 53 - HG LEU 82 4.167% * 0.2408% (0.25 1.0 0.23 0.02) = 0.241% HA ILE 85 - HG LEU 42 4.167% * 0.2333% (0.15 1.0 0.38 1.59) = 0.233% HA ILE 85 - HG2 ARG+ 53 4.167% * 0.2156% (0.13 1.0 0.39 0.02) = 0.216% HA LYS+ 20 - HG3 ARG+ 53 4.167% * 0.0750% (0.89 1.0 0.02 0.02) = 0.075% HA HIS 99 - HG3 ARG+ 53 4.167% * 0.0481% (0.57 1.0 0.02 0.02) = 0.048% HA ALA 34 - HG LEU 42 4.167% * 0.0233% (0.28 1.0 0.02 0.02) = 0.023% HA ALA 34 - HG LEU 82 4.167% * 0.0225% (0.27 1.0 0.02 0.02) = 0.023% HA LYS+ 20 - HG LEU 42 4.167% * 0.0221% (0.26 1.0 0.02 0.02) = 0.022% HA LYS+ 20 - HG LEU 82 4.167% * 0.0214% (0.25 1.0 0.02 0.02) = 0.021% HA LYS+ 20 - HG2 ARG+ 53 4.167% * 0.0198% (0.24 1.0 0.02 0.02) = 0.020% HA HIS 99 - HG LEU 42 4.167% * 0.0141% (0.17 1.0 0.02 0.02) = 0.014% HA HIS 99 - HG LEU 82 4.167% * 0.0137% (0.16 1.0 0.02 0.02) = 0.014% HA HIS 99 - HG2 ARG+ 53 4.167% * 0.0127% (0.15 1.0 0.02 0.02) = 0.013% HA ILE 85 - HG LEU 82 4.167% * 0.0119% (0.14 1.0 0.02 0.02) = 0.012% HA LYS+ 55 - HG LEU 42 4.167% * 0.0105% (0.12 1.0 0.02 0.21) = 0.010% HA LYS+ 55 - HG LEU 82 4.167% * 0.0101% (0.12 1.0 0.02 4.95) = 0.010% Peak 2423 (2.33, 1.81, 28.27 ppm): 6 chemical-shift based assignments, quality = 0.9, support = 0.425, residual support = 0.474: HB2 PRO 33 - HG2 ARG+ 53 16.667% * 83.2304% (0.96 0.49 0.57) = 83.230% kept QG GLU- 59 - HG2 ARG+ 53 16.667% * 11.4740% (0.51 0.13 0.02) = 11.474% kept HB2 PRO 33 - HG LEU 42 16.667% * 3.3214% (0.94 0.02 0.02) = 3.321% kept QG GLU- 59 - HG LEU 42 16.667% * 1.7514% (0.50 0.02 0.02) = 1.751% kept HB2 PRO 33 - HG LEU 82 16.667% * 0.1459% (0.04 0.02 0.02) = 0.146% QG GLU- 59 - HG LEU 82 16.667% * 0.0769% (0.02 0.02 0.02) = 0.077% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2424 (4.74, 1.81, 28.27 ppm): 18 chemical-shift based assignments, quality = 0.673, support = 5.16, residual support = 57.2: O HA ARG+ 53 - HG2 ARG+ 53 5.556% * 86.5989% (0.66 10.0 5.86 65.93) = 86.599% kept HA LYS+ 55 - HG2 ARG+ 53 5.556% * 4.5471% (0.74 1.0 0.94 1.11) = 4.547% kept HA ALA 34 - HG2 ARG+ 53 5.556% * 3.2452% (0.81 1.0 0.62 0.02) = 3.245% kept HA ILE 85 - HG2 ARG+ 53 5.556% * 2.0635% (0.81 1.0 0.39 0.02) = 2.064% kept HA ILE 85 - HG LEU 42 5.556% * 1.9631% (0.79 1.0 0.38 1.59) = 1.963% kept HA ARG+ 53 - HG LEU 42 5.556% * 1.0753% (0.65 1.0 0.25 2.89) = 1.075% kept HA ALA 34 - HG LEU 42 5.556% * 0.1032% (0.79 1.0 0.02 0.02) = 0.103% HA LYS+ 55 - HG LEU 42 5.556% * 0.0944% (0.72 1.0 0.02 0.21) = 0.094% HA LYS+ 20 - HG2 ARG+ 53 5.556% * 0.0866% (0.66 1.0 0.02 0.02) = 0.087% HA LYS+ 20 - HG LEU 42 5.556% * 0.0849% (0.65 1.0 0.02 0.02) = 0.085% HA ARG+ 53 - HG LEU 82 5.556% * 0.0420% (0.03 1.0 0.23 0.02) = 0.042% HA HIS 99 - HG2 ARG+ 53 5.556% * 0.0389% (0.30 1.0 0.02 0.02) = 0.039% HA HIS 99 - HG LEU 42 5.556% * 0.0381% (0.29 1.0 0.02 0.02) = 0.038% HA ALA 34 - HG LEU 82 5.556% * 0.0045% (0.03 1.0 0.02 0.02) = 0.005% HA ILE 85 - HG LEU 82 5.556% * 0.0045% (0.03 1.0 0.02 0.02) = 0.005% HA LYS+ 55 - HG LEU 82 5.556% * 0.0041% (0.03 1.0 0.02 4.95) = 0.004% HA LYS+ 20 - HG LEU 82 5.556% * 0.0037% (0.03 1.0 0.02 0.02) = 0.004% HA HIS 99 - HG LEU 82 5.556% * 0.0017% (0.01 1.0 0.02 0.02) = 0.002% Peak 2425 (2.02, 3.40, 43.49 ppm): 16 chemical-shift based assignments, quality = 0.942, support = 3.77, residual support = 55.1: O HB2 ARG+ 53 - QD ARG+ 53 6.250% * 74.9820% (1.00 10.0 3.99 65.93) = 74.982% kept HG3 MET 54 - QD ARG+ 53 6.250% * 12.5056% (0.90 1.0 3.72 19.87) = 12.506% kept HB VAL 52 - QD ARG+ 53 6.250% * 8.9259% (0.73 1.0 3.28 35.38) = 8.926% kept HB ILE 38 - QD ARG+ 53 6.250% * 2.3600% (0.65 1.0 0.97 0.22) = 2.360% kept HG2 PRO 33 - QD ARG+ 53 6.250% * 0.7352% (0.87 1.0 0.23 0.57) = 0.735% HB2 LYS+ 20 - QD ARG+ 53 6.250% * 0.3800% (0.28 1.0 0.36 0.02) = 0.380% HB3 MET 1 - QD ARG+ 53 6.250% * 0.0515% (0.69 1.0 0.02 0.02) = 0.052% QG PRO 12 - QD ARG+ 53 6.250% * 0.0256% (0.34 1.0 0.02 0.02) = 0.026% HB2 ARG+ 53 - HD2 ARG+ 90 6.250% * 0.0063% (0.08 1.0 0.02 0.02) = 0.006% HG3 MET 54 - HD2 ARG+ 90 6.250% * 0.0056% (0.08 1.0 0.02 0.10) = 0.006% HG2 PRO 33 - HD2 ARG+ 90 6.250% * 0.0054% (0.07 1.0 0.02 0.02) = 0.005% HB VAL 52 - HD2 ARG+ 90 6.250% * 0.0046% (0.06 1.0 0.02 0.02) = 0.005% HB3 MET 1 - HD2 ARG+ 90 6.250% * 0.0043% (0.06 1.0 0.02 0.02) = 0.004% HB ILE 38 - HD2 ARG+ 90 6.250% * 0.0041% (0.05 1.0 0.02 1.48) = 0.004% QG PRO 12 - HD2 ARG+ 90 6.250% * 0.0021% (0.03 1.0 0.02 0.02) = 0.002% HB2 LYS+ 20 - HD2 ARG+ 90 6.250% * 0.0017% (0.02 1.0 0.02 0.02) = 0.002% Peak 2426 (1.79, 3.40, 43.49 ppm): 18 chemical-shift based assignments, quality = 0.67, support = 3.1, residual support = 61.8: O HG3 ARG+ 53 - QD ARG+ 53 5.556% * 61.8308% (0.80 10.0 2.70 65.93) = 61.831% kept O HG2 ARG+ 53 - QD ARG+ 53 5.556% * 31.7450% (0.41 10.0 4.26 65.93) = 31.745% kept HD2 LYS+ 55 - QD ARG+ 53 5.556% * 3.6074% (0.92 1.0 1.01 1.11) = 3.607% kept HG LEU 42 - QD ARG+ 53 5.556% * 2.5467% (0.45 1.0 1.47 2.89) = 2.547% kept HG LEU 82 - QD ARG+ 53 5.556% * 0.0730% (0.95 1.0 0.02 0.02) = 0.073% HB3 LYS+ 17 - QD ARG+ 53 5.556% * 0.0645% (0.84 1.0 0.02 0.02) = 0.064% HB3 LYS+ 20 - QD ARG+ 53 5.556% * 0.0590% (0.76 1.0 0.02 0.02) = 0.059% HB ILE 95 - QD ARG+ 53 5.556% * 0.0238% (0.31 1.0 0.02 0.02) = 0.024% HB VAL 61 - QD ARG+ 53 5.556% * 0.0135% (0.18 1.0 0.02 0.69) = 0.014% HG LEU 82 - HD2 ARG+ 90 5.556% * 0.0061% (0.08 1.0 0.02 0.02) = 0.006% HD2 LYS+ 55 - HD2 ARG+ 90 5.556% * 0.0060% (0.08 1.0 0.02 2.84) = 0.006% HB3 LYS+ 17 - HD2 ARG+ 90 5.556% * 0.0054% (0.07 1.0 0.02 0.02) = 0.005% HG3 ARG+ 53 - HD2 ARG+ 90 5.556% * 0.0052% (0.07 1.0 0.02 0.02) = 0.005% HB3 LYS+ 20 - HD2 ARG+ 90 5.556% * 0.0049% (0.06 1.0 0.02 0.02) = 0.005% HG LEU 42 - HD2 ARG+ 90 5.556% * 0.0029% (0.04 1.0 0.02 2.92) = 0.003% HG2 ARG+ 53 - HD2 ARG+ 90 5.556% * 0.0027% (0.03 1.0 0.02 0.02) = 0.003% HB ILE 95 - HD2 ARG+ 90 5.556% * 0.0020% (0.03 1.0 0.02 0.02) = 0.002% HB VAL 61 - HD2 ARG+ 90 5.556% * 0.0011% (0.01 1.0 0.02 0.02) = 0.001% Peak 2427 (1.15, 3.40, 43.49 ppm): 10 chemical-shift based assignments, quality = 0.684, support = 0.847, residual support = 0.567: HG3 ARG+ 48 - QD ARG+ 53 10.000% * 46.7826% (0.90 1.00 1.22 0.85) = 46.783% kept HB3 LEU 43 - QD ARG+ 53 10.000% * 26.1241% (0.73 1.00 0.84 0.34) = 26.124% kept T QG2 ILE 38 - QD ARG+ 53 10.000% * 23.7463% (0.25 10.00 0.22 0.22) = 23.746% kept HG3 ARG+ 88 - QD ARG+ 53 10.000% * 2.3641% (0.65 1.00 0.09 1.26) = 2.364% kept QG2 VAL 65 - QD ARG+ 53 10.000% * 0.7407% (0.87 1.00 0.02 1.28) = 0.741% HG3 ARG+ 48 - HD2 ARG+ 90 10.000% * 0.0641% (0.08 1.00 0.02 3.03) = 0.064% QG2 VAL 65 - HD2 ARG+ 90 10.000% * 0.0620% (0.07 1.00 0.02 0.02) = 0.062% HB3 LEU 43 - HD2 ARG+ 90 10.000% * 0.0519% (0.06 1.00 0.02 0.18) = 0.052% HG3 ARG+ 88 - HD2 ARG+ 90 10.000% * 0.0463% (0.05 1.00 0.02 0.02) = 0.046% QG2 ILE 38 - HD2 ARG+ 90 10.000% * 0.0178% (0.02 1.00 0.02 1.48) = 0.018% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2428 (4.75, 3.40, 43.49 ppm): 10 chemical-shift based assignments, quality = 0.455, support = 4.92, residual support = 58.8: T HA ARG+ 53 - QD ARG+ 53 10.000% * 89.0841% (0.41 10.00 5.46 65.93) = 89.084% kept HA LYS+ 55 - QD ARG+ 53 10.000% * 7.3884% (0.97 1.00 0.71 1.11) = 7.388% kept HA ILE 85 - QD ARG+ 53 10.000% * 1.7486% (0.99 1.00 0.16 0.02) = 1.749% kept T HA LYS+ 20 - QD ARG+ 53 10.000% * 0.8908% (0.41 10.00 0.02 0.02) = 0.891% HA ALA 34 - QD ARG+ 53 10.000% * 0.6930% (0.57 1.00 0.11 0.02) = 0.693% T HA ARG+ 53 - HD2 ARG+ 90 10.000% * 0.0746% (0.03 10.00 0.02 0.02) = 0.075% T HA LYS+ 20 - HD2 ARG+ 90 10.000% * 0.0746% (0.03 10.00 0.02 0.02) = 0.075% HA ILE 85 - HD2 ARG+ 90 10.000% * 0.0180% (0.08 1.00 0.02 0.02) = 0.018% HA LYS+ 55 - HD2 ARG+ 90 10.000% * 0.0175% (0.08 1.00 0.02 2.84) = 0.018% HA ALA 34 - HD2 ARG+ 90 10.000% * 0.0103% (0.05 1.00 0.02 0.02) = 0.010% Peak 2429 (8.07, 3.40, 43.49 ppm): 8 chemical-shift based assignments, quality = 0.887, support = 2.96, residual support = 12.1: HN MET 54 - QD ARG+ 53 12.500% * 55.4723% (0.97 4.24 19.87) = 55.472% kept HN ARG+ 48 - QD ARG+ 53 12.500% * 18.0769% (0.99 1.34 0.85) = 18.077% kept HN LEU 22 - QD ARG+ 53 12.500% * 13.1930% (0.76 1.27 2.84) = 13.193% kept HN ASP- 89 - QD ARG+ 53 12.500% * 7.8023% (0.87 0.66 0.29) = 7.802% kept HN ASP- 89 - HD2 ARG+ 90 12.500% * 3.1691% (0.07 3.22 15.74) = 3.169% kept HN LEU 22 - HD2 ARG+ 90 12.500% * 1.9750% (0.06 2.28 1.75) = 1.975% kept HN MET 54 - HD2 ARG+ 90 12.500% * 0.2888% (0.08 0.26 0.10) = 0.289% HN ARG+ 48 - HD2 ARG+ 90 12.500% * 0.0226% (0.08 0.02 3.03) = 0.023% Peak 2430 (0.32, 1.20, 58.70 ppm): 4 chemical-shift based assignments, quality = 0.667, support = 2.78, residual support = 21.2: QD1 LEU 63 - QE MET 54 25.000% * 96.0156% (0.69 2.90 22.10) = 96.016% kept QD1 ILE 24 - QE MET 54 25.000% * 2.4079% (0.31 0.16 0.58) = 2.408% kept QG1 VAL 7 - QE MET 54 25.000% * 0.9133% (0.95 0.02 0.02) = 0.913% QG1 VAL 71 - QE MET 54 25.000% * 0.6632% (0.69 0.02 1.04) = 0.663% Peak 2431 (0.57, 1.20, 58.70 ppm): 2 chemical-shift based assignments, quality = 0.984, support = 5.17, residual support = 18.7: QD2 LEU 63 - QE MET 54 50.000% * 57.9119% (1.00 5.78 22.10) = 57.912% kept QD2 LEU 22 - QE MET 54 50.000% * 42.0881% (0.97 4.34 13.92) = 42.088% kept Peak 2432 (0.72, 1.20, 58.70 ppm): 3 chemical-shift based assignments, quality = 0.708, support = 2.38, residual support = 8.8: T QG1 VAL 61 - QE MET 54 33.333% * 96.3538% (0.73 10.00 2.39 8.90) = 96.354% kept QD1 LEU 43 - QE MET 54 33.333% * 3.5206% (0.22 1.00 2.38 6.40) = 3.521% kept QG1 ILE 96 - QE MET 54 33.333% * 0.1255% (0.95 1.00 0.02 0.02) = 0.126% Peak 2433 (0.82, 1.20, 58.70 ppm): 6 chemical-shift based assignments, quality = 0.514, support = 2.64, residual support = 8.24: T QG2 VAL 61 - QE MET 54 16.667% * 86.6594% (0.49 10.00 2.95 8.90) = 86.659% kept QD1 ILE 14 - QE MET 54 16.667% * 4.4672% (0.65 1.00 0.78 0.14) = 4.467% kept HG13 ILE 24 - QE MET 54 16.667% * 4.3806% (0.99 1.00 0.50 0.58) = 4.381% kept HG LEU 22 - QE MET 54 16.667% * 3.5768% (0.57 1.00 0.71 13.92) = 3.577% kept QG2 ILE 96 - QE MET 54 16.667% * 0.8224% (0.31 1.00 0.30 0.02) = 0.822% HB2 LEU 76 - QE MET 54 16.667% * 0.0937% (0.53 1.00 0.02 0.02) = 0.094% Peak 2434 (0.98, 1.20, 58.70 ppm): 8 chemical-shift based assignments, quality = 0.757, support = 2.63, residual support = 3.79: QG2 THR 64 - QE MET 54 12.500% * 37.8906% (0.98 3.50 5.20) = 37.891% kept QG1 VAL 40 - QE MET 54 12.500% * 21.9605% (0.80 2.48 6.95) = 21.961% kept HG3 LYS+ 56 - QE MET 54 12.500% * 11.5380% (0.34 3.06 1.61) = 11.538% kept QG2 ILE 85 - QE MET 54 12.500% * 10.0609% (0.97 0.94 0.49) = 10.061% kept QD2 LEU 82 - QE MET 54 12.500% * 6.7032% (0.22 2.73 0.61) = 6.703% kept QD1 ILE 38 - QE MET 54 12.500% * 6.1459% (0.61 0.92 0.12) = 6.146% kept QG2 ILE 14 - QE MET 54 12.500% * 5.5241% (0.38 1.33 0.14) = 5.524% kept HG LEU 76 - QE MET 54 12.500% * 0.1768% (0.80 0.02 0.02) = 0.177% Peak 2435 (1.84, 1.20, 58.70 ppm): 9 chemical-shift based assignments, quality = 0.51, support = 3.82, residual support = 26.1: T HB3 PRO 33 - QE MET 54 11.111% * 51.7187% (0.57 10.00 3.71 11.25) = 51.719% kept T QB MET 54 - QE MET 54 11.111% * 31.1605% (0.34 10.00 4.88 61.01) = 31.161% kept HG3 PRO 33 - QE MET 54 11.111% * 11.4287% (0.76 1.00 3.27 11.25) = 11.429% kept T HB3 LYS+ 11 - QE MET 54 11.111% * 2.6892% (0.49 10.00 0.12 0.11) = 2.689% kept HB3 ARG+ 90 - QE MET 54 11.111% * 1.0108% (1.00 1.00 0.22 0.10) = 1.011% kept QE MET 10 - QE MET 54 11.111% * 0.9616% (0.99 1.00 0.21 0.26) = 0.962% HB ILE 24 - QE MET 54 11.111% * 0.6691% (0.53 1.00 0.28 0.58) = 0.669% HD3 PRO 25 - QE MET 54 11.111% * 0.3359% (0.84 1.00 0.09 0.02) = 0.336% QB LYS+ 72 - QE MET 54 11.111% * 0.0254% (0.28 1.00 0.02 0.02) = 0.025% Peak 2436 (2.01, 1.20, 58.70 ppm): 6 chemical-shift based assignments, quality = 0.553, support = 4.0, residual support = 39.9: O T HG3 MET 54 - QE MET 54 16.667% * 52.3075% (0.73 10.0 10.00 4.68 61.01) = 52.307% kept T HB2 ARG+ 53 - QE MET 54 16.667% * 32.2952% (0.45 1.0 10.00 3.23 19.87) = 32.295% kept T HG2 PRO 33 - QE MET 54 16.667% * 14.2555% (0.20 1.0 10.00 3.62 11.25) = 14.255% kept T HB3 MET 1 - QE MET 54 16.667% * 0.6650% (0.92 1.0 10.00 0.02 0.02) = 0.665% HB2 LYS+ 20 - QE MET 54 16.667% * 0.4627% (0.95 1.0 1.00 0.14 0.02) = 0.463% HB VAL 65 - QE MET 54 16.667% * 0.0143% (0.20 1.0 1.00 0.02 0.39) = 0.014% Peak 2437 (2.30, 1.20, 58.70 ppm): 3 chemical-shift based assignments, quality = 0.608, support = 1.17, residual support = 2.32: QG GLU- 16 - QE MET 54 33.333% * 60.1950% (0.65 1.53 1.53) = 60.195% kept QG GLU- 59 - QE MET 54 33.333% * 20.0631% (0.69 0.48 0.14) = 20.063% kept HB VAL 40 - QE MET 54 33.333% * 19.7419% (0.41 0.79 6.95) = 19.742% kept Peak 2438 (2.56, 1.20, 58.70 ppm): 7 chemical-shift based assignments, quality = 0.779, support = 1.05, residual support = 1.75: T HE2 LYS+ 56 - QE MET 54 14.286% * 54.4311% (1.00 10.00 0.87 1.61) = 54.431% kept T HD3 PRO 35 - QE MET 54 14.286% * 21.8518% (0.18 10.00 2.18 3.89) = 21.852% kept T HB3 TYR 81 - QE MET 54 14.286% * 18.4504% (0.90 10.00 0.33 0.02) = 18.450% kept HB3 PHE 13 - QE MET 54 14.286% * 2.9153% (0.92 1.00 0.51 0.84) = 2.915% kept HB3 ASP- 41 - QE MET 54 14.286% * 1.8334% (0.22 1.00 1.32 0.02) = 1.833% kept HB3 ASN 75 - QE MET 54 14.286% * 0.4028% (0.15 1.00 0.42 0.18) = 0.403% HG3 MET 1 - QE MET 54 14.286% * 0.1152% (0.92 1.00 0.02 0.02) = 0.115% Peak 2439 (2.97, 1.20, 58.70 ppm): 9 chemical-shift based assignments, quality = 0.859, support = 2.32, residual support = 12.8: QE LYS+ 55 - QE MET 54 11.111% * 52.4436% (0.90 3.77 22.34) = 52.444% kept HB2 ASP- 89 - QE MET 54 11.111% * 13.4909% (0.80 1.09 2.09) = 13.491% kept HD3 ARG+ 48 - QE MET 54 11.111% * 11.3754% (0.99 0.74 5.85) = 11.375% kept HE3 LYS+ 60 - QE MET 54 11.111% * 8.6877% (0.87 0.65 0.02) = 8.688% kept QE LYS+ 17 - QE MET 54 11.111% * 5.5712% (0.65 0.56 3.05) = 5.571% kept HB3 PHE 9 - QE MET 54 11.111% * 3.6061% (0.53 0.44 0.02) = 3.606% kept HD3 ARG+ 88 - QE MET 54 11.111% * 3.4415% (1.00 0.22 0.02) = 3.441% kept QE LYS+ 11 - QE MET 54 11.111% * 1.3221% (0.22 0.38 0.11) = 1.322% kept QE LYS+ 72 - QE MET 54 11.111% * 0.0614% (0.20 0.02 0.02) = 0.061% Peak 2440 (3.07, 1.20, 58.70 ppm): 3 chemical-shift based assignments, quality = 0.944, support = 1.87, residual support = 3.35: QB PHE 32 - QE MET 54 33.333% * 86.0900% (1.00 2.11 3.85) = 86.090% kept HB2 PHE 92 - QE MET 54 33.333% * 10.1912% (0.76 0.33 0.33) = 10.191% kept HB2 PHE 9 - QE MET 54 33.333% * 3.7188% (0.20 0.46 0.02) = 3.719% kept Peak 2441 (3.72, 1.20, 58.70 ppm): 3 chemical-shift based assignments, quality = 0.336, support = 1.03, residual support = 3.24: T HD2 PRO 35 - QE MET 54 33.333% * 81.6828% (0.28 10.00 1.11 3.89) = 81.683% kept HA2 GLY 79 - QE MET 54 33.333% * 12.8641% (0.73 1.00 0.67 0.31) = 12.864% kept HA2 GLY 47 - QE MET 54 33.333% * 5.4531% (0.28 1.00 0.74 0.36) = 5.453% kept Peak 2442 (4.36, 1.20, 58.70 ppm): 7 chemical-shift based assignments, quality = 0.659, support = 1.56, residual support = 5.52: HA PRO 33 - QE MET 54 14.286% * 36.8995% (0.69 1.00 3.55 11.25) = 36.900% kept T HB THR 4 - QE MET 54 14.286% * 25.6767% (0.57 10.00 0.30 3.06) = 25.677% kept T HA THR 4 - QE MET 54 14.286% * 17.9285% (0.76 10.00 0.15 3.06) = 17.929% kept HA1 GLY 47 - QE MET 54 14.286% * 7.0255% (0.41 1.00 1.13 0.36) = 7.025% kept HA ILE 14 - QE MET 54 14.286% * 6.8002% (0.95 1.00 0.47 0.14) = 6.800% kept HA ASP- 73 - QE MET 54 14.286% * 3.8760% (0.34 1.00 0.75 0.02) = 3.876% kept HA ILE 38 - QE MET 54 14.286% * 1.7935% (0.92 1.00 0.13 0.12) = 1.794% kept Peak 2443 (4.75, 1.20, 58.70 ppm): 6 chemical-shift based assignments, quality = 0.779, support = 4.09, residual support = 15.3: HA LYS+ 55 - QE MET 54 16.667% * 48.4276% (0.90 5.30 22.34) = 48.428% kept HA ARG+ 53 - QE MET 54 16.667% * 21.7101% (0.53 4.05 19.87) = 21.710% kept HA ALA 34 - QE MET 54 16.667% * 19.4263% (0.69 2.78 0.63) = 19.426% kept HA ILE 85 - QE MET 54 16.667% * 10.2885% (0.95 1.07 0.49) = 10.288% kept HA LYS+ 20 - QE MET 54 16.667% * 0.1072% (0.53 0.02 0.02) = 0.107% HA HIS 99 - QE MET 54 16.667% * 0.0403% (0.20 0.02 0.02) = 0.040% Peak 2444 (5.22, 1.20, 58.70 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 1.94, residual support = 3.85: HA PHE 32 - QE MET 54 100.000% *100.0000% (0.98 1.94 3.85) = 100.000% kept Peak 2445 (5.43, 1.20, 58.70 ppm): 2 chemical-shift based assignments, quality = 0.646, support = 4.83, residual support = 61.0: T HA MET 54 - QE MET 54 50.000% * 99.9307% (0.65 10.00 4.83 61.01) = 99.931% kept HA THR 51 - QE MET 54 50.000% * 0.0693% (0.45 1.00 0.02 0.02) = 0.069% Peak 2446 (2.56, 2.02, 32.48 ppm): 21 chemical-shift based assignments, quality = 0.415, support = 1.91, residual support = 30.3: O T HG3 MET 1 - HB3 MET 1 4.762% * 48.7689% (0.22 10.0 10.00 3.00 60.21) = 48.769% kept T HD3 PRO 35 - HG3 MET 54 4.762% * 16.5330% (0.17 1.0 10.00 0.85 3.89) = 16.533% kept HE2 LYS+ 56 - HG3 MET 54 4.762% * 13.4050% (0.99 1.0 1.00 1.21 1.61) = 13.405% kept HB3 PHE 13 - HG3 MET 54 4.762% * 8.3912% (0.91 1.0 1.00 0.82 0.84) = 8.391% kept HB3 TYR 81 - HG3 MET 54 4.762% * 4.5361% (0.89 1.0 1.00 0.45 0.02) = 4.536% kept HB3 ASP- 41 - HG3 MET 54 4.762% * 3.6369% (0.22 1.0 1.00 1.47 0.02) = 3.637% kept T HG3 MET 1 - HG3 MET 54 4.762% * 2.0531% (0.91 1.0 10.00 0.02 0.02) = 2.053% kept HE2 LYS+ 56 - HB2 ARG+ 53 4.762% * 1.2062% (0.29 1.0 1.00 0.37 0.02) = 1.206% kept T HG3 MET 1 - HB2 ARG+ 53 4.762% * 0.6033% (0.27 1.0 10.00 0.02 0.02) = 0.603% HB3 PHE 13 - HB2 ARG+ 53 4.762% * 0.2263% (0.27 1.0 1.00 0.08 0.02) = 0.226% HB3 ASN 75 - HG3 MET 54 4.762% * 0.1476% (0.15 1.0 1.00 0.09 0.18) = 0.148% T HD3 PRO 35 - HB2 ARG+ 53 4.762% * 0.1144% (0.05 1.0 10.00 0.02 0.02) = 0.114% T HD3 PRO 35 - HB3 MET 1 4.762% * 0.0925% (0.04 1.0 10.00 0.02 0.02) = 0.093% HB3 TYR 81 - HB2 ARG+ 53 4.762% * 0.0586% (0.26 1.0 1.00 0.02 0.02) = 0.059% HE2 LYS+ 56 - HB3 MET 1 4.762% * 0.0528% (0.24 1.0 1.00 0.02 0.02) = 0.053% HB3 PHE 13 - HB3 MET 1 4.762% * 0.0488% (0.22 1.0 1.00 0.02 0.02) = 0.049% HB3 TYR 81 - HB3 MET 1 4.762% * 0.0474% (0.21 1.0 1.00 0.02 0.02) = 0.047% HB3 ASP- 41 - HB3 MET 1 4.762% * 0.0451% (0.05 1.0 1.00 0.08 0.02) = 0.045% HB3 ASP- 41 - HB2 ARG+ 53 4.762% * 0.0145% (0.06 1.0 1.00 0.02 0.28) = 0.015% HB3 ASN 75 - HB2 ARG+ 53 4.762% * 0.0101% (0.04 1.0 1.00 0.02 0.02) = 0.010% HB3 ASN 75 - HB3 MET 1 4.762% * 0.0082% (0.04 1.0 1.00 0.02 0.02) = 0.008% Peak 2447 (4.28, 2.02, 32.48 ppm): 15 chemical-shift based assignments, quality = 0.565, support = 0.245, residual support = 0.0366: T HA PRO 12 - HG3 MET 54 6.667% * 92.4593% (0.60 10.00 0.26 0.02) = 92.459% kept T HA PRO 12 - HB2 ARG+ 53 6.667% * 2.1039% (0.18 10.00 0.02 0.02) = 2.104% kept HA PHE 13 - HG3 MET 54 6.667% * 2.0630% (0.13 1.00 0.26 0.84) = 2.063% kept T HA PRO 12 - HB3 MET 1 6.667% * 1.7009% (0.14 10.00 0.02 0.02) = 1.701% kept HA ASN 75 - HG3 MET 54 6.667% * 0.6211% (0.52 1.00 0.02 0.18) = 0.621% HA GLU- 59 - HG3 MET 54 6.667% * 0.2336% (0.20 1.00 0.02 0.14) = 0.234% HA ASN 75 - HB2 ARG+ 53 6.667% * 0.1825% (0.15 1.00 0.02 0.02) = 0.183% HA PHE 28 - HG3 MET 54 6.667% * 0.1822% (0.15 1.00 0.02 0.02) = 0.182% HA ASN 75 - HB3 MET 1 6.667% * 0.1475% (0.12 1.00 0.02 0.02) = 0.148% HA GLU- 59 - HB2 ARG+ 53 6.667% * 0.0686% (0.06 1.00 0.02 0.02) = 0.069% HA GLU- 59 - HB3 MET 1 6.667% * 0.0555% (0.05 1.00 0.02 0.02) = 0.055% HA PHE 28 - HB2 ARG+ 53 6.667% * 0.0535% (0.04 1.00 0.02 0.02) = 0.054% HA PHE 13 - HB2 ARG+ 53 6.667% * 0.0469% (0.04 1.00 0.02 0.02) = 0.047% HA PHE 28 - HB3 MET 1 6.667% * 0.0433% (0.04 1.00 0.02 0.02) = 0.043% HA PHE 13 - HB3 MET 1 6.667% * 0.0380% (0.03 1.00 0.02 0.02) = 0.038% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2448 (4.43, 2.02, 32.48 ppm): 12 chemical-shift based assignments, quality = 0.493, support = 0.406, residual support = 1.57: HB THR 64 - HG3 MET 54 8.333% * 26.0395% (0.56 0.32 5.20) = 26.039% kept HB THR 64 - HB2 ARG+ 53 8.333% * 24.2633% (0.16 1.01 0.75) = 24.263% kept HA1 GLY 98 - HG3 MET 54 8.333% * 13.4740% (0.97 0.09 0.02) = 13.474% kept HA TRP 67 - HG3 MET 54 8.333% * 12.7917% (0.94 0.09 0.02) = 12.792% kept HA TRP 67 - HB2 ARG+ 53 8.333% * 12.7056% (0.28 0.32 0.22) = 12.706% kept HA GLU- 6 - HB2 ARG+ 53 8.333% * 5.9978% (0.18 0.23 0.02) = 5.998% kept HA GLU- 6 - HG3 MET 54 8.333% * 1.7587% (0.60 0.02 0.02) = 1.759% kept HA1 GLY 98 - HB2 ARG+ 53 8.333% * 0.8351% (0.29 0.02 0.02) = 0.835% HA1 GLY 98 - HB3 MET 1 8.333% * 0.6751% (0.23 0.02 0.02) = 0.675% HA TRP 67 - HB3 MET 1 8.333% * 0.6515% (0.22 0.02 0.02) = 0.652% HA GLU- 6 - HB3 MET 1 8.333% * 0.4177% (0.14 0.02 0.02) = 0.418% HB THR 64 - HB3 MET 1 8.333% * 0.3899% (0.13 0.02 0.02) = 0.390% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2449 (5.43, 2.02, 32.48 ppm): 6 chemical-shift based assignments, quality = 0.537, support = 4.52, residual support = 51.5: O T HA MET 54 - HG3 MET 54 16.667% * 77.0856% (0.64 10.0 10.00 4.69 61.01) = 77.086% kept T HA MET 54 - HB2 ARG+ 53 16.667% * 22.6495% (0.19 1.0 10.00 4.01 19.87) = 22.649% kept T HA MET 54 - HB3 MET 1 16.667% * 0.1831% (0.15 1.0 10.00 0.02 0.02) = 0.183% HA THR 51 - HG3 MET 54 16.667% * 0.0534% (0.44 1.0 1.00 0.02 0.02) = 0.053% HA THR 51 - HB2 ARG+ 53 16.667% * 0.0157% (0.13 1.0 1.00 0.02 0.02) = 0.016% HA THR 51 - HB3 MET 1 16.667% * 0.0127% (0.11 1.0 1.00 0.02 0.02) = 0.013% Peak 2450 (5.43, 2.10, 32.48 ppm): 4 chemical-shift based assignments, quality = 0.64, support = 4.02, residual support = 60.9: O T HA MET 54 - HG2 MET 54 25.000% * 99.7886% (0.64 10.0 10.00 4.03 61.01) = 99.789% kept T HA MET 54 - HB2 MET 1 25.000% * 0.1330% (0.09 1.0 10.00 0.02 0.02) = 0.133% HA THR 51 - HG2 MET 54 25.000% * 0.0692% (0.44 1.0 1.00 0.02 0.02) = 0.069% HA THR 51 - HB2 MET 1 25.000% * 0.0092% (0.06 1.0 1.00 0.02 0.02) = 0.009% Peak 2451 (0.55, 5.44, 54.98 ppm): 3 chemical-shift based assignments, quality = 0.416, support = 4.55, residual support = 18.9: T QD2 LEU 63 - HA MET 54 33.333% * 61.1462% (0.49 10.00 5.13 22.10) = 61.146% kept T QD2 LEU 22 - HA MET 54 33.333% * 38.7725% (0.31 10.00 3.65 13.92) = 38.773% kept QG2 ILE 95 - HA MET 54 33.333% * 0.0813% (0.65 1.00 0.02 0.02) = 0.081% Peak 2452 (0.98, 5.44, 54.98 ppm): 8 chemical-shift based assignments, quality = 0.796, support = 1.83, residual support = 3.71: QG2 THR 64 - HA MET 54 12.500% * 38.4511% (0.98 2.51 5.20) = 38.451% kept QG1 VAL 40 - HA MET 54 12.500% * 20.2986% (0.80 1.62 6.95) = 20.299% kept QG2 ILE 85 - HA MET 54 12.500% * 17.8221% (0.96 1.18 0.49) = 17.822% kept HG3 LYS+ 56 - HA MET 54 12.500% * 11.0728% (0.34 2.08 1.61) = 11.073% kept QD2 LEU 82 - HA MET 54 12.500% * 4.6866% (0.22 1.35 0.61) = 4.687% kept QD1 ILE 38 - HA MET 54 12.500% * 4.4901% (0.61 0.47 0.12) = 4.490% kept QG2 ILE 14 - HA MET 54 12.500% * 2.9284% (0.37 0.50 0.14) = 2.928% kept HG LEU 76 - HA MET 54 12.500% * 0.2503% (0.80 0.02 0.02) = 0.250% Peak 2453 (1.21, 5.44, 54.98 ppm): 8 chemical-shift based assignments, quality = 0.942, support = 4.42, residual support = 54.2: T QE MET 54 - HA MET 54 12.500% * 88.2033% (0.99 10.00 4.83 61.01) = 88.203% kept QG2 THR 39 - HA MET 54 12.500% * 5.6689% (0.72 1.00 1.75 4.69) = 5.669% kept QG2 THR 4 - HA MET 54 12.500% * 3.6474% (0.69 1.00 1.19 3.06) = 3.647% kept HD3 LYS+ 56 - HA MET 54 12.500% * 1.2668% (0.28 1.00 1.02 1.61) = 1.267% kept HG3 GLU- 23 - HA MET 54 12.500% * 0.6441% (0.98 1.00 0.15 0.02) = 0.644% HB3 LYS+ 56 - HA MET 54 12.500% * 0.4720% (0.17 1.00 0.61 1.61) = 0.472% HB3 LEU 42 - HA MET 54 12.500% * 0.0576% (0.65 1.00 0.02 0.26) = 0.058% QG1 VAL 65 - HA MET 54 12.500% * 0.0399% (0.45 1.00 0.02 0.39) = 0.040% Peak 2454 (1.33, 5.44, 54.98 ppm): 5 chemical-shift based assignments, quality = 0.547, support = 0.433, residual support = 8.54: T QG2 THR 51 - HA MET 54 20.000% * 39.8350% (0.22 10.00 0.24 0.02) = 39.835% kept HG LEU 63 - HA MET 54 20.000% * 38.4835% (0.72 1.00 0.72 22.10) = 38.484% kept HG12 ILE 14 - HA MET 54 20.000% * 20.1238% (0.89 1.00 0.30 0.14) = 20.124% kept QG LYS+ 60 - HA MET 54 20.000% * 0.8376% (0.56 1.00 0.02 0.02) = 0.838% QB ALA 34 - HA MET 54 20.000% * 0.7201% (0.49 1.00 0.02 0.63) = 0.720% Peak 2455 (2.01, 1.86, 37.10 ppm): 12 chemical-shift based assignments, quality = 0.696, support = 4.35, residual support = 53.2: O HG3 MET 54 - QB MET 54 8.333% * 83.9018% (0.72 10.0 4.68 61.01) = 83.902% kept HB2 ARG+ 53 - QB MET 54 8.333% * 10.0818% (0.45 1.0 3.89 19.87) = 10.082% kept HB2 LYS+ 20 - QB MET 54 8.333% * 4.0038% (0.94 1.0 0.73 0.02) = 4.004% kept HB2 LYS+ 20 - HB3 LYS+ 11 8.333% * 1.1190% (0.45 1.0 0.43 0.02) = 1.119% kept HG3 MET 54 - HB3 LYS+ 11 8.333% * 0.6441% (0.34 1.0 0.32 0.11) = 0.644% HB3 MET 1 - QB MET 54 8.333% * 0.1067% (0.92 1.0 0.02 0.02) = 0.107% HB3 MET 1 - HB3 LYS+ 11 8.333% * 0.0507% (0.44 1.0 0.02 0.02) = 0.051% HB2 ARG+ 53 - HB3 LYS+ 11 8.333% * 0.0246% (0.21 1.0 0.02 0.02) = 0.025% HB VAL 65 - QB MET 54 8.333% * 0.0229% (0.20 1.0 0.02 0.39) = 0.023% HG2 PRO 33 - QB MET 54 8.333% * 0.0229% (0.20 1.0 0.02 11.25) = 0.023% HB VAL 65 - HB3 LYS+ 11 8.333% * 0.0109% (0.09 1.0 0.02 0.10) = 0.011% HG2 PRO 33 - HB3 LYS+ 11 8.333% * 0.0109% (0.09 1.0 0.02 0.02) = 0.011% Peak 2456 (2.09, 1.86, 37.10 ppm): 14 chemical-shift based assignments, quality = 0.753, support = 4.32, residual support = 61.1: O HG2 MET 54 - QB MET 54 7.143% * 68.1317% (0.92 10.0 1.00 4.12 61.01) = 68.132% kept O T HB2 LYS+ 11 - HB3 LYS+ 11 7.143% * 30.4344% (0.41 10.0 10.00 4.96 64.06) = 30.434% kept T HB2 LYS+ 11 - QB MET 54 7.143% * 0.6402% (0.87 1.0 10.00 0.02 0.11) = 0.640% HG2 MET 54 - HB3 LYS+ 11 7.143% * 0.4683% (0.44 1.0 1.00 0.29 0.11) = 0.468% QB ARG+ 88 - QB MET 54 7.143% * 0.0723% (0.98 1.0 1.00 0.02 0.02) = 0.072% HB2 GLU- 16 - QB MET 54 7.143% * 0.0536% (0.72 1.0 1.00 0.02 1.53) = 0.054% HB3 PRO 37 - QB MET 54 7.143% * 0.0477% (0.65 1.0 1.00 0.02 0.02) = 0.048% QB ARG+ 88 - HB3 LYS+ 11 7.143% * 0.0344% (0.46 1.0 1.00 0.02 0.02) = 0.034% HG3 GLN 83 - QB MET 54 7.143% * 0.0303% (0.41 1.0 1.00 0.02 1.51) = 0.030% HB2 GLU- 16 - HB3 LYS+ 11 7.143% * 0.0255% (0.34 1.0 1.00 0.02 0.02) = 0.025% HB3 PRO 37 - HB3 LYS+ 11 7.143% * 0.0227% (0.31 1.0 1.00 0.02 0.02) = 0.023% HB2 MET 1 - QB MET 54 7.143% * 0.0164% (0.22 1.0 1.00 0.02 0.02) = 0.016% HG3 GLN 83 - HB3 LYS+ 11 7.143% * 0.0144% (0.19 1.0 1.00 0.02 0.50) = 0.014% HB2 MET 1 - HB3 LYS+ 11 7.143% * 0.0078% (0.11 1.0 1.00 0.02 0.02) = 0.008% Peak 2457 (1.20, 1.86, 37.10 ppm): 14 chemical-shift based assignments, quality = 0.923, support = 4.16, residual support = 50.2: T QE MET 54 - QB MET 54 7.143% * 81.5739% (0.96 10.00 4.88 61.01) = 81.574% kept QG2 THR 39 - QB MET 54 7.143% * 5.7057% (0.92 1.00 1.46 4.69) = 5.706% kept QG2 THR 4 - QB MET 54 7.143% * 4.5173% (0.89 1.00 1.19 3.06) = 4.517% kept HG3 GLU- 23 - QB MET 54 7.143% * 2.5104% (0.83 1.00 0.71 0.02) = 2.510% kept T QE MET 54 - HB3 LYS+ 11 7.143% * 2.3453% (0.46 10.00 0.12 0.11) = 2.345% kept HD3 LYS+ 56 - QB MET 54 7.143% * 1.6935% (0.49 1.00 0.82 1.61) = 1.694% kept HB3 LEU 42 - QB MET 54 7.143% * 1.0575% (0.41 1.00 0.61 0.26) = 1.058% kept HG3 GLU- 23 - HB3 LYS+ 11 7.143% * 0.3430% (0.40 1.00 0.20 1.21) = 0.343% HB3 LEU 42 - HB3 LYS+ 11 7.143% * 0.1295% (0.19 1.00 0.16 0.02) = 0.130% QG2 THR 39 - HB3 LYS+ 11 7.143% * 0.0371% (0.44 1.00 0.02 0.02) = 0.037% QG2 THR 4 - HB3 LYS+ 11 7.143% * 0.0360% (0.43 1.00 0.02 0.02) = 0.036% QG1 VAL 65 - QB MET 54 7.143% * 0.0211% (0.25 1.00 0.02 0.39) = 0.021% HD3 LYS+ 56 - HB3 LYS+ 11 7.143% * 0.0196% (0.23 1.00 0.02 0.76) = 0.020% QG1 VAL 65 - HB3 LYS+ 11 7.143% * 0.0100% (0.12 1.00 0.02 0.10) = 0.010% Peak 2458 (0.79, 1.86, 37.10 ppm): 10 chemical-shift based assignments, quality = 0.769, support = 1.08, residual support = 8.71: QG2 VAL 61 - QB MET 54 10.000% * 59.9562% (0.89 1.47 8.90) = 59.956% kept HG LEU 22 - QB MET 54 10.000% * 21.7334% (0.83 0.57 13.92) = 21.733% kept HG13 ILE 24 - QB MET 54 10.000% * 7.9948% (0.31 0.57 0.58) = 7.995% kept HG LEU 22 - HB3 LYS+ 11 10.000% * 6.8574% (0.40 0.38 4.41) = 6.857% kept QG2 ILE 96 - QB MET 54 10.000% * 0.9004% (0.99 0.02 0.02) = 0.900% HB2 LEU 76 - QB MET 54 10.000% * 0.7880% (0.87 0.02 0.02) = 0.788% HG13 ILE 24 - HB3 LYS+ 11 10.000% * 0.5800% (0.15 0.09 0.02) = 0.580% QG2 ILE 96 - HB3 LYS+ 11 10.000% * 0.4280% (0.47 0.02 0.02) = 0.428% QG2 VAL 61 - HB3 LYS+ 11 10.000% * 0.3873% (0.43 0.02 0.02) = 0.387% HB2 LEU 76 - HB3 LYS+ 11 10.000% * 0.3746% (0.41 0.02 1.87) = 0.375% Peak 2459 (0.60, 1.86, 37.10 ppm): 8 chemical-shift based assignments, quality = 0.323, support = 1.71, residual support = 5.92: QD2 LEU 22 - QB MET 54 12.500% * 41.0084% (0.17 3.30 13.92) = 41.008% kept QG2 ILE 24 - QB MET 54 12.500% * 28.1121% (0.56 0.70 0.58) = 28.112% kept QD1 LEU 42 - QB MET 54 12.500% * 17.0177% (0.34 0.70 0.26) = 17.018% kept QD1 ILE 96 - QB MET 54 12.500% * 7.0719% (0.28 0.36 0.02) = 7.072% kept QG2 ILE 24 - HB3 LYS+ 11 12.500% * 4.6792% (0.27 0.24 0.02) = 4.679% kept QD1 LEU 42 - HB3 LYS+ 11 12.500% * 1.8050% (0.16 0.16 0.02) = 1.805% kept QD1 ILE 96 - HB3 LYS+ 11 12.500% * 0.1876% (0.13 0.02 0.02) = 0.188% QD2 LEU 22 - HB3 LYS+ 11 12.500% * 0.1182% (0.08 0.02 4.41) = 0.118% Peak 2460 (1.19, 2.10, 32.48 ppm): 12 chemical-shift based assignments, quality = 0.783, support = 3.69, residual support = 51.0: O QE MET 54 - HG2 MET 54 8.333% * 82.5328% (0.76 10.0 4.23 61.01) = 82.533% kept QG2 THR 39 - HG2 MET 54 8.333% * 8.0049% (0.99 1.0 1.49 4.69) = 8.005% kept QG2 THR 4 - HG2 MET 54 8.333% * 6.1503% (0.99 1.0 1.14 3.06) = 6.150% kept HD3 LYS+ 56 - HG2 MET 54 8.333% * 2.2842% (0.76 1.0 0.55 1.61) = 2.284% kept HG3 GLU- 23 - HG2 MET 54 8.333% * 0.9447% (0.56 1.0 0.31 0.02) = 0.945% HB3 LEU 42 - HG2 MET 54 8.333% * 0.0214% (0.20 1.0 0.02 0.26) = 0.021% QG2 THR 4 - HB2 MET 1 8.333% * 0.0144% (0.13 1.0 0.02 0.02) = 0.014% QG2 THR 39 - HB2 MET 1 8.333% * 0.0144% (0.13 1.0 0.02 0.15) = 0.014% QE MET 54 - HB2 MET 1 8.333% * 0.0110% (0.10 1.0 0.02 0.02) = 0.011% HD3 LYS+ 56 - HB2 MET 1 8.333% * 0.0110% (0.10 1.0 0.02 0.02) = 0.011% HG3 GLU- 23 - HB2 MET 1 8.333% * 0.0081% (0.07 1.0 0.02 0.02) = 0.008% HB3 LEU 42 - HB2 MET 1 8.333% * 0.0028% (0.03 1.0 0.02 0.02) = 0.003% Peak 2461 (1.20, 2.02, 32.48 ppm): 21 chemical-shift based assignments, quality = 0.791, support = 4.01, residual support = 43.3: O T QE MET 54 - HG3 MET 54 4.762% * 63.8987% (0.96 10.0 10.00 4.68 61.01) = 63.899% kept T QE MET 54 - HB2 ARG+ 53 4.762% * 18.7749% (0.28 1.0 10.00 3.23 19.87) = 18.775% kept QG2 THR 39 - HG3 MET 54 4.762% * 9.5252% (0.91 1.0 1.00 3.12 4.69) = 9.525% kept QG2 THR 4 - HG3 MET 54 4.762% * 3.6857% (0.89 1.0 1.00 1.24 3.06) = 3.686% kept QG2 THR 39 - HB2 ARG+ 53 4.762% * 2.5121% (0.27 1.0 1.00 2.80 2.71) = 2.512% kept HG3 GLU- 23 - HG3 MET 54 4.762% * 0.8823% (0.83 1.0 1.00 0.32 0.02) = 0.882% HB3 LEU 42 - HG3 MET 54 4.762% * 0.4047% (0.41 1.0 1.00 0.30 0.26) = 0.405% T QE MET 54 - HB3 MET 1 4.762% * 0.1518% (0.23 1.0 10.00 0.02 0.02) = 0.152% HD3 LYS+ 56 - HG3 MET 54 4.762% * 0.0322% (0.48 1.0 1.00 0.02 1.61) = 0.032% QG2 THR 4 - HB2 ARG+ 53 4.762% * 0.0174% (0.26 1.0 1.00 0.02 0.28) = 0.017% QG1 VAL 65 - HG3 MET 54 4.762% * 0.0165% (0.25 1.0 1.00 0.02 0.39) = 0.017% HG3 GLU- 23 - HB2 ARG+ 53 4.762% * 0.0162% (0.24 1.0 1.00 0.02 0.02) = 0.016% QG2 THR 39 - HB3 MET 1 4.762% * 0.0145% (0.22 1.0 1.00 0.02 0.15) = 0.015% QG2 THR 4 - HB3 MET 1 4.762% * 0.0141% (0.21 1.0 1.00 0.02 0.02) = 0.014% HG3 GLU- 23 - HB3 MET 1 4.762% * 0.0131% (0.20 1.0 1.00 0.02 0.02) = 0.013% HD3 LYS+ 56 - HB2 ARG+ 53 4.762% * 0.0095% (0.14 1.0 1.00 0.02 0.02) = 0.009% HB3 LEU 42 - HB2 ARG+ 53 4.762% * 0.0080% (0.12 1.0 1.00 0.02 2.89) = 0.008% HD3 LYS+ 56 - HB3 MET 1 4.762% * 0.0077% (0.11 1.0 1.00 0.02 0.02) = 0.008% HB3 LEU 42 - HB3 MET 1 4.762% * 0.0065% (0.10 1.0 1.00 0.02 0.02) = 0.006% QG1 VAL 65 - HB2 ARG+ 53 4.762% * 0.0049% (0.07 1.0 1.00 0.02 1.28) = 0.005% QG1 VAL 65 - HB3 MET 1 4.762% * 0.0039% (0.06 1.0 1.00 0.02 0.02) = 0.004% Peak 2462 (0.56, 2.02, 32.48 ppm): 9 chemical-shift based assignments, quality = 0.722, support = 3.95, residual support = 14.8: T QD2 LEU 63 - HG3 MET 54 11.111% * 41.0627% (0.94 10.00 4.36 22.10) = 41.063% kept T QD2 LEU 22 - HG3 MET 54 11.111% * 34.7589% (0.79 10.00 4.29 13.92) = 34.759% kept T QD2 LEU 63 - HB2 ARG+ 53 11.111% * 12.0652% (0.28 10.00 3.50 5.12) = 12.065% kept T QD2 LEU 22 - HB2 ARG+ 53 11.111% * 10.2129% (0.23 10.00 2.32 2.84) = 10.213% kept T QD2 LEU 63 - HB3 MET 1 11.111% * 1.8046% (0.22 10.00 0.37 0.02) = 1.805% kept T QD2 LEU 22 - HB3 MET 1 11.111% * 0.0826% (0.19 10.00 0.02 0.02) = 0.083% QG2 ILE 95 - HG3 MET 54 11.111% * 0.0086% (0.20 1.00 0.02 0.02) = 0.009% QG2 ILE 95 - HB2 ARG+ 53 11.111% * 0.0025% (0.06 1.00 0.02 0.02) = 0.003% QG2 ILE 95 - HB3 MET 1 11.111% * 0.0020% (0.05 1.00 0.02 0.02) = 0.002% Peak 2463 (0.57, 2.10, 32.48 ppm): 4 chemical-shift based assignments, quality = 0.973, support = 4.25, residual support = 18.1: QD2 LEU 63 - HG2 MET 54 25.000% * 51.2531% (0.99 4.29 22.10) = 51.253% kept QD2 LEU 22 - HG2 MET 54 25.000% * 48.6842% (0.96 4.21 13.92) = 48.684% kept QD2 LEU 63 - HB2 MET 1 25.000% * 0.0318% (0.13 0.02 0.02) = 0.032% QD2 LEU 22 - HB2 MET 1 25.000% * 0.0308% (0.13 0.02 0.02) = 0.031% Peak 2464 (0.76, 2.10, 32.48 ppm): 6 chemical-shift based assignments, quality = 0.76, support = 1.26, residual support = 4.5: QD1 LEU 43 - HG2 MET 54 16.667% * 44.9793% (0.72 1.46 6.40) = 44.979% kept QG2 VAL 71 - HG2 MET 54 16.667% * 41.3919% (0.98 0.99 1.04) = 41.392% kept QG1 VAL 61 - HG2 MET 54 16.667% * 13.4095% (0.22 1.42 8.90) = 13.410% kept QG2 VAL 71 - HB2 MET 1 16.667% * 0.1120% (0.13 0.02 0.02) = 0.112% QD1 LEU 43 - HB2 MET 1 16.667% * 0.0821% (0.10 0.02 0.02) = 0.082% QG1 VAL 61 - HB2 MET 1 16.667% * 0.0252% (0.03 0.02 0.02) = 0.025% Peak 2465 (0.77, 2.02, 32.48 ppm): 9 chemical-shift based assignments, quality = 0.69, support = 1.31, residual support = 2.95: QG2 VAL 71 - HG3 MET 54 11.111% * 50.8735% (0.96 1.19 1.04) = 50.874% kept QD1 LEU 43 - HG3 MET 54 11.111% * 37.6192% (0.48 1.74 6.40) = 37.619% kept QD1 LEU 43 - HB2 ARG+ 53 11.111% * 4.6488% (0.14 0.73 0.34) = 4.649% kept QG2 VAL 71 - HB2 ARG+ 53 11.111% * 4.1203% (0.28 0.33 0.02) = 4.120% kept QG2 ILE 96 - HG3 MET 54 11.111% * 2.3490% (0.17 0.30 0.02) = 2.349% kept QG2 VAL 71 - HB3 MET 1 11.111% * 0.2038% (0.23 0.02 0.02) = 0.204% QD1 LEU 43 - HB3 MET 1 11.111% * 0.1028% (0.11 0.02 0.02) = 0.103% QG2 ILE 96 - HB2 ARG+ 53 11.111% * 0.0457% (0.05 0.02 0.02) = 0.046% QG2 ILE 96 - HB3 MET 1 11.111% * 0.0370% (0.04 0.02 0.02) = 0.037% Peak 2466 (8.09, 5.44, 54.98 ppm): 4 chemical-shift based assignments, quality = 0.633, support = 3.58, residual support = 37.8: O HN MET 54 - HA MET 54 25.000% * 56.1610% (0.41 10.0 4.46 61.01) = 56.161% kept HN LEU 22 - HA MET 54 25.000% * 18.9808% (0.94 1.0 2.94 13.92) = 18.981% kept HN ASP- 89 - HA MET 54 25.000% * 14.3774% (0.87 1.0 2.43 2.09) = 14.377% kept HN ARG+ 48 - HA MET 54 25.000% * 10.4808% (0.95 1.0 1.62 5.85) = 10.481% kept Peak 2467 (9.28, 5.44, 54.98 ppm): 4 chemical-shift based assignments, quality = 0.565, support = 4.47, residual support = 17.4: O HN LYS+ 55 - HA MET 54 25.000% * 71.3139% (0.45 10.0 5.31 22.34) = 71.314% kept HN LEU 43 - HA MET 54 25.000% * 21.2277% (0.99 1.0 2.69 6.40) = 21.228% kept HN GLN 83 - HA MET 54 25.000% * 6.8498% (0.52 1.0 1.64 1.51) = 6.850% kept HN ARG+ 90 - HA MET 54 25.000% * 0.6086% (0.22 1.0 0.34 0.10) = 0.609% Peak 2468 (9.28, 1.86, 37.10 ppm): 8 chemical-shift based assignments, quality = 0.645, support = 3.15, residual support = 12.5: HN LYS+ 55 - QB MET 54 12.500% * 44.7896% (0.45 5.16 22.34) = 44.790% kept HN LEU 43 - QB MET 54 12.500% * 36.3131% (0.99 1.89 6.40) = 36.313% kept HN GLN 83 - QB MET 54 12.500% * 10.0740% (0.52 0.99 1.51) = 10.074% kept HN LEU 43 - HB3 LYS+ 11 12.500% * 6.2341% (0.47 0.68 0.52) = 6.234% kept HN ARG+ 90 - QB MET 54 12.500% * 1.4810% (0.22 0.34 0.10) = 1.481% kept HN LYS+ 55 - HB3 LYS+ 11 12.500% * 0.9704% (0.21 0.24 0.02) = 0.970% HN GLN 83 - HB3 LYS+ 11 12.500% * 0.0968% (0.25 0.02 0.50) = 0.097% HN ARG+ 90 - HB3 LYS+ 11 12.500% * 0.0410% (0.11 0.02 0.02) = 0.041% Peak 2469 (8.09, 1.86, 37.10 ppm): 8 chemical-shift based assignments, quality = 0.481, support = 3.03, residual support = 33.7: O HN MET 54 - QB MET 54 12.500% * 48.6808% (0.22 10.0 4.21 61.01) = 48.681% kept HN LEU 22 - QB MET 54 12.500% * 21.0941% (0.76 1.0 2.52 13.92) = 21.094% kept HN ASP- 89 - QB MET 54 12.500% * 13.5238% (0.65 1.0 1.91 2.09) = 13.524% kept HN ARG+ 48 - QB MET 54 12.500% * 12.6875% (0.88 1.0 1.31 5.85) = 12.687% kept HN ASP- 89 - HB3 LYS+ 11 12.500% * 2.1516% (0.31 1.0 0.64 0.02) = 2.152% kept HN LEU 22 - HB3 LYS+ 11 12.500% * 1.7470% (0.36 1.0 0.44 4.41) = 1.747% kept HN ARG+ 48 - HB3 LYS+ 11 12.500% * 0.0920% (0.42 1.0 0.02 0.02) = 0.092% HN MET 54 - HB3 LYS+ 11 12.500% * 0.0231% (0.11 1.0 0.02 0.11) = 0.023% Peak 2470 (5.15, 1.86, 37.10 ppm): 4 chemical-shift based assignments, quality = 0.563, support = 3.45, residual support = 43.4: O T HA LYS+ 11 - HB3 LYS+ 11 25.000% * 65.9315% (0.41 10.0 10.00 5.09 64.06) = 65.931% kept T HA LEU 82 - QB MET 54 25.000% * 24.2916% (0.99 1.0 10.00 0.31 0.61) = 24.292% kept T HA LEU 82 - HB3 LYS+ 11 25.000% * 8.3900% (0.47 1.0 10.00 0.22 11.78) = 8.390% kept T HA LYS+ 11 - QB MET 54 25.000% * 1.3869% (0.87 1.0 10.00 0.02 0.11) = 1.387% kept Peak 2471 (6.14, 1.86, 37.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2472 (9.28, 2.10, 32.48 ppm): 8 chemical-shift based assignments, quality = 0.669, support = 3.15, residual support = 12.0: HN LEU 43 - HG2 MET 54 12.500% * 41.1110% (0.98 2.22 6.40) = 41.111% kept HN LYS+ 55 - HG2 MET 54 12.500% * 40.8736% (0.44 4.88 22.34) = 40.874% kept HN GLN 83 - HG2 MET 54 12.500% * 14.5703% (0.52 1.48 1.51) = 14.570% kept HN ARG+ 90 - HG2 MET 54 12.500% * 3.3360% (0.22 0.80 0.10) = 3.336% kept HN LEU 43 - HB2 MET 1 12.500% * 0.0494% (0.13 0.02 0.02) = 0.049% HN GLN 83 - HB2 MET 1 12.500% * 0.0262% (0.07 0.02 0.02) = 0.026% HN LYS+ 55 - HB2 MET 1 12.500% * 0.0223% (0.06 0.02 0.02) = 0.022% HN ARG+ 90 - HB2 MET 1 12.500% * 0.0111% (0.03 0.02 0.02) = 0.011% Peak 2473 (8.09, 2.10, 32.48 ppm): 8 chemical-shift based assignments, quality = 0.633, support = 2.25, residual support = 20.5: HN LEU 22 - HG2 MET 54 12.500% * 36.4022% (0.76 2.07 13.92) = 36.402% kept HN MET 54 - HG2 MET 54 12.500% * 22.7603% (0.22 4.44 61.01) = 22.760% kept HN ASP- 89 - HG2 MET 54 12.500% * 21.1913% (0.64 1.42 2.09) = 21.191% kept HN ARG+ 48 - HG2 MET 54 12.500% * 19.4914% (0.88 0.96 5.85) = 19.491% kept HN ARG+ 48 - HB2 MET 1 12.500% * 0.0544% (0.12 0.02 0.02) = 0.054% HN LEU 22 - HB2 MET 1 12.500% * 0.0470% (0.10 0.02 0.02) = 0.047% HN ASP- 89 - HB2 MET 1 12.500% * 0.0397% (0.09 0.02 0.02) = 0.040% HN MET 54 - HB2 MET 1 12.500% * 0.0137% (0.03 0.02 0.02) = 0.014% Peak 2474 (9.28, 2.02, 32.48 ppm): 12 chemical-shift based assignments, quality = 0.633, support = 2.81, residual support = 10.8: HN LEU 43 - HG3 MET 54 8.333% * 39.8521% (0.98 2.27 6.40) = 39.852% kept HN LYS+ 55 - HG3 MET 54 8.333% * 35.9787% (0.44 4.53 22.34) = 35.979% kept HN GLN 83 - HG3 MET 54 8.333% * 10.0491% (0.52 1.08 1.51) = 10.049% kept HN LEU 43 - HB2 ARG+ 53 8.333% * 5.2463% (0.29 1.02 0.34) = 5.246% kept HN LYS+ 55 - HB2 ARG+ 53 8.333% * 4.4234% (0.13 1.89 1.11) = 4.423% kept HN ARG+ 90 - HG3 MET 54 8.333% * 3.1917% (0.22 0.81 0.10) = 3.192% kept HN GLN 83 - HB2 ARG+ 53 8.333% * 1.0511% (0.15 0.38 0.17) = 1.051% kept HN LEU 43 - HB3 MET 1 8.333% * 0.0835% (0.23 0.02 0.02) = 0.083% HN GLN 83 - HB3 MET 1 8.333% * 0.0443% (0.12 0.02 0.02) = 0.044% HN LYS+ 55 - HB3 MET 1 8.333% * 0.0377% (0.11 0.02 0.02) = 0.038% HN ARG+ 90 - HB2 ARG+ 53 8.333% * 0.0232% (0.06 0.02 0.02) = 0.023% HN ARG+ 90 - HB3 MET 1 8.333% * 0.0187% (0.05 0.02 0.02) = 0.019% Peak 2475 (8.10, 2.02, 32.48 ppm): 9 chemical-shift based assignments, quality = 0.502, support = 1.64, residual support = 7.14: HN LEU 22 - HG3 MET 54 11.111% * 35.9317% (0.52 2.23 13.92) = 35.932% kept HN ARG+ 48 - HG3 MET 54 11.111% * 23.9043% (0.80 0.97 5.85) = 23.904% kept HN ASP- 89 - HG3 MET 54 11.111% * 22.8741% (0.41 1.81 2.09) = 22.874% kept HN ARG+ 48 - HB2 ARG+ 53 11.111% * 6.9664% (0.23 0.96 0.85) = 6.966% kept HN LEU 22 - HB2 ARG+ 53 11.111% * 6.6102% (0.15 1.39 2.84) = 6.610% kept HN ASP- 89 - HB2 ARG+ 53 11.111% * 3.4595% (0.12 0.93 0.29) = 3.459% kept HN ARG+ 48 - HB3 MET 1 11.111% * 0.1173% (0.19 0.02 0.02) = 0.117% HN LEU 22 - HB3 MET 1 11.111% * 0.0766% (0.12 0.02 0.02) = 0.077% HN ASP- 89 - HB3 MET 1 11.111% * 0.0599% (0.10 0.02 0.02) = 0.060% Peak 2476 (7.04, 1.20, 58.70 ppm): 1 chemical-shift based assignment, quality = 0.764, support = 2.49, residual support = 3.05: HN LYS+ 17 - QE MET 54 100.000% *100.0000% (0.76 2.49 3.05) = 100.000% kept Peak 2477 (7.31, 1.20, 58.70 ppm): 1 chemical-shift based assignment, quality = 0.566, support = 0.228, residual support = 1.51: HE21 GLN 83 - QE MET 54 100.000% *100.0000% (0.57 0.23 1.51) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2478 (7.56, 1.20, 58.70 ppm): 2 chemical-shift based assignments, quality = 0.99, support = 0.881, residual support = 0.734: HN LYS+ 80 - QE MET 54 50.000% * 74.1379% (0.99 1.06 0.84) = 74.138% kept HN ASN 29 - QE MET 54 50.000% * 25.8621% (0.98 0.37 0.44) = 25.862% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2479 (8.09, 1.20, 58.70 ppm): 4 chemical-shift based assignments, quality = 0.785, support = 3.15, residual support = 21.5: HN MET 54 - QE MET 54 25.000% * 26.3710% (0.41 5.51 61.01) = 26.371% kept HN LEU 22 - QE MET 54 25.000% * 25.8363% (0.95 2.35 13.92) = 25.836% kept HN ASP- 89 - QE MET 54 25.000% * 25.1478% (0.87 2.49 2.09) = 25.148% kept HN ARG+ 48 - QE MET 54 25.000% * 22.6450% (0.95 2.05 5.85) = 22.645% kept Peak 2480 (8.73, 1.20, 58.70 ppm): 6 chemical-shift based assignments, quality = 0.837, support = 1.46, residual support = 0.75: HN PHE 13 - QE MET 54 16.667% * 36.8263% (0.92 2.07 0.84) = 36.826% kept HN LEU 82 - QE MET 54 16.667% * 22.5571% (0.92 1.27 0.61) = 22.557% kept HN LYS+ 56 - QE MET 54 16.667% * 16.2231% (0.65 1.30 1.61) = 16.223% kept HN MET 10 - QE MET 54 16.667% * 15.5299% (0.80 1.00 0.26) = 15.530% kept HN GLY 27 - QE MET 54 16.667% * 7.1506% (0.80 0.46 0.02) = 7.151% kept HN ASP- 78 - QE MET 54 16.667% * 1.7130% (0.15 0.57 0.02) = 1.713% kept Peak 2481 (8.91, 1.20, 58.70 ppm): 4 chemical-shift based assignments, quality = 0.869, support = 2.95, residual support = 14.1: HN LEU 63 - QE MET 54 25.000% * 62.0863% (0.95 3.88 22.10) = 62.086% kept HN GLU- 16 - QE MET 54 25.000% * 25.1756% (0.92 1.61 1.53) = 25.176% kept HN VAL 65 - QE MET 54 25.000% * 7.9911% (0.45 1.05 0.39) = 7.991% kept HN ASP- 41 - QE MET 54 25.000% * 4.7470% (0.28 1.01 0.02) = 4.747% kept Peak 2482 (9.28, 1.20, 58.70 ppm): 4 chemical-shift based assignments, quality = 0.622, support = 3.71, residual support = 12.5: HN LYS+ 55 - QE MET 54 25.000% * 45.7284% (0.45 5.94 22.34) = 45.728% kept HN LEU 43 - QE MET 54 25.000% * 31.5571% (0.99 1.85 6.40) = 31.557% kept HN GLN 83 - QE MET 54 25.000% * 17.6778% (0.53 1.96 1.51) = 17.678% kept HN ARG+ 90 - QE MET 54 25.000% * 5.0367% (0.22 1.32 0.10) = 5.037% kept Peak 2483 (6.76, 1.20, 58.70 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 0.812, residual support = 2.81: HN ASN 74 - QE MET 54 100.000% *100.0000% (0.28 0.81 2.81) = 100.000% kept Peak 2484 (1.36, 1.68, 37.70 ppm): 7 chemical-shift based assignments, quality = 0.926, support = 4.74, residual support = 80.5: O T QG LYS+ 55 - HB3 LYS+ 55 14.286% * 87.4219% (0.97 10.0 10.00 5.36 91.44) = 87.422% kept T HG2 LYS+ 17 - HB3 LYS+ 55 14.286% * 10.4992% (0.64 1.0 10.00 0.36 3.66) = 10.499% kept HG LEU 63 - HB3 LYS+ 55 14.286% * 1.8820% (0.48 1.0 1.00 0.87 8.82) = 1.882% kept QB ALA 34 - HB3 LYS+ 55 14.286% * 0.0648% (0.72 1.0 1.00 0.02 0.02) = 0.065% QG LYS+ 60 - HB3 LYS+ 55 14.286% * 0.0577% (0.64 1.0 1.00 0.02 0.02) = 0.058% HG2 ARG+ 88 - HB3 LYS+ 55 14.286% * 0.0469% (0.52 1.0 1.00 0.02 0.02) = 0.047% HG12 ILE 14 - HB3 LYS+ 55 14.286% * 0.0275% (0.31 1.0 1.00 0.02 0.98) = 0.028% Peak 2485 (0.96, 1.68, 37.70 ppm): 7 chemical-shift based assignments, quality = 0.902, support = 3.77, residual support = 24.9: HG3 LYS+ 56 - HB3 LYS+ 55 14.286% * 57.2402% (0.98 5.42 40.06) = 57.240% kept QD2 LEU 82 - HB3 LYS+ 55 14.286% * 20.5309% (0.91 2.09 4.95) = 20.531% kept QG2 ILE 14 - HB3 LYS+ 55 14.286% * 9.4472% (0.99 0.89 0.98) = 9.447% kept QG2 THR 64 - HB3 LYS+ 55 14.286% * 6.4226% (0.31 1.95 12.69) = 6.423% kept QG2 VAL 52 - HB3 LYS+ 55 14.286% * 4.2193% (0.76 0.52 0.17) = 4.219% kept QG2 ILE 85 - HB3 LYS+ 55 14.286% * 1.1766% (0.56 0.20 0.52) = 1.177% kept HB3 ARG+ 48 - HB3 LYS+ 55 14.286% * 0.9631% (0.68 0.13 0.02) = 0.963% Peak 2486 (2.54, 1.68, 37.70 ppm): 7 chemical-shift based assignments, quality = 0.648, support = 2.17, residual support = 10.2: HB3 ASP- 41 - HB3 LYS+ 55 14.286% * 37.0970% (0.98 1.61 1.05) = 37.097% kept QB PHE 62 - HB3 LYS+ 55 14.286% * 32.3023% (0.64 2.15 7.62) = 32.302% kept HE2 LYS+ 56 - HB3 LYS+ 55 14.286% * 17.7393% (0.17 4.35 40.06) = 17.739% kept HB2 ARG+ 90 - HB3 LYS+ 55 14.286% * 9.4925% (0.37 1.09 2.84) = 9.493% kept HB3 TYR 81 - HB3 LYS+ 55 14.286% * 2.7458% (0.37 0.31 0.49) = 2.746% kept HB3 ASN 75 - HB3 LYS+ 55 14.286% * 0.4644% (0.99 0.02 0.02) = 0.464% HG3 MET 1 - HB3 LYS+ 55 14.286% * 0.1588% (0.34 0.02 0.02) = 0.159% Peak 2487 (2.92, 1.68, 37.70 ppm): 2 chemical-shift based assignments, quality = 0.86, support = 0.185, residual support = 0.204: QB ASN 29 - HB3 LYS+ 55 50.000% * 77.7011% (0.96 0.21 0.26) = 77.701% kept HB2 TYR 93 - HB3 LYS+ 55 50.000% * 22.2989% (0.52 0.11 0.02) = 22.299% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2488 (1.34, 1.76, 37.70 ppm): 6 chemical-shift based assignments, quality = 0.709, support = 3.29, residual support = 53.7: O T QG LYS+ 55 - HB2 LYS+ 55 16.667% * 54.7440% (0.52 10.0 10.00 5.40 91.44) = 54.744% kept T HG LEU 63 - HB2 LYS+ 55 16.667% * 40.5051% (0.96 1.0 10.00 0.81 8.82) = 40.505% kept T HG12 ILE 14 - HB2 LYS+ 55 16.667% * 4.3615% (0.83 1.0 10.00 0.10 0.98) = 4.361% kept T HG2 LYS+ 17 - HB2 LYS+ 55 16.667% * 0.1822% (0.17 1.0 10.00 0.02 3.66) = 0.182% QG LYS+ 60 - HB2 LYS+ 55 16.667% * 0.1041% (0.99 1.0 1.00 0.02 0.02) = 0.104% QB ALA 34 - HB2 LYS+ 55 16.667% * 0.1031% (0.98 1.0 1.00 0.02 0.02) = 0.103% Peak 2489 (0.96, 1.76, 37.70 ppm): 7 chemical-shift based assignments, quality = 0.932, support = 2.96, residual support = 17.3: T HG3 LYS+ 56 - HB2 LYS+ 55 14.286% * 37.8276% (0.98 10.00 5.07 40.06) = 37.828% kept T QD2 LEU 82 - HB2 LYS+ 55 14.286% * 35.2310% (0.91 10.00 2.11 4.95) = 35.231% kept T QG2 ILE 14 - HB2 LYS+ 55 14.286% * 22.5143% (0.99 10.00 1.18 0.98) = 22.514% kept T QG2 ILE 85 - HB2 LYS+ 55 14.286% * 2.1086% (0.56 10.00 0.20 0.52) = 2.109% kept QG2 THR 64 - HB2 LYS+ 55 14.286% * 1.2813% (0.31 1.00 2.18 12.69) = 1.281% kept QG2 VAL 52 - HB2 LYS+ 55 14.286% * 0.8646% (0.76 1.00 0.59 0.17) = 0.865% HB3 ARG+ 48 - HB2 LYS+ 55 14.286% * 0.1726% (0.68 1.00 0.13 0.02) = 0.173% Peak 2490 (2.50, 1.76, 37.70 ppm): 3 chemical-shift based assignments, quality = 0.409, support = 1.21, residual support = 6.61: T QB PHE 62 - HB2 LYS+ 55 33.333% * 82.0622% (0.34 10.00 1.31 7.62) = 82.062% kept HB2 ARG+ 90 - HB2 LYS+ 55 33.333% * 11.1721% (0.60 1.00 1.00 2.84) = 11.172% kept HG2 GLU- 68 - HB2 LYS+ 55 33.333% * 6.7657% (0.96 1.00 0.38 0.58) = 6.766% kept Peak 2491 (4.75, 1.76, 37.70 ppm): 5 chemical-shift based assignments, quality = 0.966, support = 5.14, residual support = 85.7: O T HA LYS+ 55 - HB2 LYS+ 55 20.000% * 93.7117% (0.98 10.0 10.00 5.44 91.44) = 93.712% kept HA ILE 85 - HB2 LYS+ 55 20.000% * 3.9498% (0.99 1.0 1.00 0.84 0.52) = 3.950% kept T HA ARG+ 53 - HB2 LYS+ 55 20.000% * 1.7560% (0.34 1.0 10.00 0.11 1.11) = 1.756% kept T HA LYS+ 20 - HB2 LYS+ 55 20.000% * 0.3225% (0.34 1.0 10.00 0.02 0.02) = 0.323% HA ALA 34 - HB2 LYS+ 55 20.000% * 0.2600% (0.48 1.0 1.00 0.11 0.02) = 0.260% Peak 2492 (0.96, 1.36, 24.71 ppm): 12 chemical-shift based assignments, quality = 0.896, support = 3.94, residual support = 24.4: HG3 LYS+ 56 - QG LYS+ 55 8.333% * 53.7071% (0.94 5.82 40.06) = 53.707% kept QD2 LEU 82 - QG LYS+ 55 8.333% * 22.9637% (1.00 2.36 4.95) = 22.964% kept QG2 ILE 14 - QG LYS+ 55 8.333% * 10.5557% (0.92 1.17 0.98) = 10.556% kept QG2 ILE 14 - HG2 LYS+ 17 8.333% * 4.8473% (0.20 2.49 32.63) = 4.847% kept QG2 VAL 52 - QG LYS+ 55 8.333% * 4.0625% (0.96 0.43 0.17) = 4.063% kept HB3 ARG+ 48 - HG2 LYS+ 17 8.333% * 1.6160% (0.20 0.83 0.73) = 1.616% kept HB3 ARG+ 48 - QG LYS+ 55 8.333% * 1.1867% (0.92 0.13 0.02) = 1.187% kept QG2 ILE 85 - QG LYS+ 55 8.333% * 0.5881% (0.31 0.20 0.52) = 0.588% QG2 VAL 52 - HG2 LYS+ 17 8.333% * 0.2115% (0.21 0.10 0.02) = 0.212% QD2 LEU 82 - HG2 LYS+ 17 8.333% * 0.2085% (0.22 0.10 0.41) = 0.208% HG3 LYS+ 56 - HG2 LYS+ 17 8.333% * 0.0399% (0.20 0.02 0.02) = 0.040% QG2 ILE 85 - HG2 LYS+ 17 8.333% * 0.0130% (0.07 0.02 0.02) = 0.013% Peak 2493 (2.94, 1.36, 24.71 ppm): 12 chemical-shift based assignments, quality = 0.242, support = 3.6, residual support = 99.9: O QE LYS+ 55 - QG LYS+ 55 8.333% * 52.3194% (0.20 10.0 4.13 91.44) = 52.319% kept O QE LYS+ 17 - HG2 LYS+ 17 8.333% * 23.4830% (0.09 10.0 5.29 220.78) = 23.483% kept QB ASN 29 - QG LYS+ 55 8.333% * 9.7732% (0.80 1.0 0.92 0.26) = 9.773% kept HB2 ASP- 89 - QG LYS+ 55 8.333% * 3.5868% (0.28 1.0 0.98 3.73) = 3.587% kept QB ASN 29 - HG2 LYS+ 17 8.333% * 3.4298% (0.17 1.0 1.50 0.02) = 3.430% kept HB3 PHE 9 - QG LYS+ 55 8.333% * 3.0176% (0.52 1.0 0.43 0.02) = 3.018% kept QE LYS+ 17 - QG LYS+ 55 8.333% * 1.9530% (0.41 1.0 0.36 3.66) = 1.953% kept HB3 PHE 9 - HG2 LYS+ 17 8.333% * 0.8778% (0.11 1.0 0.58 0.02) = 0.878% HB2 ASP- 89 - HG2 LYS+ 17 8.333% * 0.8085% (0.06 1.0 1.02 0.02) = 0.808% HE3 LYS+ 60 - HG2 LYS+ 17 8.333% * 0.3546% (0.05 1.0 0.56 0.38) = 0.355% QE LYS+ 55 - HG2 LYS+ 17 8.333% * 0.3374% (0.04 1.0 0.60 3.66) = 0.337% HE3 LYS+ 60 - QG LYS+ 55 8.333% * 0.0589% (0.22 1.0 0.02 0.02) = 0.059% Peak 2494 (4.56, 1.36, 24.71 ppm): 2 chemical-shift based assignments, quality = 0.744, support = 2.64, residual support = 50.2: T HA LYS+ 17 - QG LYS+ 55 50.000% * 78.5540% (0.89 1.0 10.00 1.58 3.66) = 78.554% kept O T HA LYS+ 17 - HG2 LYS+ 17 50.000% * 21.4460% (0.19 10.0 10.00 6.51 220.78) = 21.446% kept Peak 2495 (4.76, 1.36, 24.71 ppm): 12 chemical-shift based assignments, quality = 0.927, support = 5.46, residual support = 85.4: O HA LYS+ 55 - QG LYS+ 55 8.333% * 93.0935% (0.94 10.0 5.79 91.44) = 93.093% kept HA ILE 85 - QG LYS+ 55 8.333% * 4.7685% (0.89 1.0 1.08 0.52) = 4.768% kept HA THR 64 - QG LYS+ 55 8.333% * 1.9114% (0.31 1.0 1.26 12.69) = 1.911% kept HA ALA 34 - QG LYS+ 55 8.333% * 0.1386% (0.25 1.0 0.11 0.02) = 0.139% HA LYS+ 55 - HG2 LYS+ 17 8.333% * 0.0201% (0.20 1.0 0.02 3.66) = 0.020% HA ILE 85 - HG2 LYS+ 17 8.333% * 0.0191% (0.19 1.0 0.02 0.02) = 0.019% HA LYS+ 20 - QG LYS+ 55 8.333% * 0.0152% (0.15 1.0 0.02 0.02) = 0.015% HA ARG+ 53 - QG LYS+ 55 8.333% * 0.0152% (0.15 1.0 0.02 1.11) = 0.015% HA THR 64 - HG2 LYS+ 17 8.333% * 0.0066% (0.07 1.0 0.02 0.02) = 0.007% HA ALA 34 - HG2 LYS+ 17 8.333% * 0.0053% (0.05 1.0 0.02 0.02) = 0.005% HA LYS+ 20 - HG2 LYS+ 17 8.333% * 0.0033% (0.03 1.0 0.02 0.10) = 0.003% HA ARG+ 53 - HG2 LYS+ 17 8.333% * 0.0033% (0.03 1.0 0.02 0.02) = 0.003% Peak 2496 (2.97, 1.79, 29.24 ppm): 9 chemical-shift based assignments, quality = 0.815, support = 2.95, residual support = 89.4: O QE LYS+ 55 - HD2 LYS+ 55 11.111% * 97.7435% (0.83 10.0 3.02 91.44) = 97.744% kept HD3 ARG+ 48 - HD2 LYS+ 55 11.111% * 0.9508% (0.96 1.0 0.17 0.02) = 0.951% HB2 ASP- 89 - HD2 LYS+ 55 11.111% * 0.9155% (0.72 1.0 0.22 3.73) = 0.916% HD3 ARG+ 88 - HD2 LYS+ 55 11.111% * 0.1160% (0.99 1.0 0.02 0.02) = 0.116% HE3 LYS+ 60 - HD2 LYS+ 55 11.111% * 0.0937% (0.80 1.0 0.02 0.02) = 0.094% QE LYS+ 17 - HD2 LYS+ 55 11.111% * 0.0663% (0.56 1.0 0.02 3.66) = 0.066% HB3 PHE 9 - HD2 LYS+ 55 11.111% * 0.0525% (0.45 1.0 0.02 0.02) = 0.052% QE LYS+ 11 - HD2 LYS+ 55 11.111% * 0.0325% (0.28 1.0 0.02 0.02) = 0.033% QE LYS+ 72 - HD2 LYS+ 55 11.111% * 0.0292% (0.25 1.0 0.02 0.10) = 0.029% Peak 2497 (2.98, 1.70, 29.24 ppm): 18 chemical-shift based assignments, quality = 0.556, support = 2.86, residual support = 90.0: O QE LYS+ 55 - HD3 LYS+ 55 5.556% * 98.4601% (0.56 10.0 2.90 91.44) = 98.460% kept HD3 ARG+ 48 - HD3 LYS+ 55 5.556% * 0.6687% (0.76 1.0 0.10 0.02) = 0.669% HD3 ARG+ 88 - HD3 LYS+ 55 5.556% * 0.1453% (0.83 1.0 0.02 0.02) = 0.145% QE LYS+ 11 - HD3 LYS+ 55 5.556% * 0.0915% (0.52 1.0 0.02 0.02) = 0.091% HE3 LYS+ 60 - HD3 LYS+ 55 5.556% * 0.0915% (0.52 1.0 0.02 0.02) = 0.091% QE LYS+ 72 - HD3 LYS+ 55 5.556% * 0.0847% (0.49 1.0 0.02 0.10) = 0.085% HB2 ASP- 89 - HD3 LYS+ 55 5.556% * 0.0780% (0.45 1.0 0.02 3.73) = 0.078% QE LYS+ 17 - HD3 LYS+ 55 5.556% * 0.0537% (0.31 1.0 0.02 3.66) = 0.054% HD3 ARG+ 88 - QB GLU- 30 5.556% * 0.0513% (0.29 1.0 0.02 0.02) = 0.051% HD3 ARG+ 48 - QB GLU- 30 5.556% * 0.0470% (0.27 1.0 0.02 0.15) = 0.047% HB3 PHE 9 - HD3 LYS+ 55 5.556% * 0.0387% (0.22 1.0 0.02 0.02) = 0.039% QE LYS+ 55 - QB GLU- 30 5.556% * 0.0348% (0.20 1.0 0.02 0.12) = 0.035% QE LYS+ 11 - QB GLU- 30 5.556% * 0.0323% (0.19 1.0 0.02 0.02) = 0.032% HE3 LYS+ 60 - QB GLU- 30 5.556% * 0.0323% (0.19 1.0 0.02 0.65) = 0.032% QE LYS+ 72 - QB GLU- 30 5.556% * 0.0299% (0.17 1.0 0.02 0.02) = 0.030% HB2 ASP- 89 - QB GLU- 30 5.556% * 0.0275% (0.16 1.0 0.02 0.39) = 0.028% QE LYS+ 17 - QB GLU- 30 5.556% * 0.0190% (0.11 1.0 0.02 0.98) = 0.019% HB3 PHE 9 - QB GLU- 30 5.556% * 0.0137% (0.08 1.0 0.02 0.02) = 0.014% Peak 2498 (4.10, 1.70, 29.24 ppm): 2 chemical-shift based assignments, quality = 0.234, support = 1.42, residual support = 5.01: T HA GLU- 30 - HD3 LYS+ 55 50.000% * 51.4875% (0.34 1.0 10.00 0.75 0.12) = 51.487% kept O T HA GLU- 30 - QB GLU- 30 50.000% * 48.5125% (0.12 10.0 10.00 2.14 10.21) = 48.513% kept Peak 2499 (4.75, 1.70, 29.24 ppm): 10 chemical-shift based assignments, quality = 0.984, support = 4.73, residual support = 87.2: T HA LYS+ 55 - HD3 LYS+ 55 10.000% * 95.3186% (0.99 10.00 4.92 91.44) = 95.319% kept HA ILE 85 - HD3 LYS+ 55 10.000% * 4.0981% (1.00 1.00 0.85 0.52) = 4.098% kept HA ALA 34 - HD3 LYS+ 55 10.000% * 0.2644% (0.49 1.00 0.11 0.02) = 0.264% HA ARG+ 53 - HD3 LYS+ 55 10.000% * 0.1786% (0.34 1.00 0.11 1.11) = 0.179% HA ILE 85 - QB GLU- 30 10.000% * 0.0340% (0.35 1.00 0.02 0.02) = 0.034% HA LYS+ 55 - QB GLU- 30 10.000% * 0.0337% (0.35 1.00 0.02 0.12) = 0.034% HA LYS+ 20 - HD3 LYS+ 55 10.000% * 0.0328% (0.34 1.00 0.02 0.02) = 0.033% HA ALA 34 - QB GLU- 30 10.000% * 0.0165% (0.17 1.00 0.02 0.02) = 0.017% HA LYS+ 20 - QB GLU- 30 10.000% * 0.0116% (0.12 1.00 0.02 0.27) = 0.012% HA ARG+ 53 - QB GLU- 30 10.000% * 0.0116% (0.12 1.00 0.02 0.02) = 0.012% Peak 2500 (4.75, 1.79, 29.24 ppm): 5 chemical-shift based assignments, quality = 0.805, support = 3.47, residual support = 56.8: HA LYS+ 55 - HD2 LYS+ 55 20.000% * 61.6906% (0.99 1.00 5.20 91.44) = 61.691% kept T HA ARG+ 53 - HD2 LYS+ 55 20.000% * 26.2883% (0.34 10.00 0.64 1.11) = 26.288% kept HA ILE 85 - HD2 LYS+ 55 20.000% * 10.5474% (1.00 1.00 0.88 0.52) = 10.547% kept T HA LYS+ 20 - HD2 LYS+ 55 20.000% * 0.8160% (0.34 10.00 0.02 0.02) = 0.816% HA ALA 34 - HD2 LYS+ 55 20.000% * 0.6578% (0.49 1.00 0.11 0.02) = 0.658% Peak 2501 (4.10, 1.79, 29.24 ppm): 1 chemical-shift based assignment, quality = 0.34, support = 0.02, residual support = 0.117: HA GLU- 30 - HD2 LYS+ 55 100.000% *100.0000% (0.34 0.02 0.12) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2502 (4.75, 2.96, 42.51 ppm): 5 chemical-shift based assignments, quality = 0.966, support = 3.61, residual support = 70.9: HA LYS+ 55 - QE LYS+ 55 20.000% * 77.3910% (0.99 4.41 91.44) = 77.391% kept HA ILE 85 - QE LYS+ 55 20.000% * 18.3656% (1.00 1.04 0.52) = 18.366% kept HA ALA 34 - QE LYS+ 55 20.000% * 2.1691% (0.49 0.25 0.02) = 2.169% kept HA ARG+ 53 - QE LYS+ 55 20.000% * 1.9535% (0.34 0.32 1.11) = 1.953% kept HA LYS+ 20 - QE LYS+ 55 20.000% * 0.1209% (0.34 0.02 0.02) = 0.121% Peak 2503 (1.36, 2.96, 42.51 ppm): 7 chemical-shift based assignments, quality = 0.917, support = 3.52, residual support = 76.5: O T QG LYS+ 55 - QE LYS+ 55 14.286% * 83.0155% (0.98 10.0 10.00 4.13 91.44) = 83.015% kept T HG2 LYS+ 17 - QE LYS+ 55 14.286% * 16.3553% (0.65 1.0 10.00 0.60 3.66) = 16.355% kept T HG2 ARG+ 88 - QE LYS+ 55 14.286% * 0.4456% (0.52 1.0 10.00 0.02 0.02) = 0.446% QB ALA 34 - QE LYS+ 55 14.286% * 0.0615% (0.72 1.0 1.00 0.02 0.02) = 0.061% QG LYS+ 60 - QE LYS+ 55 14.286% * 0.0548% (0.65 1.0 1.00 0.02 0.02) = 0.055% HG LEU 63 - QE LYS+ 55 14.286% * 0.0412% (0.49 1.0 1.00 0.02 8.82) = 0.041% HG12 ILE 14 - QE LYS+ 55 14.286% * 0.0261% (0.31 1.0 1.00 0.02 0.98) = 0.026% Peak 2504 (1.69, 2.96, 42.51 ppm): 10 chemical-shift based assignments, quality = 0.919, support = 3.1, residual support = 90.7: O HD3 LYS+ 55 - QE LYS+ 55 10.000% * 87.8223% (0.98 10.0 2.90 91.44) = 87.822% kept HB3 LYS+ 55 - QE LYS+ 55 10.000% * 11.3898% (0.52 1.0 4.83 91.44) = 11.390% kept QD LYS+ 17 - QE LYS+ 55 10.000% * 0.4625% (0.31 1.0 0.33 3.66) = 0.463% HG2 PRO 25 - QE LYS+ 55 10.000% * 0.0777% (0.87 1.0 0.02 0.02) = 0.078% QD LYS+ 60 - QE LYS+ 55 10.000% * 0.0717% (0.80 1.0 0.02 0.02) = 0.072% HG LEU 26 - QE LYS+ 55 10.000% * 0.0651% (0.72 1.0 0.02 0.02) = 0.065% QB GLU- 30 - QE LYS+ 55 10.000% * 0.0471% (0.52 1.0 0.02 0.12) = 0.047% HB2 GLU- 23 - QE LYS+ 55 10.000% * 0.0249% (0.28 1.0 0.02 0.42) = 0.025% HB2 LEU 43 - QE LYS+ 55 10.000% * 0.0249% (0.28 1.0 0.02 2.24) = 0.025% QD LYS+ 11 - QE LYS+ 55 10.000% * 0.0138% (0.15 1.0 0.02 0.02) = 0.014% Peak 2505 (1.78, 2.96, 42.51 ppm): 8 chemical-shift based assignments, quality = 0.814, support = 2.87, residual support = 80.3: O T HD2 LYS+ 55 - QE LYS+ 55 12.500% * 77.6494% (0.92 10.0 10.00 3.02 91.44) = 77.649% kept HB2 LYS+ 55 - QE LYS+ 55 12.500% * 9.7881% (0.49 1.0 1.00 4.78 91.44) = 9.788% kept T HB3 LYS+ 17 - QE LYS+ 55 12.500% * 9.0481% (0.37 1.0 10.00 0.57 3.66) = 9.048% kept HG3 ARG+ 53 - QE LYS+ 55 12.500% * 1.7341% (0.99 1.0 1.00 0.42 1.11) = 1.734% kept T HB3 LYS+ 20 - QE LYS+ 55 12.500% * 0.8393% (1.00 1.0 10.00 0.02 0.02) = 0.839% HG LEU 82 - QE LYS+ 55 12.500% * 0.8292% (0.89 1.0 1.00 0.22 4.95) = 0.829% HB ILE 95 - QE LYS+ 55 12.500% * 0.0643% (0.76 1.0 1.00 0.02 0.27) = 0.064% HB VAL 61 - QE LYS+ 55 12.500% * 0.0476% (0.56 1.0 1.00 0.02 2.19) = 0.048% Peak 2506 (1.69, 1.36, 24.71 ppm): 20 chemical-shift based assignments, quality = 0.777, support = 5.11, residual support = 95.6: O HD3 LYS+ 55 - QG LYS+ 55 5.000% * 61.4372% (0.98 10.0 5.04 91.44) = 61.437% kept O HB3 LYS+ 55 - QG LYS+ 55 5.000% * 32.9764% (0.52 10.0 5.36 91.44) = 32.976% kept O QD LYS+ 17 - HG2 LYS+ 17 5.000% * 4.1798% (0.07 10.0 5.91 220.78) = 4.180% kept HG2 PRO 25 - HG2 LYS+ 17 5.000% * 0.5393% (0.19 1.0 0.92 5.56) = 0.539% HG LEU 26 - QG LYS+ 55 5.000% * 0.4704% (0.72 1.0 0.21 0.02) = 0.470% HB3 LYS+ 55 - HG2 LYS+ 17 5.000% * 0.1297% (0.11 1.0 0.36 3.66) = 0.130% HG2 PRO 25 - QG LYS+ 55 5.000% * 0.0544% (0.87 1.0 0.02 0.02) = 0.054% QD LYS+ 60 - QG LYS+ 55 5.000% * 0.0502% (0.80 1.0 0.02 0.02) = 0.050% QB GLU- 30 - QG LYS+ 55 5.000% * 0.0330% (0.52 1.0 0.02 0.12) = 0.033% QD LYS+ 17 - QG LYS+ 55 5.000% * 0.0193% (0.31 1.0 0.02 3.66) = 0.019% HB2 LEU 43 - HG2 LYS+ 17 5.000% * 0.0189% (0.06 1.0 0.10 0.02) = 0.019% HB2 LEU 43 - QG LYS+ 55 5.000% * 0.0174% (0.28 1.0 0.02 2.24) = 0.017% HB2 GLU- 23 - QG LYS+ 55 5.000% * 0.0174% (0.28 1.0 0.02 0.42) = 0.017% HD3 LYS+ 55 - HG2 LYS+ 17 5.000% * 0.0133% (0.21 1.0 0.02 3.66) = 0.013% QD LYS+ 60 - HG2 LYS+ 17 5.000% * 0.0108% (0.17 1.0 0.02 0.38) = 0.011% HG LEU 26 - HG2 LYS+ 17 5.000% * 0.0098% (0.16 1.0 0.02 5.53) = 0.010% QD LYS+ 11 - QG LYS+ 55 5.000% * 0.0097% (0.15 1.0 0.02 0.02) = 0.010% QB GLU- 30 - HG2 LYS+ 17 5.000% * 0.0071% (0.11 1.0 0.02 0.98) = 0.007% HB2 GLU- 23 - HG2 LYS+ 17 5.000% * 0.0038% (0.06 1.0 0.02 0.13) = 0.004% QD LYS+ 11 - HG2 LYS+ 17 5.000% * 0.0021% (0.03 1.0 0.02 0.02) = 0.002% Peak 2507 (1.78, 1.36, 24.71 ppm): 16 chemical-shift based assignments, quality = 0.694, support = 4.76, residual support = 87.3: O HD2 LYS+ 55 - QG LYS+ 55 6.250% * 54.6208% (0.92 10.0 1.00 5.17 91.44) = 54.621% kept O T HB2 LYS+ 55 - QG LYS+ 55 6.250% * 28.8011% (0.49 10.0 10.00 5.40 91.44) = 28.801% kept T HB3 LYS+ 17 - QG LYS+ 55 6.250% * 9.5473% (0.37 1.0 10.00 0.86 3.66) = 9.547% kept O T HB3 LYS+ 17 - HG2 LYS+ 17 6.250% * 4.7981% (0.08 10.0 10.00 6.14 220.78) = 4.798% kept HG LEU 82 - QG LYS+ 55 6.250% * 1.2622% (0.89 1.0 1.00 0.48 4.95) = 1.262% kept T HB3 LYS+ 20 - QG LYS+ 55 6.250% * 0.5904% (1.00 1.0 10.00 0.02 0.02) = 0.590% T HB3 LYS+ 20 - HG2 LYS+ 17 6.250% * 0.1276% (0.22 1.0 10.00 0.02 0.10) = 0.128% T HB2 LYS+ 55 - HG2 LYS+ 17 6.250% * 0.0622% (0.10 1.0 10.00 0.02 3.66) = 0.062% HG3 ARG+ 53 - QG LYS+ 55 6.250% * 0.0586% (0.99 1.0 1.00 0.02 1.11) = 0.059% HB ILE 95 - QG LYS+ 55 6.250% * 0.0452% (0.76 1.0 1.00 0.02 0.27) = 0.045% HB VAL 61 - QG LYS+ 55 6.250% * 0.0335% (0.56 1.0 1.00 0.02 2.19) = 0.033% HG3 ARG+ 53 - HG2 LYS+ 17 6.250% * 0.0127% (0.21 1.0 1.00 0.02 0.02) = 0.013% HD2 LYS+ 55 - HG2 LYS+ 17 6.250% * 0.0118% (0.20 1.0 1.00 0.02 3.66) = 0.012% HG LEU 82 - HG2 LYS+ 17 6.250% * 0.0115% (0.19 1.0 1.00 0.02 0.41) = 0.011% HB ILE 95 - HG2 LYS+ 17 6.250% * 0.0098% (0.16 1.0 1.00 0.02 0.02) = 0.010% HB VAL 61 - HG2 LYS+ 17 6.250% * 0.0072% (0.12 1.0 1.00 0.02 3.57) = 0.007% Peak 2508 (7.49, 1.70, 29.24 ppm): 12 chemical-shift based assignments, quality = 0.31, support = 1.55, residual support = 5.5: O HN GLU- 30 - QB GLU- 30 8.333% * 32.5370% (0.08 10.0 1.35 10.21) = 32.537% kept HN TYR 31 - QB GLU- 30 8.333% * 28.0450% (0.33 1.0 2.81 7.19) = 28.045% kept HN LEU 76 - HD3 LYS+ 55 8.333% * 19.3444% (0.61 1.0 1.04 0.42) = 19.344% kept HN LYS+ 60 - QB GLU- 30 8.333% * 9.9591% (0.33 1.0 0.97 0.65) = 9.959% kept HN THR 39 - HD3 LYS+ 55 8.333% * 2.9733% (1.00 1.0 0.10 0.54) = 2.973% kept HN THR 39 - QB GLU- 30 8.333% * 2.6937% (0.35 1.0 0.25 0.02) = 2.694% kept HE21 GLN 8 - HD3 LYS+ 55 8.333% * 2.3392% (0.15 1.0 0.50 0.02) = 2.339% kept HN GLU- 30 - HD3 LYS+ 55 8.333% * 0.8011% (0.22 1.0 0.12 0.12) = 0.801% HN LYS+ 60 - HD3 LYS+ 55 8.333% * 0.5784% (0.94 1.0 0.02 0.02) = 0.578% HN TYR 31 - HD3 LYS+ 55 8.333% * 0.5644% (0.92 1.0 0.02 0.02) = 0.564% HN LEU 76 - QB GLU- 30 8.333% * 0.1310% (0.21 1.0 0.02 0.02) = 0.131% HE21 GLN 8 - QB GLU- 30 8.333% * 0.0333% (0.05 1.0 0.02 0.02) = 0.033% Peak 2509 (7.70, 1.70, 29.24 ppm): 4 chemical-shift based assignments, quality = 0.198, support = 0.182, residual support = 0.0527: HN ASN 75 - HD3 LYS+ 55 25.000% * 43.3193% (0.17 0.24 0.02) = 43.319% kept HN LYS+ 72 - HD3 LYS+ 55 25.000% * 37.1972% (0.28 0.13 0.10) = 37.197% kept HN LYS+ 72 - QB GLU- 30 25.000% * 18.1858% (0.10 0.18 0.02) = 18.186% kept HN ASN 75 - QB GLU- 30 25.000% * 1.2977% (0.06 0.02 0.13) = 1.298% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2510 (7.07, 1.36, 24.71 ppm): 2 chemical-shift based assignments, quality = 0.343, support = 5.1, residual support = 112.6: HN LYS+ 17 - HG2 LYS+ 17 50.000% * 50.1945% (0.12 8.37 220.78) = 50.195% kept HN LYS+ 17 - QG LYS+ 55 50.000% * 49.8055% (0.56 1.79 3.66) = 49.805% kept Peak 2511 (8.74, 1.36, 24.71 ppm): 10 chemical-shift based assignments, quality = 0.767, support = 2.24, residual support = 4.83: HN PHE 13 - QG LYS+ 55 10.000% * 28.5093% (0.76 2.81 3.34) = 28.509% kept HN MET 10 - QG LYS+ 55 10.000% * 25.8827% (0.89 2.17 2.65) = 25.883% kept HN THR 64 - QG LYS+ 55 10.000% * 20.6482% (0.65 2.40 12.69) = 20.648% kept HN GLY 27 - QG LYS+ 55 10.000% * 18.5524% (0.89 1.56 1.43) = 18.552% kept HN LEU 82 - QG LYS+ 55 10.000% * 6.2056% (0.31 1.51 4.95) = 6.206% kept HN MET 10 - HG2 LYS+ 17 10.000% * 0.0515% (0.19 0.02 0.02) = 0.052% HN GLY 27 - HG2 LYS+ 17 10.000% * 0.0515% (0.19 0.02 0.02) = 0.052% HN PHE 13 - HG2 LYS+ 17 10.000% * 0.0439% (0.16 0.02 0.02) = 0.044% HN THR 64 - HG2 LYS+ 17 10.000% * 0.0372% (0.14 0.02 0.02) = 0.037% HN LEU 82 - HG2 LYS+ 17 10.000% * 0.0177% (0.07 0.02 0.41) = 0.018% Peak 2512 (9.29, 1.36, 24.71 ppm): 6 chemical-shift based assignments, quality = 0.408, support = 4.15, residual support = 45.4: HN LYS+ 55 - QG LYS+ 55 16.667% * 48.6537% (0.14 7.52 91.44) = 48.654% kept HN LEU 43 - QG LYS+ 55 16.667% * 38.2591% (0.83 0.96 2.24) = 38.259% kept HN GLN 83 - QG LYS+ 55 16.667% * 9.5228% (0.17 1.14 0.40) = 9.523% kept HN LEU 43 - HG2 LYS+ 17 16.667% * 3.5002% (0.18 0.41 0.02) = 3.500% kept HN GLN 83 - HG2 LYS+ 17 16.667% * 0.0362% (0.04 0.02 0.95) = 0.036% HN LYS+ 55 - HG2 LYS+ 17 16.667% * 0.0280% (0.03 0.02 3.66) = 0.028% Peak 2513 (8.75, 1.68, 37.70 ppm): 4 chemical-shift based assignments, quality = 0.686, support = 2.32, residual support = 6.55: HN THR 64 - HB3 LYS+ 55 25.000% * 39.0895% (0.91 2.40 12.69) = 39.089% kept HN PHE 13 - HB3 LYS+ 55 25.000% * 24.0868% (0.44 3.05 3.34) = 24.087% kept HN MET 10 - HB3 LYS+ 55 25.000% * 21.1966% (0.60 1.98 2.65) = 21.197% kept HN GLY 27 - HB3 LYS+ 55 25.000% * 15.6272% (0.60 1.46 1.43) = 15.627% kept Peak 2514 (9.27, 1.68, 37.70 ppm): 4 chemical-shift based assignments, quality = 0.868, support = 5.54, residual support = 76.8: O HN LYS+ 55 - HB3 LYS+ 55 25.000% * 83.7195% (0.89 10.0 6.31 91.44) = 83.719% kept HN GLN 83 - HB3 LYS+ 55 25.000% * 6.5685% (0.94 1.0 1.49 0.40) = 6.568% kept HN ARG+ 90 - HB3 LYS+ 55 25.000% * 5.2929% (0.64 1.0 1.75 2.84) = 5.293% kept HN LEU 43 - HB3 LYS+ 55 25.000% * 4.4192% (0.64 1.0 1.46 2.24) = 4.419% kept Peak 2515 (8.75, 1.76, 37.70 ppm): 4 chemical-shift based assignments, quality = 0.699, support = 2.18, residual support = 6.75: HN THR 64 - HB2 LYS+ 55 25.000% * 41.4972% (0.91 2.45 12.69) = 41.497% kept HN MET 10 - HB2 LYS+ 55 25.000% * 20.9244% (0.60 1.88 2.65) = 20.924% kept HN PHE 13 - HB2 LYS+ 55 25.000% * 20.5266% (0.44 2.50 3.34) = 20.527% kept HN GLY 27 - HB2 LYS+ 55 25.000% * 17.0518% (0.60 1.53 1.43) = 17.052% kept Peak 2516 (9.28, 1.76, 37.70 ppm): 4 chemical-shift based assignments, quality = 0.622, support = 5.23, residual support = 72.8: O HN LYS+ 55 - HB2 LYS+ 55 25.000% * 79.1739% (0.60 10.0 6.17 91.44) = 79.174% kept HN LEU 43 - HB2 LYS+ 55 25.000% * 8.8383% (0.91 1.0 1.47 2.24) = 8.838% kept HN GLN 83 - HB2 LYS+ 55 25.000% * 7.3243% (0.68 1.0 1.63 0.40) = 7.324% kept HN ARG+ 90 - HB2 LYS+ 55 25.000% * 4.6635% (0.34 1.0 2.09 2.84) = 4.664% kept Peak 2517 (5.09, 1.05, 25.36 ppm): 4 chemical-shift based assignments, quality = 0.888, support = 4.77, residual support = 159.6: O HA LYS+ 56 - HG2 LYS+ 56 25.000% * 99.2657% (0.89 10.0 4.81 160.79) = 99.266% kept HA LYS+ 80 - HG2 LYS+ 56 25.000% * 0.6115% (0.61 1.0 0.18 0.15) = 0.612% HA1 GLY 66 - HG2 LYS+ 56 25.000% * 0.0886% (0.80 1.0 0.02 0.02) = 0.089% HA VAL 40 - HG2 LYS+ 56 25.000% * 0.0342% (0.31 1.0 0.02 0.02) = 0.034% Peak 2518 (5.10, 0.96, 25.36 ppm): 8 chemical-shift based assignments, quality = 0.37, support = 5.32, residual support = 117.1: O HA LYS+ 56 - HG3 LYS+ 56 12.500% * 72.2417% (0.34 10.0 1.00 6.87 160.79) = 72.242% kept T HA VAL 40 - HG3 LYS+ 56 12.500% * 9.9614% (0.87 1.0 10.00 0.11 0.02) = 9.961% kept T HA VAL 40 - QD2 LEU 82 12.500% * 7.5977% (0.22 1.0 10.00 0.32 0.02) = 7.598% kept HA GLN 83 - QD2 LEU 82 12.500% * 6.4017% (0.13 1.0 1.00 4.50 15.04) = 6.402% kept HA GLN 83 - HG3 LYS+ 56 12.500% * 2.2295% (0.52 1.0 1.00 0.40 0.11) = 2.229% kept HA LYS+ 56 - QD2 LEU 82 12.500% * 1.5016% (0.09 1.0 1.00 1.63 0.72) = 1.502% kept HA1 GLY 66 - HG3 LYS+ 56 12.500% * 0.0528% (0.25 1.0 1.00 0.02 0.02) = 0.053% HA1 GLY 66 - QD2 LEU 82 12.500% * 0.0135% (0.06 1.0 1.00 0.02 0.13) = 0.013% Peak 2519 (9.24, 5.08, 55.80 ppm): 5 chemical-shift based assignments, quality = 0.54, support = 3.43, residual support = 13.4: O HN ARG+ 57 - HA LYS+ 56 20.000% * 58.6259% (0.48 10.0 3.46 11.41) = 58.626% kept HN LYS+ 55 - HA LYS+ 56 20.000% * 13.9285% (0.44 1.0 5.16 40.06) = 13.929% kept HN GLY 58 - HA LYS+ 56 20.000% * 12.3783% (0.82 1.0 2.46 2.21) = 12.378% kept HN ARG+ 90 - HA LYS+ 56 20.000% * 12.2353% (0.71 1.0 2.80 7.09) = 12.235% kept HN GLN 83 - HA LYS+ 56 20.000% * 2.8319% (0.37 1.0 1.25 0.11) = 2.832% kept Peak 2520 (8.74, 5.08, 55.80 ppm): 6 chemical-shift based assignments, quality = 0.626, support = 3.02, residual support = 62.2: O HN LYS+ 56 - HA LYS+ 56 16.667% * 37.2842% (0.22 10.0 3.84 160.79) = 37.284% kept HN MET 10 - HA LYS+ 56 16.667% * 30.2535% (0.97 1.0 3.65 3.71) = 30.253% kept HN PHE 13 - HA LYS+ 56 16.667% * 12.3526% (0.90 1.0 1.60 6.30) = 12.353% kept HN GLY 27 - HA LYS+ 56 16.667% * 9.3070% (0.97 1.0 1.12 0.89) = 9.307% kept HN THR 64 - HA LYS+ 56 16.667% * 7.9104% (0.44 1.0 2.11 3.30) = 7.910% kept HN LEU 82 - HA LYS+ 56 16.667% * 2.8923% (0.48 1.0 0.71 0.72) = 2.892% kept Peak 2521 (8.74, 1.66, 33.96 ppm): 6 chemical-shift based assignments, quality = 0.597, support = 2.7, residual support = 65.3: O HN LYS+ 56 - HB2 LYS+ 56 16.667% * 39.2468% (0.22 10.0 3.94 160.79) = 39.247% kept HN PHE 13 - HB2 LYS+ 56 16.667% * 18.4847% (0.90 1.0 2.27 6.30) = 18.485% kept HN MET 10 - HB2 LYS+ 56 16.667% * 17.3615% (0.97 1.0 1.99 3.71) = 17.361% kept HN GLY 27 - HB2 LYS+ 56 16.667% * 12.0078% (0.97 1.0 1.37 0.89) = 12.008% kept HN THR 64 - HB2 LYS+ 56 16.667% * 8.1160% (0.44 1.0 2.05 3.30) = 8.116% kept HN LEU 82 - HB2 LYS+ 56 16.667% * 4.7832% (0.48 1.0 1.11 0.72) = 4.783% kept Peak 2522 (9.25, 1.66, 33.96 ppm): 5 chemical-shift based assignments, quality = 0.711, support = 4.84, residual support = 21.2: HN LYS+ 55 - HB2 LYS+ 56 20.000% * 43.6699% (0.71 6.70 40.06) = 43.670% kept HN ARG+ 90 - HB2 LYS+ 56 20.000% * 31.5573% (0.93 3.72 7.09) = 31.557% kept HN ARG+ 57 - HB2 LYS+ 56 20.000% * 10.7407% (0.24 4.80 11.41) = 10.741% kept HN GLY 58 - HB2 LYS+ 56 20.000% * 10.1395% (0.55 2.00 2.21) = 10.140% kept HN GLN 83 - HB2 LYS+ 56 20.000% * 3.8926% (0.63 0.67 0.11) = 3.893% kept Peak 2523 (8.74, 1.24, 33.96 ppm): 6 chemical-shift based assignments, quality = 0.576, support = 2.31, residual support = 69.0: O HN LYS+ 56 - HB3 LYS+ 56 16.667% * 41.6050% (0.22 10.0 3.13 160.79) = 41.605% kept HN MET 10 - HB3 LYS+ 56 16.667% * 18.1678% (0.97 1.0 1.96 3.71) = 18.168% kept HN PHE 13 - HB3 LYS+ 56 16.667% * 16.1381% (0.90 1.0 1.87 6.30) = 16.138% kept HN GLY 27 - HB3 LYS+ 56 16.667% * 10.3855% (0.97 1.0 1.12 0.89) = 10.386% kept HN THR 64 - HB3 LYS+ 56 16.667% * 8.6300% (0.44 1.0 2.06 3.30) = 8.630% kept HN LEU 82 - HB3 LYS+ 56 16.667% * 5.0736% (0.48 1.0 1.12 0.72) = 5.074% kept Peak 2524 (9.25, 1.24, 33.96 ppm): 5 chemical-shift based assignments, quality = 0.732, support = 4.26, residual support = 21.5: HN LYS+ 55 - HB3 LYS+ 56 20.000% * 45.1165% (0.71 5.98 40.06) = 45.117% kept HN ARG+ 90 - HB3 LYS+ 56 20.000% * 33.9224% (0.93 3.45 7.09) = 33.922% kept HN GLY 58 - HB3 LYS+ 56 20.000% * 8.8854% (0.55 1.51 2.21) = 8.885% kept HN ARG+ 57 - HB3 LYS+ 56 20.000% * 7.5728% (0.24 2.92 11.41) = 7.573% kept HN GLN 83 - HB3 LYS+ 56 20.000% * 4.5028% (0.63 0.67 0.11) = 4.503% kept Peak 2525 (8.74, 0.96, 25.36 ppm): 12 chemical-shift based assignments, quality = 0.625, support = 2.65, residual support = 27.7: HN PHE 13 - HG3 LYS+ 56 8.333% * 18.8052% (0.92 2.23 6.30) = 18.805% kept HN MET 10 - HG3 LYS+ 56 8.333% * 17.8695% (0.99 1.97 3.71) = 17.870% kept HN GLY 27 - HG3 LYS+ 56 8.333% * 13.2555% (0.99 1.46 0.89) = 13.255% kept HN LYS+ 56 - HG3 LYS+ 56 8.333% * 12.3481% (0.22 6.07 160.79) = 12.348% kept HN THR 64 - HG3 LYS+ 56 8.333% * 10.1047% (0.45 2.47 3.30) = 10.105% kept HN LEU 82 - HG3 LYS+ 56 8.333% * 5.8857% (0.49 1.32 0.72) = 5.886% kept HN PHE 13 - QD2 LEU 82 8.333% * 5.6533% (0.24 2.63 21.41) = 5.653% kept HN MET 10 - QD2 LEU 82 8.333% * 5.0784% (0.25 2.20 2.73) = 5.078% kept HN LEU 82 - QD2 LEU 82 8.333% * 4.6283% (0.12 4.08 82.56) = 4.628% kept HN THR 64 - QD2 LEU 82 8.333% * 3.6628% (0.11 3.50 9.79) = 3.663% kept HN GLY 27 - QD2 LEU 82 8.333% * 2.6981% (0.25 1.17 0.53) = 2.698% kept HN LYS+ 56 - QD2 LEU 82 8.333% * 0.0104% (0.06 0.02 0.72) = 0.010% Peak 2526 (9.26, 0.96, 25.36 ppm): 10 chemical-shift based assignments, quality = 0.8, support = 5.46, residual support = 24.4: HN LYS+ 55 - HG3 LYS+ 56 10.000% * 53.2436% (0.92 7.88 40.06) = 53.244% kept HN ARG+ 90 - HG3 LYS+ 56 10.000% * 21.7639% (1.00 2.98 7.09) = 21.764% kept HN GLN 83 - QD2 LEU 82 10.000% * 6.8888% (0.22 4.25 15.04) = 6.889% kept HN GLN 83 - HG3 LYS+ 56 10.000% * 5.6094% (0.87 0.88 0.11) = 5.609% kept HN LYS+ 55 - QD2 LEU 82 10.000% * 4.6766% (0.24 2.71 4.95) = 4.677% kept HN GLY 58 - HG3 LYS+ 56 10.000% * 3.7685% (0.34 1.51 2.21) = 3.768% kept HN LEU 43 - HG3 LYS+ 56 10.000% * 2.1598% (0.20 1.49 3.51) = 2.160% kept HN LEU 43 - QD2 LEU 82 10.000% * 1.4165% (0.05 3.83 8.35) = 1.417% kept HN ARG+ 90 - QD2 LEU 82 10.000% * 0.4600% (0.25 0.25 0.02) = 0.460% HN GLY 58 - QD2 LEU 82 10.000% * 0.0127% (0.09 0.02 0.02) = 0.013% Peak 2527 (8.75, 1.05, 25.36 ppm): 4 chemical-shift based assignments, quality = 0.71, support = 2.21, residual support = 3.85: HN THR 64 - HG2 LYS+ 56 25.000% * 46.3414% (0.92 2.48 3.30) = 46.341% kept HN PHE 13 - HG2 LYS+ 56 25.000% * 26.0381% (0.45 2.86 6.30) = 26.038% kept HN MET 10 - HG2 LYS+ 56 25.000% * 15.2046% (0.61 1.24 3.71) = 15.205% kept HN GLY 27 - HG2 LYS+ 56 25.000% * 12.4159% (0.61 1.01 0.89) = 12.416% kept Peak 2528 (9.26, 1.05, 25.36 ppm): 5 chemical-shift based assignments, quality = 0.891, support = 4.42, residual support = 28.1: HN LYS+ 55 - HG2 LYS+ 56 20.000% * 65.5523% (0.92 5.91 40.06) = 65.552% kept HN ARG+ 90 - HG2 LYS+ 56 20.000% * 22.9884% (1.00 1.92 7.09) = 22.988% kept HN GLY 58 - HG2 LYS+ 56 20.000% * 5.6208% (0.34 1.37 2.21) = 5.621% kept HN GLN 83 - HG2 LYS+ 56 20.000% * 4.0806% (0.87 0.39 0.11) = 4.081% kept HN LEU 43 - HG2 LYS+ 56 20.000% * 1.7580% (0.20 0.74 3.51) = 1.758% kept Peak 2529 (1.02, 1.66, 33.96 ppm): 2 chemical-shift based assignments, quality = 0.959, support = 2.46, residual support = 6.3: T QG2 THR 91 - HB2 LYS+ 56 50.000% * 98.3346% (0.97 10.00 2.48 6.39) = 98.335% kept QD1 ILE 38 - HB2 LYS+ 56 50.000% * 1.6654% (0.24 1.00 1.35 1.10) = 1.665% kept Peak 2530 (0.77, 1.66, 33.96 ppm): 2 chemical-shift based assignments, quality = 0.95, support = 3.7, residual support = 8.3: T QG2 VAL 71 - HB2 LYS+ 56 50.000% * 94.9260% (0.97 10.00 3.79 8.56) = 94.926% kept QD1 LEU 43 - HB2 LYS+ 56 50.000% * 5.0740% (0.55 1.00 1.87 3.51) = 5.074% kept Peak 2531 (1.02, 1.24, 33.96 ppm): 4 chemical-shift based assignments, quality = 0.75, support = 2.38, residual support = 4.74: QG2 THR 91 - HB3 LYS+ 56 25.000% * 64.4159% (0.95 2.65 6.39) = 64.416% kept QD1 ILE 38 - HB3 LYS+ 56 25.000% * 26.2267% (0.44 2.32 1.10) = 26.227% kept QG1 VAL 40 - HB3 LYS+ 56 25.000% * 4.8621% (0.27 0.69 0.02) = 4.862% kept HG LEU 76 - HB3 LYS+ 56 25.000% * 4.4953% (0.27 0.64 7.42) = 4.495% kept Peak 2532 (0.79, 1.24, 33.96 ppm): 5 chemical-shift based assignments, quality = 0.586, support = 2.51, residual support = 13.1: T QG2 VAL 61 - HB3 LYS+ 56 20.000% * 81.8027% (0.59 10.00 2.64 14.84) = 81.803% kept QG2 VAL 71 - HB3 LYS+ 56 20.000% * 7.3532% (0.33 1.00 3.20 8.56) = 7.353% kept QG2 ILE 96 - HB3 LYS+ 56 20.000% * 6.7976% (0.78 1.00 1.26 1.39) = 6.798% kept HG LEU 22 - HB3 LYS+ 56 20.000% * 3.0463% (0.52 1.00 0.86 5.47) = 3.046% kept HB2 LEU 76 - HB3 LYS+ 56 20.000% * 1.0002% (0.55 1.00 0.26 7.42) = 1.000% kept Peak 2533 (2.37, 1.05, 25.36 ppm): 3 chemical-shift based assignments, quality = 0.557, support = 4.29, residual support = 157.6: O HE3 LYS+ 56 - HG2 LYS+ 56 33.333% * 97.9933% (0.56 10.0 4.37 160.79) = 97.993% kept HB3 ASP- 89 - HG2 LYS+ 56 33.333% * 1.5935% (0.20 1.0 0.93 0.02) = 1.593% kept HG3 GLU- 68 - HG2 LYS+ 56 33.333% * 0.4132% (0.56 1.0 0.08 0.02) = 0.413% Peak 2534 (2.55, 1.05, 25.36 ppm): 7 chemical-shift based assignments, quality = 0.677, support = 5.37, residual support = 151.0: O HE2 LYS+ 56 - HG2 LYS+ 56 14.286% * 93.8540% (0.69 10.0 5.68 160.79) = 93.854% kept HB3 ASP- 41 - HG2 LYS+ 56 14.286% * 3.6769% (0.69 1.0 0.78 0.46) = 3.677% kept HB3 PHE 13 - HG2 LYS+ 56 14.286% * 1.8666% (0.45 1.0 0.61 6.30) = 1.867% kept HB3 ASN 75 - HG2 LYS+ 56 14.286% * 0.3328% (0.56 1.0 0.09 0.52) = 0.333% HB3 TYR 81 - HG2 LYS+ 56 14.286% * 0.1261% (0.92 1.0 0.02 1.05) = 0.126% HG3 MET 1 - HG2 LYS+ 56 14.286% * 0.1225% (0.89 1.0 0.02 0.02) = 0.123% QB PHE 62 - HG2 LYS+ 56 14.286% * 0.0211% (0.15 1.0 0.02 0.85) = 0.021% Peak 2535 (2.37, 0.96, 25.36 ppm): 6 chemical-shift based assignments, quality = 0.552, support = 5.68, residual support = 155.6: O T HE3 LYS+ 56 - HG3 LYS+ 56 16.667% * 96.7924% (0.56 10.0 10.00 5.84 160.79) = 96.792% kept HB3 ASP- 89 - HG3 LYS+ 56 16.667% * 1.8273% (0.20 1.0 1.00 1.08 0.02) = 1.827% kept HE3 LYS+ 56 - QD2 LEU 82 16.667% * 1.2502% (0.14 1.0 1.00 1.01 0.72) = 1.250% kept HG3 GLU- 68 - HG3 LYS+ 56 16.667% * 0.0968% (0.56 1.0 1.00 0.02 0.02) = 0.097% HG3 GLU- 68 - QD2 LEU 82 16.667% * 0.0247% (0.14 1.0 1.00 0.02 0.02) = 0.025% HB3 ASP- 89 - QD2 LEU 82 16.667% * 0.0086% (0.05 1.0 1.00 0.02 0.02) = 0.009% Peak 2536 (2.55, 0.96, 25.36 ppm): 16 chemical-shift based assignments, quality = 0.554, support = 3.0, residual support = 53.0: T HB3 ASP- 41 - HG3 LYS+ 56 6.250% * 33.9368% (0.89 1.0 10.00 1.05 0.46) = 33.937% kept O T HE2 LYS+ 56 - HG3 LYS+ 56 6.250% * 32.2827% (0.45 10.0 10.00 6.88 160.79) = 32.283% kept T QB PHE 62 - HG3 LYS+ 56 6.250% * 12.9137% (0.31 1.0 10.00 1.16 0.85) = 12.914% kept T HB2 ARG+ 90 - HG3 LYS+ 56 6.250% * 8.4092% (0.14 1.0 10.00 1.73 7.09) = 8.409% kept HB3 ASN 75 - HG3 LYS+ 56 6.250% * 4.1943% (0.80 1.0 1.00 1.45 0.52) = 4.194% kept T HB3 TYR 81 - HG3 LYS+ 56 6.250% * 2.4615% (0.72 1.0 10.00 0.09 1.05) = 2.461% kept HB3 TYR 81 - QD2 LEU 82 6.250% * 2.1040% (0.18 1.0 1.00 3.15 6.52) = 2.104% kept HB3 ASN 75 - QD2 LEU 82 6.250% * 0.9441% (0.20 1.0 1.00 1.28 0.88) = 0.944% T HB3 ASP- 41 - QD2 LEU 82 6.250% * 0.8364% (0.23 1.0 10.00 0.10 0.02) = 0.836% HB3 PHE 13 - QD2 LEU 82 6.250% * 0.7350% (0.06 1.0 1.00 3.21 21.41) = 0.735% HB3 PHE 13 - HG3 LYS+ 56 6.250% * 0.5526% (0.25 1.0 1.00 0.62 6.30) = 0.553% HE2 LYS+ 56 - QD2 LEU 82 6.250% * 0.4860% (0.11 1.0 1.00 1.18 0.72) = 0.486% T QB PHE 62 - QD2 LEU 82 6.250% * 0.0567% (0.08 1.0 10.00 0.02 0.02) = 0.057% HG3 MET 1 - HG3 LYS+ 56 6.250% * 0.0495% (0.69 1.0 1.00 0.02 0.02) = 0.049% T HB2 ARG+ 90 - QD2 LEU 82 6.250% * 0.0249% (0.03 1.0 10.00 0.02 0.02) = 0.025% HG3 MET 1 - QD2 LEU 82 6.250% * 0.0126% (0.17 1.0 1.00 0.02 0.02) = 0.013% Peak 2537 (0.78, 1.18, 29.57 ppm): 6 chemical-shift based assignments, quality = 0.454, support = 3.1, residual support = 9.67: QG2 VAL 71 - HD3 LYS+ 56 16.667% * 40.5294% (0.61 2.84 8.56) = 40.529% kept QG2 VAL 61 - HD3 LYS+ 56 16.667% * 37.1108% (0.34 4.62 14.84) = 37.111% kept QG2 ILE 96 - HD3 LYS+ 56 16.667% * 11.0414% (0.52 0.89 1.39) = 11.041% kept QD1 LEU 43 - HD3 LYS+ 56 16.667% * 6.4892% (0.15 1.79 3.51) = 6.489% kept HB2 LEU 76 - HD3 LYS+ 56 16.667% * 2.6304% (0.31 0.36 7.42) = 2.630% kept HG LEU 22 - HD3 LYS+ 56 16.667% * 2.1988% (0.28 0.34 5.47) = 2.199% kept Peak 2538 (0.98, 1.18, 29.57 ppm): 10 chemical-shift based assignments, quality = 0.559, support = 5.21, residual support = 140.3: O HG3 LYS+ 56 - HD3 LYS+ 56 10.000% * 87.1443% (0.56 10.0 5.89 160.79) = 87.144% kept QG2 THR 64 - HD3 LYS+ 56 10.000% * 3.3646% (0.83 1.0 0.52 3.30) = 3.365% kept QD2 LEU 82 - HD3 LYS+ 56 10.000% * 2.8308% (0.41 1.0 0.89 0.72) = 2.831% kept QD1 ILE 38 - HD3 LYS+ 56 10.000% * 2.4952% (0.37 1.0 0.86 1.10) = 2.495% kept QG1 VAL 40 - HD3 LYS+ 56 10.000% * 1.8857% (0.56 1.0 0.43 0.02) = 1.886% kept QG2 ILE 14 - HD3 LYS+ 56 10.000% * 1.1597% (0.61 1.0 0.25 2.54) = 1.160% kept HG LEU 76 - HD3 LYS+ 56 10.000% * 0.8983% (0.56 1.0 0.21 7.42) = 0.898% QG2 ILE 85 - HD3 LYS+ 56 10.000% * 0.1526% (0.99 1.0 0.02 0.02) = 0.153% QG2 VAL 52 - HD3 LYS+ 56 10.000% * 0.0384% (0.25 1.0 0.02 0.02) = 0.038% HB3 ARG+ 48 - HD3 LYS+ 56 10.000% * 0.0305% (0.20 1.0 0.02 0.02) = 0.030% Peak 2539 (1.28, 1.18, 29.57 ppm): 4 chemical-shift based assignments, quality = 0.941, support = 4.38, residual support = 154.7: O T HD2 LYS+ 56 - HD3 LYS+ 56 25.000% * 96.1958% (0.94 10.0 10.00 4.52 160.79) = 96.196% kept HB3 LEU 63 - HD3 LYS+ 56 25.000% * 3.6571% (0.89 1.0 1.00 0.80 0.50) = 3.657% kept QD1 LEU 82 - HD3 LYS+ 56 25.000% * 0.1015% (1.00 1.0 1.00 0.02 0.72) = 0.101% QG2 THR 51 - HD3 LYS+ 56 25.000% * 0.0456% (0.45 1.0 1.00 0.02 0.02) = 0.046% Peak 2540 (1.64, 1.18, 29.57 ppm): 6 chemical-shift based assignments, quality = 0.673, support = 5.53, residual support = 155.9: O HB2 LYS+ 56 - HD3 LYS+ 56 16.667% * 96.9340% (0.69 10.0 5.69 160.79) = 96.934% kept HG LEU 43 - HD3 LYS+ 56 16.667% * 2.0362% (0.45 1.0 0.64 3.51) = 2.036% kept HB ILE 96 - HD3 LYS+ 56 16.667% * 0.7236% (0.31 1.0 0.33 1.39) = 0.724% HB VAL 94 - HD3 LYS+ 56 16.667% * 0.2182% (0.34 1.0 0.09 0.02) = 0.218% QB PRO 12 - HD3 LYS+ 56 16.667% * 0.0530% (0.37 1.0 0.02 0.02) = 0.053% QD LYS+ 11 - HD3 LYS+ 56 16.667% * 0.0352% (0.25 1.0 0.02 0.76) = 0.035% Peak 2541 (2.37, 1.18, 29.57 ppm): 3 chemical-shift based assignments, quality = 0.564, support = 4.53, residual support = 160.6: O T HE3 LYS+ 56 - HD3 LYS+ 56 33.333% * 99.8652% (0.56 10.0 10.00 4.54 160.79) = 99.865% kept HG3 GLU- 68 - HD3 LYS+ 56 33.333% * 0.0999% (0.56 1.0 1.00 0.02 0.02) = 0.100% HB3 ASP- 89 - HD3 LYS+ 56 33.333% * 0.0349% (0.20 1.0 1.00 0.02 0.02) = 0.035% Peak 2542 (2.55, 1.18, 29.57 ppm): 7 chemical-shift based assignments, quality = 0.685, support = 5.37, residual support = 150.3: O T HE2 LYS+ 56 - HD3 LYS+ 56 14.286% * 93.4597% (0.69 10.0 10.00 5.69 160.79) = 93.460% kept HB3 ASP- 41 - HD3 LYS+ 56 14.286% * 4.7489% (0.69 1.0 1.00 1.02 0.46) = 4.749% kept T HB3 TYR 81 - HD3 LYS+ 56 14.286% * 1.2560% (0.92 1.0 10.00 0.02 1.05) = 1.256% kept HB3 ASN 75 - HD3 LYS+ 56 14.286% * 0.3314% (0.56 1.0 1.00 0.09 0.52) = 0.331% HG3 MET 1 - HD3 LYS+ 56 14.286% * 0.1220% (0.89 1.0 1.00 0.02 0.02) = 0.122% HB3 PHE 13 - HD3 LYS+ 56 14.286% * 0.0610% (0.45 1.0 1.00 0.02 6.30) = 0.061% QB PHE 62 - HD3 LYS+ 56 14.286% * 0.0210% (0.15 1.0 1.00 0.02 0.85) = 0.021% Peak 2543 (0.78, 1.29, 29.57 ppm): 6 chemical-shift based assignments, quality = 0.459, support = 2.43, residual support = 8.06: QG2 VAL 71 - HD2 LYS+ 56 16.667% * 36.5286% (0.61 2.78 8.56) = 36.529% kept QG2 VAL 61 - HD2 LYS+ 56 16.667% * 24.6473% (0.34 3.33 14.84) = 24.647% kept QG2 ILE 96 - HD2 LYS+ 56 16.667% * 20.9338% (0.52 1.84 1.39) = 20.934% kept HG LEU 22 - HD2 LYS+ 56 16.667% * 6.3304% (0.28 1.05 5.47) = 6.330% kept HB2 LEU 76 - HD2 LYS+ 56 16.667% * 5.9860% (0.31 0.89 7.42) = 5.986% kept QD1 LEU 43 - HD2 LYS+ 56 16.667% * 5.5739% (0.15 1.67 3.51) = 5.574% kept Peak 2544 (0.98, 1.29, 29.57 ppm): 8 chemical-shift based assignments, quality = 0.441, support = 3.76, residual support = 90.7: O T HG3 LYS+ 56 - HD2 LYS+ 56 12.500% * 55.6205% (0.34 10.0 10.00 5.91 160.79) = 55.620% kept T QD2 LEU 82 - HD2 LYS+ 56 12.500% * 16.3675% (0.22 1.0 10.00 0.90 0.72) = 16.368% kept HG LEU 76 - HD2 LYS+ 56 12.500% * 11.0208% (0.80 1.0 1.00 1.69 7.42) = 11.021% kept QG2 THR 64 - HD2 LYS+ 56 12.500% * 7.2770% (0.98 1.0 1.00 0.91 3.30) = 7.277% kept QD1 ILE 38 - HD2 LYS+ 56 12.500% * 4.2717% (0.61 1.0 1.00 0.86 1.10) = 4.272% kept QG2 ILE 14 - HD2 LYS+ 56 12.500% * 2.8651% (0.37 1.0 1.00 0.94 2.54) = 2.865% kept QG1 VAL 40 - HD2 LYS+ 56 12.500% * 2.4200% (0.80 1.0 1.00 0.37 0.02) = 2.420% kept QG2 ILE 85 - HD2 LYS+ 56 12.500% * 0.1574% (0.96 1.0 1.00 0.02 0.02) = 0.157% Peak 2545 (1.18, 1.29, 29.57 ppm): 6 chemical-shift based assignments, quality = 0.907, support = 4.47, residual support = 157.9: O T HD3 LYS+ 56 - HD2 LYS+ 56 16.667% * 98.1696% (0.92 10.0 10.00 4.52 160.79) = 98.170% kept QE MET 54 - HD2 LYS+ 56 16.667% * 1.6062% (0.17 1.0 1.00 1.72 1.61) = 1.606% kept HB3 LEU 43 - HD2 LYS+ 56 16.667% * 0.0688% (0.65 1.0 1.00 0.02 3.51) = 0.069% QG2 THR 4 - HD2 LYS+ 56 16.667% * 0.0560% (0.52 1.0 1.00 0.02 0.02) = 0.056% QG2 THR 39 - HD2 LYS+ 56 16.667% * 0.0518% (0.49 1.0 1.00 0.02 0.02) = 0.052% HG3 ARG+ 48 - HD2 LYS+ 56 16.667% * 0.0477% (0.45 1.0 1.00 0.02 0.02) = 0.048% Peak 2546 (1.64, 1.29, 29.57 ppm): 6 chemical-shift based assignments, quality = 0.668, support = 5.37, residual support = 152.4: O HB2 LYS+ 56 - HD2 LYS+ 56 16.667% * 94.7385% (0.69 10.0 5.62 160.79) = 94.738% kept HB ILE 96 - HD2 LYS+ 56 16.667% * 2.5355% (0.31 1.0 1.19 1.39) = 2.536% kept HG LEU 43 - HD2 LYS+ 56 16.667% * 1.6115% (0.45 1.0 0.52 3.51) = 1.612% kept QB PRO 12 - HD2 LYS+ 56 16.667% * 1.0330% (0.37 1.0 0.40 0.02) = 1.033% kept HB VAL 94 - HD2 LYS+ 56 16.667% * 0.0470% (0.34 1.0 0.02 0.02) = 0.047% QD LYS+ 11 - HD2 LYS+ 56 16.667% * 0.0344% (0.25 1.0 0.02 0.76) = 0.034% Peak 2547 (2.37, 1.29, 29.57 ppm): 3 chemical-shift based assignments, quality = 0.564, support = 4.54, residual support = 160.6: O HE3 LYS+ 56 - HD2 LYS+ 56 33.333% * 99.8652% (0.56 10.0 4.54 160.79) = 99.865% kept HG3 GLU- 68 - HD2 LYS+ 56 33.333% * 0.0999% (0.56 1.0 0.02 0.02) = 0.100% HB3 ASP- 89 - HD2 LYS+ 56 33.333% * 0.0349% (0.20 1.0 0.02 0.02) = 0.035% Peak 2548 (2.55, 1.29, 29.57 ppm): 7 chemical-shift based assignments, quality = 0.677, support = 5.2, residual support = 143.5: O HE2 LYS+ 56 - HD2 LYS+ 56 14.286% * 89.1269% (0.69 10.0 5.69 160.79) = 89.127% kept HB3 ASP- 41 - HD2 LYS+ 56 14.286% * 6.6972% (0.69 1.0 1.50 0.46) = 6.697% kept HB3 ASN 75 - HD2 LYS+ 56 14.286% * 2.0936% (0.56 1.0 0.57 0.52) = 2.094% kept HB3 PHE 13 - HD2 LYS+ 56 14.286% * 1.8261% (0.45 1.0 0.63 6.30) = 1.826% kept HB3 TYR 81 - HD2 LYS+ 56 14.286% * 0.1198% (0.92 1.0 0.02 1.05) = 0.120% HG3 MET 1 - HD2 LYS+ 56 14.286% * 0.1164% (0.89 1.0 0.02 0.02) = 0.116% QB PHE 62 - HD2 LYS+ 56 14.286% * 0.0200% (0.15 1.0 0.02 0.85) = 0.020% Peak 2549 (2.36, 2.57, 41.87 ppm): 6 chemical-shift based assignments, quality = 0.276, support = 4.38, residual support = 122.9: O T HE3 LYS+ 56 - HE2 LYS+ 56 16.667% * 75.8065% (0.31 10.0 10.00 4.89 160.79) = 75.807% kept HB2 PRO 33 - HE2 LYS+ 56 16.667% * 13.5414% (0.25 1.0 1.00 4.42 6.37) = 13.541% kept T HE3 LYS+ 56 - HB3 TYR 81 16.667% * 9.5455% (0.11 1.0 10.00 0.73 1.05) = 9.545% kept HB2 PRO 33 - HB3 TYR 81 16.667% * 1.0046% (0.09 1.0 1.00 0.95 0.26) = 1.005% kept HG3 GLU- 68 - HE2 LYS+ 56 16.667% * 0.0758% (0.31 1.0 1.00 0.02 0.02) = 0.076% HG3 GLU- 68 - HB3 TYR 81 16.667% * 0.0262% (0.11 1.0 1.00 0.02 0.02) = 0.026% Peak 2550 (0.78, 2.57, 41.87 ppm): 12 chemical-shift based assignments, quality = 0.326, support = 2.4, residual support = 9.93: T QG2 VAL 61 - HE2 LYS+ 56 8.333% * 51.1838% (0.34 10.00 2.37 14.84) = 51.184% kept T QD1 LEU 43 - HE2 LYS+ 56 8.333% * 23.1522% (0.15 10.00 2.93 3.51) = 23.152% kept QG2 VAL 71 - HE2 LYS+ 56 8.333% * 13.2976% (0.60 1.00 2.92 8.56) = 13.298% kept QG2 ILE 96 - HE2 LYS+ 56 8.333% * 4.2475% (0.52 1.00 1.08 1.39) = 4.248% kept HB2 LEU 76 - HE2 LYS+ 56 8.333% * 3.8282% (0.31 1.00 1.65 7.42) = 3.828% kept T QG2 VAL 61 - HB3 TYR 81 8.333% * 3.1240% (0.12 10.00 0.35 1.32) = 3.124% kept QG2 VAL 71 - HB3 TYR 81 8.333% * 0.5218% (0.21 1.00 0.33 0.02) = 0.522% HG LEU 22 - HE2 LYS+ 56 8.333% * 0.5071% (0.28 1.00 0.24 5.47) = 0.507% T QD1 LEU 43 - HB3 TYR 81 8.333% * 0.0800% (0.05 10.00 0.02 1.75) = 0.080% QG2 ILE 96 - HB3 TYR 81 8.333% * 0.0273% (0.18 1.00 0.02 0.02) = 0.027% HB2 LEU 76 - HB3 TYR 81 8.333% * 0.0160% (0.11 1.00 0.02 1.37) = 0.016% HG LEU 22 - HB3 TYR 81 8.333% * 0.0144% (0.10 1.00 0.02 0.02) = 0.014% Peak 2551 (0.99, 2.57, 41.87 ppm): 14 chemical-shift based assignments, quality = 0.5, support = 4.05, residual support = 85.1: O T HG3 LYS+ 56 - HE2 LYS+ 56 7.143% * 51.5925% (0.15 10.0 10.00 6.88 160.79) = 51.593% kept HG LEU 76 - HE2 LYS+ 56 7.143% * 24.4513% (0.97 1.0 1.00 1.49 7.42) = 24.451% kept QD1 ILE 38 - HE2 LYS+ 56 7.143% * 12.0014% (0.86 1.0 1.00 0.83 1.10) = 12.001% kept QG2 THR 64 - HE2 LYS+ 56 7.143% * 4.5897% (0.96 1.0 1.00 0.28 3.30) = 4.590% kept QG1 VAL 40 - HE2 LYS+ 56 7.143% * 3.3601% (0.97 1.0 1.00 0.21 0.02) = 3.360% kept QG2 ILE 14 - HE2 LYS+ 56 7.143% * 2.3628% (0.17 1.0 1.00 0.81 2.54) = 2.363% kept T HG3 LYS+ 56 - HB3 TYR 81 7.143% * 0.8396% (0.05 1.0 10.00 0.09 1.05) = 0.840% QG2 ILE 85 - HE2 LYS+ 56 7.143% * 0.2555% (0.76 1.0 1.00 0.02 0.02) = 0.256% HG LEU 76 - HB3 TYR 81 7.143% * 0.1133% (0.34 1.0 1.00 0.02 1.37) = 0.113% QG1 VAL 40 - HB3 TYR 81 7.143% * 0.1133% (0.34 1.0 1.00 0.02 0.02) = 0.113% QG2 THR 64 - HB3 TYR 81 7.143% * 0.1116% (0.33 1.0 1.00 0.02 3.02) = 0.112% QD1 ILE 38 - HB3 TYR 81 7.143% * 0.1003% (0.30 1.0 1.00 0.02 0.02) = 0.100% QG2 ILE 85 - HB3 TYR 81 7.143% * 0.0883% (0.26 1.0 1.00 0.02 0.02) = 0.088% QG2 ILE 14 - HB3 TYR 81 7.143% * 0.0202% (0.06 1.0 1.00 0.02 0.42) = 0.020% Peak 2552 (1.20, 2.57, 41.87 ppm): 14 chemical-shift based assignments, quality = 0.658, support = 2.79, residual support = 66.8: T QE MET 54 - HE2 LYS+ 56 7.143% * 47.6519% (0.99 1.0 10.00 0.87 1.61) = 47.652% kept O T HD3 LYS+ 56 - HE2 LYS+ 56 7.143% * 41.0878% (0.37 10.0 10.00 5.69 160.79) = 41.088% kept T QE MET 54 - HB3 TYR 81 7.143% * 6.2260% (0.34 1.0 10.00 0.33 0.02) = 6.226% kept HB3 LEU 42 - HE2 LYS+ 56 7.143% * 2.4655% (0.52 1.0 1.00 0.86 0.55) = 2.466% kept QG2 THR 39 - HE2 LYS+ 56 7.143% * 0.8036% (0.83 1.0 1.00 0.18 0.02) = 0.804% HB3 LEU 42 - HB3 TYR 81 7.143% * 0.7580% (0.18 1.0 1.00 0.76 0.34) = 0.758% QG2 THR 4 - HE2 LYS+ 56 7.143% * 0.6169% (0.79 1.0 1.00 0.14 0.02) = 0.617% T HD3 LYS+ 56 - HB3 TYR 81 7.143% * 0.1420% (0.13 1.0 10.00 0.02 1.05) = 0.142% HG3 GLU- 23 - HE2 LYS+ 56 7.143% * 0.1011% (0.91 1.0 1.00 0.02 0.02) = 0.101% QG1 VAL 65 - HE2 LYS+ 56 7.143% * 0.0373% (0.34 1.0 1.00 0.02 0.02) = 0.037% HG3 GLU- 23 - HB3 TYR 81 7.143% * 0.0349% (0.32 1.0 1.00 0.02 0.02) = 0.035% QG2 THR 39 - HB3 TYR 81 7.143% * 0.0316% (0.29 1.0 1.00 0.02 0.71) = 0.032% QG2 THR 4 - HB3 TYR 81 7.143% * 0.0303% (0.27 1.0 1.00 0.02 3.91) = 0.030% QG1 VAL 65 - HB3 TYR 81 7.143% * 0.0129% (0.12 1.0 1.00 0.02 1.39) = 0.013% Peak 2553 (1.65, 2.57, 41.87 ppm): 16 chemical-shift based assignments, quality = 0.783, support = 5.35, residual support = 126.6: HB2 LYS+ 56 - HE2 LYS+ 56 6.250% * 78.4434% (0.91 6.37 160.79) = 78.443% kept HG LEU 43 - HE2 LYS+ 56 6.250% * 8.4482% (0.22 2.85 3.51) = 8.448% kept HB2 LEU 43 - HE2 LYS+ 56 6.250% * 4.8446% (0.31 1.18 3.51) = 4.845% kept QB PRO 12 - HE2 LYS+ 56 6.250% * 4.5120% (0.64 0.52 0.02) = 4.512% kept HB2 LEU 43 - HB3 TYR 81 6.250% * 1.4299% (0.11 1.01 1.75) = 1.430% kept HG LEU 43 - HB3 TYR 81 6.250% * 1.3244% (0.08 1.29 1.75) = 1.324% kept QD LYS+ 11 - HE2 LYS+ 56 6.250% * 0.6042% (0.48 0.09 0.76) = 0.604% HB2 LYS+ 56 - HB3 TYR 81 6.250% * 0.0851% (0.32 0.02 1.05) = 0.085% QD LYS+ 17 - HE2 LYS+ 56 6.250% * 0.0742% (0.28 0.02 0.02) = 0.074% QB PRO 12 - HB3 TYR 81 6.250% * 0.0596% (0.22 0.02 0.02) = 0.060% QD LYS+ 11 - HB3 TYR 81 6.250% * 0.0449% (0.17 0.02 0.02) = 0.045% HB VAL 94 - HE2 LYS+ 56 6.250% * 0.0411% (0.15 0.02 0.02) = 0.041% HB ILE 96 - HE2 LYS+ 56 6.250% * 0.0361% (0.13 0.02 1.39) = 0.036% QD LYS+ 17 - HB3 TYR 81 6.250% * 0.0256% (0.10 0.02 0.02) = 0.026% HB VAL 94 - HB3 TYR 81 6.250% * 0.0142% (0.05 0.02 0.58) = 0.014% HB ILE 96 - HB3 TYR 81 6.250% * 0.0125% (0.05 0.02 0.02) = 0.012% Peak 2554 (4.25, 2.57, 41.87 ppm): 8 chemical-shift based assignments, quality = 0.825, support = 1.52, residual support = 4.86: T HA PHE 13 - HE2 LYS+ 56 12.500% * 65.6841% (0.98 10.00 1.47 6.30) = 65.684% kept T HA PHE 13 - HB3 TYR 81 12.500% * 11.6183% (0.34 10.00 0.75 0.02) = 11.618% kept HD2 PRO 33 - HE2 LYS+ 56 12.500% * 10.7971% (0.72 1.00 3.30 6.37) = 10.797% kept HA ASN 75 - HE2 LYS+ 56 12.500% * 4.1624% (0.60 1.00 1.52 0.52) = 4.162% kept T HA ASN 75 - HB3 TYR 81 12.500% * 3.6324% (0.21 10.00 0.38 0.02) = 3.632% kept HA GLU- 59 - HE2 LYS+ 56 12.500% * 2.8548% (0.94 1.00 0.67 0.02) = 2.855% kept HD2 PRO 33 - HB3 TYR 81 12.500% * 1.1225% (0.25 1.00 0.99 0.26) = 1.122% kept HA GLU- 59 - HB3 TYR 81 12.500% * 0.1285% (0.32 1.00 0.09 0.13) = 0.129% Peak 2555 (4.79, 2.57, 41.87 ppm): 4 chemical-shift based assignments, quality = 0.353, support = 1.13, residual support = 3.83: T HA TYR 81 - HE2 LYS+ 56 25.000% * 46.2632% (0.37 1.0 10.00 0.89 1.05) = 46.263% kept O T HA TYR 81 - HB3 TYR 81 25.000% * 36.0805% (0.13 10.0 10.00 1.50 7.68) = 36.080% kept HA THR 64 - HE2 LYS+ 56 25.000% * 12.5478% (0.94 1.0 1.00 0.95 3.30) = 12.548% kept HA THR 64 - HB3 TYR 81 25.000% * 5.1085% (0.32 1.0 1.00 1.12 3.02) = 5.109% kept Peak 2556 (0.78, 2.38, 41.87 ppm): 6 chemical-shift based assignments, quality = 0.385, support = 2.42, residual support = 12.3: T QG2 VAL 61 - HE3 LYS+ 56 16.667% * 69.4626% (0.34 10.00 2.37 14.84) = 69.463% kept QG2 VAL 71 - HE3 LYS+ 56 16.667% * 18.1757% (0.61 1.00 2.94 8.56) = 18.176% kept QD1 LEU 43 - HE3 LYS+ 56 16.667% * 5.4350% (0.15 1.00 3.46 3.51) = 5.435% kept QG2 ILE 96 - HE3 LYS+ 56 16.667% * 4.1274% (0.52 1.00 0.77 1.39) = 4.127% kept HG LEU 22 - HE3 LYS+ 56 16.667% * 1.4013% (0.28 1.00 0.49 5.47) = 1.401% kept HB2 LEU 76 - HE3 LYS+ 56 16.667% * 1.3981% (0.31 1.00 0.44 7.42) = 1.398% kept Peak 2557 (0.99, 2.38, 41.87 ppm): 7 chemical-shift based assignments, quality = 0.477, support = 3.63, residual support = 91.2: O T HG3 LYS+ 56 - HE3 LYS+ 56 14.286% * 55.8978% (0.15 10.0 10.00 5.84 160.79) = 55.898% kept QG2 THR 64 - HE3 LYS+ 56 14.286% * 20.8359% (0.96 1.0 1.00 1.19 3.30) = 20.836% kept QD1 ILE 38 - HE3 LYS+ 56 14.286% * 9.7531% (0.87 1.0 1.00 0.62 1.10) = 9.753% kept HG LEU 76 - HE3 LYS+ 56 14.286% * 6.7095% (0.98 1.0 1.00 0.38 7.42) = 6.710% kept QG1 VAL 40 - HE3 LYS+ 56 14.286% * 3.5876% (0.98 1.0 1.00 0.20 0.02) = 3.588% kept QG2 ILE 14 - HE3 LYS+ 56 14.286% * 2.9392% (0.17 1.0 1.00 0.93 2.54) = 2.939% kept QG2 ILE 85 - HE3 LYS+ 56 14.286% * 0.2769% (0.76 1.0 1.00 0.02 0.02) = 0.277% Peak 2558 (1.21, 2.38, 41.87 ppm): 8 chemical-shift based assignments, quality = 0.403, support = 3.72, residual support = 112.7: O T HD3 LYS+ 56 - HE3 LYS+ 56 12.500% * 50.9373% (0.20 10.0 10.00 4.54 160.79) = 50.937% kept HB3 LYS+ 56 - HE3 LYS+ 56 12.500% * 18.9476% (0.25 1.0 1.00 5.90 160.79) = 18.948% kept QE MET 54 - HE3 LYS+ 56 12.500% * 15.5747% (0.94 1.0 1.00 1.28 1.61) = 15.575% kept HB3 LEU 42 - HE3 LYS+ 56 12.500% * 8.9976% (0.76 1.0 1.00 0.91 0.55) = 8.998% kept HG3 GLU- 23 - HE3 LYS+ 56 12.500% * 1.7027% (1.00 1.0 1.00 0.13 0.02) = 1.703% kept QG1 VAL 65 - HE3 LYS+ 56 12.500% * 1.4426% (0.56 1.0 1.00 0.20 0.02) = 1.443% kept QG2 THR 39 - HE3 LYS+ 56 12.500% * 1.3719% (0.61 1.0 1.00 0.18 0.02) = 1.372% kept QG2 THR 4 - HE3 LYS+ 56 12.500% * 1.0255% (0.56 1.0 1.00 0.14 0.02) = 1.025% kept Peak 2559 (1.62, 2.38, 41.87 ppm): 5 chemical-shift based assignments, quality = 0.867, support = 0.287, residual support = 1.8: HB ILE 96 - HE3 LYS+ 56 20.000% * 49.9873% (0.98 0.33 1.39) = 49.987% kept HG LEU 43 - HE3 LYS+ 56 20.000% * 30.9341% (1.00 0.20 3.51) = 30.934% kept QG LYS+ 80 - HE3 LYS+ 56 20.000% * 14.4854% (0.22 0.42 0.15) = 14.485% kept HB VAL 94 - HE3 LYS+ 56 20.000% * 3.0804% (0.99 0.02 0.02) = 3.080% kept QB LEU 26 - HE3 LYS+ 56 20.000% * 1.5128% (0.49 0.02 0.02) = 1.513% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2561 (2.56, 2.38, 41.87 ppm): 6 chemical-shift based assignments, quality = 0.921, support = 3.57, residual support = 110.2: O T HE2 LYS+ 56 - HE3 LYS+ 56 16.667% * 68.2341% (0.92 10.0 10.00 4.89 160.79) = 68.234% kept T HB3 TYR 81 - HE3 LYS+ 56 16.667% * 26.8651% (1.00 1.0 10.00 0.73 1.05) = 26.865% kept HB3 PHE 13 - HE3 LYS+ 56 16.667% * 2.3552% (0.72 1.0 1.00 0.88 6.30) = 2.355% kept HB3 ASP- 41 - HE3 LYS+ 56 16.667% * 1.8301% (0.41 1.0 1.00 1.20 0.46) = 1.830% kept HB3 ASN 75 - HE3 LYS+ 56 16.667% * 0.6417% (0.31 1.0 1.00 0.56 0.52) = 0.642% HG3 MET 1 - HE3 LYS+ 56 16.667% * 0.0739% (1.00 1.0 1.00 0.02 0.02) = 0.074% Peak 2562 (4.25, 2.38, 41.87 ppm): 4 chemical-shift based assignments, quality = 0.84, support = 1.23, residual support = 4.91: HA PHE 13 - HE3 LYS+ 56 25.000% * 52.9029% (0.96 1.54 6.30) = 52.903% kept HD2 PRO 33 - HE3 LYS+ 56 25.000% * 23.7562% (0.49 1.37 6.37) = 23.756% kept HA GLU- 59 - HE3 LYS+ 56 25.000% * 12.7955% (1.00 0.36 0.02) = 12.796% kept HA ASN 75 - HE3 LYS+ 56 25.000% * 10.5453% (0.83 0.36 0.52) = 10.545% kept Peak 2563 (4.79, 2.38, 41.87 ppm): 2 chemical-shift based assignments, quality = 0.627, support = 0.448, residual support = 2.05: HA TYR 81 - HE3 LYS+ 56 50.000% * 55.5860% (0.37 0.64 1.05) = 55.586% kept HA THR 64 - HE3 LYS+ 56 50.000% * 44.4140% (0.94 0.20 3.30) = 44.414% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2564 (4.79, 4.02, 47.17 ppm): 2 chemical-shift based assignments, quality = 0.783, support = 0.725, residual support = 0.847: HA THR 64 - HA1 GLY 58 50.000% * 74.2745% (0.93 0.75 1.01) = 74.274% kept HA TYR 81 - HA1 GLY 58 50.000% * 25.7255% (0.37 0.65 0.39) = 25.726% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2565 (4.79, 3.64, 47.17 ppm): 3 chemical-shift based assignments, quality = 0.678, support = 0.669, residual support = 0.759: HA THR 64 - HA2 GLY 58 33.333% * 60.1355% (0.71 0.75 1.01) = 60.135% kept HA TYR 81 - HA2 GLY 58 33.333% * 39.4778% (0.63 0.55 0.39) = 39.478% kept HA TRP 50 - HA2 GLY 58 33.333% * 0.3868% (0.17 0.02 0.02) = 0.387% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2566 (6.95, 2.38, 41.87 ppm): 1 chemical-shift based assignment, quality = 0.486, support = 1.34, residual support = 2.42: HN PHE 70 - HE3 LYS+ 56 100.000% *100.0000% (0.49 1.34 2.42) = 100.000% kept Peak 2567 (7.28, 2.38, 41.87 ppm): 2 chemical-shift based assignments, quality = 0.447, support = 1.58, residual support = 2.51: HN ILE 14 - HE3 LYS+ 56 50.000% * 98.7685% (0.45 1.60 2.54) = 98.769% kept HN SER 49 - HE3 LYS+ 56 50.000% * 1.2315% (0.45 0.02 0.02) = 1.231% kept Peak 2568 (6.94, 2.57, 41.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2570 (9.22, 2.57, 41.87 ppm): 4 chemical-shift based assignments, quality = 0.825, support = 2.93, residual support = 9.09: HN ARG+ 57 - HE2 LYS+ 56 25.000% * 75.6572% (0.91 3.47 11.41) = 75.657% kept HN GLY 58 - HE2 LYS+ 56 25.000% * 20.1522% (0.60 1.41 2.21) = 20.152% kept HN ARG+ 57 - HB3 TYR 81 25.000% * 2.7610% (0.32 0.37 0.02) = 2.761% kept HN GLY 58 - HB3 TYR 81 25.000% * 1.4296% (0.21 0.29 0.39) = 1.430% kept Peak 2571 (8.74, 2.57, 41.87 ppm): 12 chemical-shift based assignments, quality = 0.68, support = 2.17, residual support = 25.1: HN PHE 13 - HE2 LYS+ 56 8.333% * 28.0900% (0.97 2.74 6.30) = 28.090% kept HN MET 10 - HE2 LYS+ 56 8.333% * 13.7520% (0.99 1.32 3.71) = 13.752% kept HN LYS+ 56 - HE2 LYS+ 56 8.333% * 13.6629% (0.31 4.23 160.79) = 13.663% kept HN GLY 27 - HE2 LYS+ 56 8.333% * 11.7702% (0.99 1.13 0.89) = 11.770% kept HN THR 64 - HE2 LYS+ 56 8.333% * 7.0102% (0.34 1.97 3.30) = 7.010% kept HN LEU 82 - HE2 LYS+ 56 8.333% * 6.5036% (0.60 1.03 0.72) = 6.504% kept HN LEU 82 - HB3 TYR 81 8.333% * 6.1015% (0.21 2.78 6.52) = 6.102% kept HN PHE 13 - HB3 TYR 81 8.333% * 3.4796% (0.34 0.98 0.02) = 3.480% kept HN GLY 27 - HB3 TYR 81 8.333% * 3.3753% (0.34 0.94 0.32) = 3.375% kept HN MET 10 - HB3 TYR 81 8.333% * 3.3484% (0.34 0.93 0.13) = 3.348% kept HN THR 64 - HB3 TYR 81 8.333% * 2.0695% (0.12 1.68 3.02) = 2.069% kept HN LYS+ 56 - HB3 TYR 81 8.333% * 0.8368% (0.11 0.75 1.05) = 0.837% Peak 2572 (7.33, 2.57, 41.87 ppm): 4 chemical-shift based assignments, quality = 0.509, support = 0.0906, residual support = 0.0686: HE21 GLN 83 - HB3 TYR 81 25.000% * 49.9856% (0.25 0.16 0.02) = 49.986% kept HD21 ASN 29 - HE2 LYS+ 56 25.000% * 23.8377% (0.96 0.02 0.16) = 23.838% kept HE21 GLN 83 - HE2 LYS+ 56 25.000% * 17.9363% (0.72 0.02 0.11) = 17.936% kept HD21 ASN 29 - HB3 TYR 81 25.000% * 8.2404% (0.33 0.02 0.02) = 8.240% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2573 (9.15, 4.02, 47.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2574 (7.50, 3.64, 47.17 ppm): 4 chemical-shift based assignments, quality = 0.824, support = 2.8, residual support = 6.72: HN LYS+ 60 - HA2 GLY 58 25.000% * 74.6150% (0.88 3.41 8.81) = 74.615% kept HN THR 39 - HA2 GLY 58 25.000% * 20.3921% (0.71 1.15 0.71) = 20.392% kept HN TYR 31 - HA2 GLY 58 25.000% * 4.8963% (0.48 0.41 0.02) = 4.896% kept HN LEU 76 - HA2 GLY 58 25.000% * 0.0965% (0.19 0.02 0.02) = 0.097% Peak 2575 (9.15, 3.64, 47.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2577 (7.50, 4.25, 56.70 ppm): 3 chemical-shift based assignments, quality = 0.618, support = 5.42, residual support = 23.7: O HN LYS+ 60 - HA GLU- 59 33.333% * 92.1772% (0.63 10.0 5.69 25.37) = 92.177% kept HN THR 39 - HA GLU- 59 33.333% * 7.5128% (0.44 1.0 2.35 3.61) = 7.513% kept HN TYR 31 - HA GLU- 59 33.333% * 0.3100% (0.24 1.0 0.17 0.02) = 0.310% Peak 2578 (7.51, 2.17, 30.64 ppm): 2 chemical-shift based assignments, quality = 0.341, support = 4.6, residual support = 21.5: HN LYS+ 60 - HB2 GLU- 59 50.000% * 82.3103% (0.37 5.19 25.37) = 82.310% kept HN THR 39 - HB2 GLU- 59 50.000% * 17.6897% (0.22 1.88 3.61) = 17.690% kept Peak 2579 (7.50, 1.90, 30.64 ppm): 3 chemical-shift based assignments, quality = 0.582, support = 4.38, residual support = 20.2: HN LYS+ 60 - HB3 GLU- 59 33.333% * 76.9661% (0.63 5.19 25.37) = 76.966% kept HN THR 39 - HB3 GLU- 59 33.333% * 19.1825% (0.44 1.87 3.61) = 19.182% kept HN TYR 31 - HB3 GLU- 59 33.333% * 3.8515% (0.24 0.67 0.02) = 3.851% kept Peak 2580 (7.53, 2.32, 36.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2582 (9.14, 1.90, 30.64 ppm): 1 chemical-shift based assignment, quality = 0.194, support = 0.112, residual support = 0.112: HN VAL 40 - HB3 GLU- 59 100.000% *100.0000% (0.19 0.11 0.11) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2583 (4.24, 2.32, 36.36 ppm): 8 chemical-shift based assignments, quality = 0.784, support = 1.53, residual support = 23.7: O HA GLU- 59 - QG GLU- 59 12.500% * 82.0160% (0.76 10.0 1.00 1.79 28.92) = 82.016% kept T HD2 PRO 33 - QG GLU- 59 12.500% * 17.8205% (0.91 1.0 10.00 0.32 0.11) = 17.821% kept HA PHE 13 - QG GLU- 59 12.500% * 0.1039% (0.86 1.0 1.00 0.02 0.02) = 0.104% HA ASN 75 - QG GLU- 59 12.500% * 0.0449% (0.37 1.0 1.00 0.02 0.02) = 0.045% HD2 PRO 33 - QG GLU- 16 12.500% * 0.0046% (0.04 1.0 1.00 0.02 0.02) = 0.005% HA PHE 13 - QG GLU- 16 12.500% * 0.0044% (0.04 1.0 1.00 0.02 0.15) = 0.004% HA GLU- 59 - QG GLU- 16 12.500% * 0.0038% (0.03 1.0 1.00 0.02 0.02) = 0.004% HA ASN 75 - QG GLU- 16 12.500% * 0.0019% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 2584 (9.15, 2.17, 30.64 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2585 (9.15, 4.25, 56.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2586 (0.90, 2.32, 36.36 ppm): 6 chemical-shift based assignments, quality = 0.578, support = 1.75, residual support = 4.93: QD1 LEU 26 - QG GLU- 59 16.667% * 34.8088% (0.48 1.00 2.31 3.93) = 34.809% kept QD2 LEU 26 - QG GLU- 59 16.667% * 25.5649% (0.96 1.00 0.85 3.93) = 25.565% kept QD1 ILE 85 - QG GLU- 59 16.667% * 25.2425% (0.64 1.00 1.26 2.09) = 25.242% kept T QD1 LEU 26 - QG GLU- 16 16.667% * 12.6425% (0.02 10.00 3.02 14.14) = 12.642% kept QD2 LEU 26 - QG GLU- 16 16.667% * 1.7246% (0.04 1.00 1.38 14.14) = 1.725% kept QD1 ILE 85 - QG GLU- 16 16.667% * 0.0168% (0.03 1.00 0.02 0.02) = 0.017% Peak 2587 (0.90, 1.90, 30.64 ppm): 3 chemical-shift based assignments, quality = 0.774, support = 1.96, residual support = 3.47: QD2 LEU 26 - HB3 GLU- 59 33.333% * 55.0454% (0.95 2.28 3.93) = 55.045% kept QD1 ILE 85 - HB3 GLU- 59 33.333% * 24.8929% (0.63 1.54 2.09) = 24.893% kept QD1 LEU 26 - HB3 GLU- 59 33.333% * 20.0617% (0.48 1.64 3.93) = 20.062% kept Peak 2588 (0.90, 2.17, 30.64 ppm): 4 chemical-shift based assignments, quality = 0.743, support = 1.93, residual support = 2.73: T QD1 ILE 85 - HB2 GLU- 59 25.000% * 64.9132% (0.88 10.00 1.58 2.09) = 64.913% kept T QD1 LEU 26 - HB2 GLU- 59 25.000% * 22.8147% (0.24 10.00 2.51 3.93) = 22.815% kept QD2 LEU 26 - HB2 GLU- 59 25.000% * 12.1119% (0.96 1.00 2.70 3.93) = 12.112% kept T QD1 ILE 95 - HB2 GLU- 59 25.000% * 0.1602% (0.17 10.00 0.02 0.02) = 0.160% Peak 2589 (0.82, 4.25, 56.70 ppm): 6 chemical-shift based assignments, quality = 0.554, support = 0.193, residual support = 0.214: QG2 VAL 61 - HA GLU- 59 16.667% * 57.7055% (0.48 0.29 0.25) = 57.706% kept QD1 ILE 14 - HA GLU- 59 16.667% * 22.9206% (0.63 0.09 0.29) = 22.921% kept HG13 ILE 24 - HA GLU- 59 16.667% * 8.0275% (0.97 0.02 0.02) = 8.028% kept HG LEU 22 - HA GLU- 59 16.667% * 4.5854% (0.55 0.02 0.02) = 4.585% kept HB2 LEU 76 - HA GLU- 59 16.667% * 4.2612% (0.52 0.02 0.02) = 4.261% kept QG2 ILE 96 - HA GLU- 59 16.667% * 2.4998% (0.30 0.02 0.02) = 2.500% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2590 (4.50, 1.34, 26.33 ppm): 18 chemical-shift based assignments, quality = 0.881, support = 3.13, residual support = 59.3: O HA LYS+ 60 - QG LYS+ 60 5.556% * 93.7536% (0.92 10.0 3.20 62.55) = 93.754% kept HA VAL 61 - QG LYS+ 60 5.556% * 4.1371% (0.28 1.0 2.93 16.15) = 4.137% kept HB2 SER 18 - QG LYS+ 60 5.556% * 1.5277% (0.41 1.0 0.73 0.83) = 1.528% kept HA VAL 7 - QG LYS+ 60 5.556% * 0.1016% (1.00 1.0 0.02 0.02) = 0.102% HA MET 1 - QG LYS+ 60 5.556% * 0.0996% (0.98 1.0 0.02 0.02) = 0.100% HA ASN 74 - QG LYS+ 60 5.556% * 0.0737% (0.72 1.0 0.02 0.02) = 0.074% HA ASN 69 - QG LYS+ 60 5.556% * 0.0698% (0.69 1.0 0.02 0.02) = 0.070% HA ASN 100 - QG LYS+ 60 5.556% * 0.0698% (0.69 1.0 0.02 1.01) = 0.070% HA VAL 7 - HG LEU 63 5.556% * 0.0259% (0.25 1.0 0.02 0.61) = 0.026% HA MET 1 - HG LEU 63 5.556% * 0.0254% (0.25 1.0 0.02 0.02) = 0.025% HA LYS+ 60 - HG LEU 63 5.556% * 0.0239% (0.24 1.0 0.02 0.78) = 0.024% HA ASN 74 - HG LEU 63 5.556% * 0.0188% (0.18 1.0 0.02 0.02) = 0.019% HA ASN 100 - HG LEU 63 5.556% * 0.0178% (0.17 1.0 0.02 0.02) = 0.018% HA ASN 69 - HG LEU 63 5.556% * 0.0178% (0.17 1.0 0.02 0.02) = 0.018% HA LEU 22 - QG LYS+ 60 5.556% * 0.0157% (0.15 1.0 0.02 0.02) = 0.016% HB2 SER 18 - HG LEU 63 5.556% * 0.0107% (0.10 1.0 0.02 0.02) = 0.011% HA VAL 61 - HG LEU 63 5.556% * 0.0072% (0.07 1.0 0.02 2.42) = 0.007% HA LEU 22 - HG LEU 63 5.556% * 0.0040% (0.04 1.0 0.02 46.03) = 0.004% Peak 2591 (1.34, 1.41, 36.70 ppm): 5 chemical-shift based assignments, quality = 0.969, support = 3.14, residual support = 59.2: O QG LYS+ 60 - HB3 LYS+ 60 20.000% * 94.1686% (0.97 10.0 3.30 62.55) = 94.169% kept HG LEU 63 - HB3 LYS+ 60 20.000% * 3.0445% (0.99 1.0 0.64 0.78) = 3.044% kept HG12 ILE 14 - HB3 LYS+ 60 20.000% * 2.6565% (0.91 1.0 0.60 9.23) = 2.656% kept QB ALA 34 - HB3 LYS+ 60 20.000% * 0.0909% (0.94 1.0 0.02 0.02) = 0.091% QG LYS+ 55 - HB3 LYS+ 60 20.000% * 0.0395% (0.41 1.0 0.02 0.02) = 0.039% Peak 2592 (1.34, 1.93, 36.70 ppm): 5 chemical-shift based assignments, quality = 0.948, support = 3.14, residual support = 60.1: O T QG LYS+ 60 - HB2 LYS+ 60 20.000% * 95.5074% (0.96 10.0 10.00 3.26 62.55) = 95.507% kept HG12 ILE 14 - HB2 LYS+ 60 20.000% * 3.3882% (0.90 1.0 1.00 0.75 9.23) = 3.388% kept T HG LEU 63 - HB2 LYS+ 60 20.000% * 0.9722% (0.98 1.0 10.00 0.02 0.78) = 0.972% QB ALA 34 - HB2 LYS+ 60 20.000% * 0.0922% (0.93 1.0 1.00 0.02 0.02) = 0.092% QG LYS+ 55 - HB2 LYS+ 60 20.000% * 0.0401% (0.40 1.0 1.00 0.02 0.02) = 0.040% Peak 2593 (1.94, 1.34, 26.33 ppm): 16 chemical-shift based assignments, quality = 0.872, support = 2.71, residual support = 28.7: T QG PRO 37 - QG LYS+ 60 6.250% * 45.0201% (0.99 1.0 10.00 2.33 4.44) = 45.020% kept O T HB2 LYS+ 60 - QG LYS+ 60 6.250% * 41.9298% (0.92 10.0 10.00 3.26 62.55) = 41.930% kept T QG PRO 37 - HG LEU 63 6.250% * 11.4911% (0.25 1.0 10.00 2.47 4.31) = 11.491% kept HB3 GLU- 16 - QG LYS+ 60 6.250% * 1.2339% (0.92 1.0 1.00 0.59 0.14) = 1.234% kept T HB2 LYS+ 60 - HG LEU 63 6.250% * 0.1070% (0.24 1.0 10.00 0.02 0.78) = 0.107% HB3 TYR 31 - QG LYS+ 60 6.250% * 0.0450% (0.99 1.0 1.00 0.02 0.02) = 0.045% QB GLU- 6 - QG LYS+ 60 6.250% * 0.0430% (0.94 1.0 1.00 0.02 0.02) = 0.043% HB3 ARG+ 53 - QG LYS+ 60 6.250% * 0.0364% (0.80 1.0 1.00 0.02 0.02) = 0.036% HB VAL 71 - QG LYS+ 60 6.250% * 0.0221% (0.49 1.0 1.00 0.02 1.81) = 0.022% HB3 GLU- 77 - QG LYS+ 60 6.250% * 0.0187% (0.41 1.0 1.00 0.02 0.02) = 0.019% HB3 TYR 31 - HG LEU 63 6.250% * 0.0115% (0.25 1.0 1.00 0.02 0.02) = 0.011% QB GLU- 6 - HG LEU 63 6.250% * 0.0110% (0.24 1.0 1.00 0.02 0.02) = 0.011% HB3 GLU- 16 - HG LEU 63 6.250% * 0.0107% (0.24 1.0 1.00 0.02 1.15) = 0.011% HB3 ARG+ 53 - HG LEU 63 6.250% * 0.0093% (0.20 1.0 1.00 0.02 5.12) = 0.009% HB VAL 71 - HG LEU 63 6.250% * 0.0056% (0.12 1.0 1.00 0.02 0.02) = 0.006% HB3 GLU- 77 - HG LEU 63 6.250% * 0.0048% (0.10 1.0 1.00 0.02 0.02) = 0.005% Peak 2594 (7.24, 1.34, 26.33 ppm): 4 chemical-shift based assignments, quality = 0.331, support = 2.43, residual support = 7.36: HN ILE 14 - QG LYS+ 60 25.000% * 51.1984% (0.34 2.64 9.23) = 51.198% kept HN SER 49 - QG LYS+ 60 25.000% * 45.2181% (0.34 2.33 5.60) = 45.218% kept HN ILE 14 - HG LEU 63 25.000% * 3.4844% (0.09 0.70 3.04) = 3.484% kept HN SER 49 - HG LEU 63 25.000% * 0.0991% (0.09 0.02 0.02) = 0.099% Peak 2595 (8.90, 1.34, 26.33 ppm): 10 chemical-shift based assignments, quality = 0.468, support = 3.0, residual support = 50.8: HN LEU 63 - HG LEU 63 10.000% * 39.4703% (0.25 5.79 125.82) = 39.470% kept HN LEU 63 - QG LYS+ 60 10.000% * 23.4304% (0.98 0.88 0.78) = 23.430% kept HN GLU- 16 - QG LYS+ 60 10.000% * 14.4616% (0.65 0.82 0.14) = 14.462% kept HN PHE 62 - QG LYS+ 60 10.000% * 12.9236% (0.28 1.71 0.96) = 12.924% kept HN PHE 62 - HG LEU 63 10.000% * 5.0260% (0.07 2.60 14.29) = 5.026% kept HN GLU- 16 - HG LEU 63 10.000% * 4.4329% (0.16 0.99 1.15) = 4.433% kept HN VAL 65 - QG LYS+ 60 10.000% * 0.1078% (0.20 0.02 0.02) = 0.108% HN GLY 79 - QG LYS+ 60 10.000% * 0.0954% (0.17 0.02 0.02) = 0.095% HN VAL 65 - HG LEU 63 10.000% * 0.0275% (0.05 0.02 2.91) = 0.028% HN GLY 79 - HG LEU 63 10.000% * 0.0244% (0.04 0.02 0.02) = 0.024% Peak 2596 (7.24, 1.41, 36.70 ppm): 2 chemical-shift based assignments, quality = 0.601, support = 2.71, residual support = 7.62: HN ILE 14 - HB3 LYS+ 60 50.000% * 55.6697% (0.60 2.98 9.23) = 55.670% kept HN SER 49 - HB3 LYS+ 60 50.000% * 44.3303% (0.60 2.37 5.60) = 44.330% kept Peak 2597 (7.51, 1.41, 36.70 ppm): 3 chemical-shift based assignments, quality = 0.513, support = 5.59, residual support = 60.2: O HN LYS+ 60 - HB3 LYS+ 60 33.333% * 96.2084% (0.52 10.0 5.78 62.55) = 96.208% kept HN THR 39 - HB3 LYS+ 60 33.333% * 2.6340% (0.34 1.0 0.84 0.99) = 2.634% kept HN TYR 31 - HB3 LYS+ 60 33.333% * 1.1575% (0.17 1.0 0.72 0.02) = 1.158% kept Peak 2598 (7.51, 1.34, 26.33 ppm): 6 chemical-shift based assignments, quality = 0.479, support = 4.46, residual support = 49.7: HN LYS+ 60 - QG LYS+ 60 16.667% * 79.1152% (0.52 5.22 62.55) = 79.115% kept HN THR 39 - QG LYS+ 60 16.667% * 17.5884% (0.34 1.79 0.99) = 17.588% kept HN THR 39 - HG LEU 63 16.667% * 1.7373% (0.09 0.69 0.24) = 1.737% kept HN TYR 31 - QG LYS+ 60 16.667% * 1.4559% (0.17 0.29 0.02) = 1.456% kept HN LYS+ 60 - HG LEU 63 16.667% * 0.0774% (0.13 0.02 0.78) = 0.077% HN TYR 31 - HG LEU 63 16.667% * 0.0258% (0.04 0.02 0.02) = 0.026% Peak 2599 (7.24, 1.93, 36.70 ppm): 2 chemical-shift based assignments, quality = 0.334, support = 3.6, residual support = 7.86: HN ILE 14 - HB2 LYS+ 60 50.000% * 62.2156% (0.33 4.23 9.23) = 62.216% kept HN SER 49 - HB2 LYS+ 60 50.000% * 37.7844% (0.33 2.57 5.60) = 37.784% kept Peak 2600 (7.51, 1.93, 36.70 ppm): 3 chemical-shift based assignments, quality = 0.507, support = 5.59, residual support = 59.7: O HN LYS+ 60 - HB2 LYS+ 60 33.333% * 95.4213% (0.52 10.0 5.79 62.55) = 95.421% kept HN THR 39 - HB2 LYS+ 60 33.333% * 4.5469% (0.33 1.0 1.47 0.99) = 4.547% kept HN TYR 31 - HB2 LYS+ 60 33.333% * 0.0318% (0.17 1.0 0.02 0.02) = 0.032% Peak 2603 (0.80, 1.76, 33.02 ppm): 5 chemical-shift based assignments, quality = 0.914, support = 3.25, residual support = 46.7: O T QG2 VAL 61 - HB VAL 61 20.000% * 98.1392% (0.91 10.0 10.00 3.30 47.59) = 98.139% kept QG2 ILE 96 - HB VAL 61 20.000% * 1.6369% (0.99 1.0 1.00 0.31 2.32) = 1.637% kept HB2 LEU 76 - HB VAL 61 20.000% * 0.0953% (0.89 1.0 1.00 0.02 0.39) = 0.095% HG LEU 22 - HB VAL 61 20.000% * 0.0922% (0.86 1.0 1.00 0.02 0.02) = 0.092% HG13 ILE 24 - HB VAL 61 20.000% * 0.0363% (0.34 1.0 1.00 0.02 1.60) = 0.036% Peak 2604 (0.73, 1.76, 33.02 ppm): 3 chemical-shift based assignments, quality = 0.954, support = 2.97, residual support = 47.5: O T QG1 VAL 61 - HB VAL 61 33.333% * 99.7095% (0.96 10.0 10.00 2.98 47.59) = 99.710% kept QD1 LEU 43 - HB VAL 61 33.333% * 0.1892% (0.48 1.0 1.00 0.08 5.11) = 0.189% QG1 ILE 96 - HB VAL 61 33.333% * 0.1013% (0.97 1.0 1.00 0.02 2.32) = 0.101% Peak 2605 (0.73, 0.80, 63.88 ppm): 3 chemical-shift based assignments, quality = 0.952, support = 3.2, residual support = 45.7: O T QG1 VAL 61 - QG2 VAL 61 33.333% * 95.7400% (0.96 10.0 10.00 3.31 47.59) = 95.740% kept QD1 LEU 43 - QG2 VAL 61 33.333% * 2.3540% (0.49 1.0 1.00 0.97 5.11) = 2.354% kept QG1 ILE 96 - QG2 VAL 61 33.333% * 1.9060% (0.98 1.0 1.00 0.39 2.32) = 1.906% kept Peak 2606 (0.31, 0.80, 63.88 ppm): 4 chemical-shift based assignments, quality = 0.411, support = 0.845, residual support = 2.45: T QD1 ILE 24 - QG2 VAL 61 25.000% * 35.1514% (0.15 10.00 0.47 1.60) = 35.151% kept QD1 LEU 63 - QG2 VAL 61 25.000% * 27.9466% (0.45 1.00 1.30 2.42) = 27.947% kept QG1 VAL 71 - QG2 VAL 61 25.000% * 24.7519% (0.45 1.00 1.15 4.89) = 24.752% kept QG1 VAL 7 - QG2 VAL 61 25.000% * 12.1500% (1.00 1.00 0.25 0.02) = 12.150% kept Peak 2607 (0.43, 0.80, 63.88 ppm): 2 chemical-shift based assignments, quality = 0.897, support = 0.84, residual support = 0.385: QD2 LEU 76 - QG2 VAL 61 50.000% * 94.3629% (0.92 0.88 0.39) = 94.363% kept QD1 LEU 76 - QG2 VAL 61 50.000% * 5.6371% (0.49 0.10 0.39) = 5.637% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2608 (0.34, 0.74, 23.42 ppm): 4 chemical-shift based assignments, quality = 0.804, support = 2.66, residual support = 4.39: T QG1 VAL 71 - QG1 VAL 61 25.000% * 82.4755% (0.80 10.00 2.80 4.89) = 82.475% kept QD1 LEU 63 - QG1 VAL 61 25.000% * 10.8786% (0.80 1.00 2.64 2.42) = 10.879% kept QD1 ILE 24 - QG1 VAL 61 25.000% * 5.8224% (1.00 1.00 1.13 1.60) = 5.822% kept QG1 VAL 7 - QG1 VAL 61 25.000% * 0.8235% (0.17 1.00 0.91 0.02) = 0.824% Peak 2609 (0.80, 0.74, 23.42 ppm): 5 chemical-shift based assignments, quality = 0.914, support = 3.24, residual support = 46.7: O T QG2 VAL 61 - QG1 VAL 61 20.000% * 98.0159% (0.92 10.0 10.00 3.31 47.59) = 98.016% kept QG2 ILE 96 - QG1 VAL 61 20.000% * 1.1248% (1.00 1.0 1.00 0.21 2.32) = 1.125% kept HG13 ILE 24 - QG1 VAL 61 20.000% * 0.6720% (0.34 1.0 1.00 0.37 1.60) = 0.672% HB2 LEU 76 - QG1 VAL 61 20.000% * 0.0952% (0.89 1.0 1.00 0.02 0.39) = 0.095% HG LEU 22 - QG1 VAL 61 20.000% * 0.0921% (0.87 1.0 1.00 0.02 0.02) = 0.092% Peak 2610 (1.09, 0.74, 23.42 ppm): 4 chemical-shift based assignments, quality = 0.642, support = 1.06, residual support = 2.3: T QG1 VAL 52 - QG1 VAL 61 25.000% * 99.5024% (0.65 10.00 1.06 2.31) = 99.502% kept HG12 ILE 24 - QG1 VAL 61 25.000% * 0.2211% (0.76 1.00 0.02 1.60) = 0.221% HG13 ILE 14 - QG1 VAL 61 25.000% * 0.1872% (0.65 1.00 0.02 0.83) = 0.187% HG13 ILE 95 - QG1 VAL 61 25.000% * 0.0893% (0.31 1.00 0.02 0.02) = 0.089% Peak 2611 (1.18, 0.74, 23.42 ppm): 7 chemical-shift based assignments, quality = 0.446, support = 1.78, residual support = 7.48: T HB3 LEU 43 - QG1 VAL 61 14.286% * 48.8390% (0.49 10.00 1.42 5.11) = 48.839% kept T QE MET 54 - QG1 VAL 61 14.286% * 39.2767% (0.28 10.00 2.39 8.90) = 39.277% kept HD3 LYS+ 56 - QG1 VAL 61 14.286% * 10.0573% (0.99 1.00 1.44 14.84) = 10.057% kept HG3 GLU- 23 - QG1 VAL 61 14.286% * 0.6431% (0.15 1.00 0.59 0.21) = 0.643% QG2 THR 39 - QG1 VAL 61 14.286% * 0.5044% (0.65 1.00 0.11 0.02) = 0.504% QG2 THR 4 - QG1 VAL 61 14.286% * 0.5000% (0.69 1.00 0.10 0.02) = 0.500% HG3 ARG+ 48 - QG1 VAL 61 14.286% * 0.1794% (0.31 1.00 0.08 0.02) = 0.179% Peak 2612 (1.13, 0.80, 63.88 ppm): 8 chemical-shift based assignments, quality = 0.637, support = 1.73, residual support = 1.36: QG2 VAL 65 - QG2 VAL 61 12.500% * 38.7299% (0.87 1.00 2.59 1.36) = 38.730% kept QG2 ILE 38 - QG2 VAL 61 12.500% * 20.5316% (0.83 1.00 1.43 1.02) = 20.532% kept T HG13 ILE 14 - QG2 VAL 61 12.500% * 18.0773% (0.22 10.00 0.47 0.83) = 18.077% kept HB3 LEU 43 - QG2 VAL 61 12.500% * 7.6234% (0.17 1.00 2.53 5.11) = 7.623% kept HG12 ILE 24 - QG2 VAL 61 12.500% * 5.5546% (0.15 1.00 2.09 1.60) = 5.555% kept HG13 ILE 95 - QG2 VAL 61 12.500% * 5.1760% (0.52 1.00 0.57 0.02) = 5.176% kept HG3 ARG+ 88 - QG2 VAL 61 12.500% * 4.2009% (0.99 1.00 0.25 0.02) = 4.201% kept HG3 ARG+ 48 - QG2 VAL 61 12.500% * 0.1064% (0.31 1.00 0.02 0.02) = 0.106% Peak 2613 (1.21, 0.80, 63.88 ppm): 7 chemical-shift based assignments, quality = 0.679, support = 2.65, residual support = 9.91: T QE MET 54 - QG2 VAL 61 14.286% * 59.6662% (0.80 10.00 2.95 8.90) = 59.666% kept T HB3 LYS+ 56 - QG2 VAL 61 14.286% * 30.6336% (0.41 10.00 2.64 14.84) = 30.634% kept QG1 VAL 65 - QG2 VAL 61 14.286% * 3.0961% (0.76 1.00 1.09 1.36) = 3.096% kept HG3 GLU- 23 - QG2 VAL 61 14.286% * 2.8845% (0.94 1.00 0.82 0.21) = 2.884% kept HB3 LEU 42 - QG2 VAL 61 14.286% * 2.2470% (0.92 1.00 0.65 0.12) = 2.247% kept QG2 THR 39 - QG2 VAL 61 14.286% * 1.3285% (0.41 1.00 0.87 0.02) = 1.329% kept QG2 THR 4 - QG2 VAL 61 14.286% * 0.1441% (0.37 1.00 0.10 0.02) = 0.144% Peak 2614 (1.76, 0.80, 63.88 ppm): 11 chemical-shift based assignments, quality = 0.896, support = 2.82, residual support = 33.0: O T HB VAL 61 - QG2 VAL 61 9.091% * 68.3208% (0.98 10.0 10.00 3.30 47.59) = 68.321% kept T HB ILE 14 - QG2 VAL 61 9.091% * 16.1064% (0.65 1.0 10.00 0.71 0.83) = 16.106% kept HB2 LYS+ 55 - QG2 VAL 61 9.091% * 11.3155% (1.00 1.0 1.00 3.25 2.19) = 11.315% kept HD2 LYS+ 55 - QG2 VAL 61 9.091% * 2.3846% (0.25 1.0 1.00 2.74 2.19) = 2.385% kept HG3 ARG+ 53 - QG2 VAL 61 9.091% * 1.4649% (0.37 1.0 1.00 1.12 0.69) = 1.465% kept HB ILE 95 - QG2 VAL 61 9.091% * 0.2951% (0.87 1.0 1.00 0.10 0.02) = 0.295% HB3 PRO 25 - QG2 VAL 61 9.091% * 0.0423% (0.61 1.0 1.00 0.02 0.02) = 0.042% HB3 LYS+ 20 - QG2 VAL 61 9.091% * 0.0287% (0.41 1.0 1.00 0.02 0.02) = 0.029% HB2 ARG+ 48 - QG2 VAL 61 9.091% * 0.0155% (0.22 1.0 1.00 0.02 0.02) = 0.016% HG LEU 82 - QG2 VAL 61 9.091% * 0.0155% (0.22 1.0 1.00 0.02 0.02) = 0.016% HG12 ILE 38 - QG2 VAL 61 9.091% * 0.0108% (0.15 1.0 1.00 0.02 1.02) = 0.011% Peak 2615 (2.02, 0.80, 63.88 ppm): 8 chemical-shift based assignments, quality = 0.875, support = 1.79, residual support = 4.66: HG3 MET 54 - QG2 VAL 61 12.500% * 46.6516% (0.92 2.64 8.90) = 46.652% kept HB2 ARG+ 53 - QG2 VAL 61 12.500% * 27.3230% (1.00 1.43 0.69) = 27.323% kept HB VAL 52 - QG2 VAL 61 12.500% * 9.8878% (0.69 0.75 2.31) = 9.888% kept HB ILE 38 - QG2 VAL 61 12.500% * 9.0855% (0.61 0.78 1.02) = 9.085% kept HB3 MET 1 - QG2 VAL 61 12.500% * 5.4650% (0.72 0.39 0.02) = 5.465% kept HG2 PRO 33 - QG2 VAL 61 12.500% * 1.3505% (0.83 0.08 0.02) = 1.350% kept QG PRO 12 - QG2 VAL 61 12.500% * 0.1183% (0.31 0.02 0.02) = 0.118% HB2 LYS+ 20 - QG2 VAL 61 12.500% * 0.1183% (0.31 0.02 0.02) = 0.118% Peak 2616 (2.36, 0.80, 63.88 ppm): 3 chemical-shift based assignments, quality = 0.405, support = 2.34, residual support = 14.6: T HE3 LYS+ 56 - QG2 VAL 61 33.333% * 98.2519% (0.41 10.00 2.37 14.84) = 98.252% kept HB2 PRO 33 - QG2 VAL 61 33.333% * 1.1783% (0.17 1.00 0.56 0.02) = 1.178% kept HG3 GLU- 68 - QG2 VAL 61 33.333% * 0.5698% (0.41 1.00 0.12 0.02) = 0.570% Peak 2617 (2.55, 0.80, 63.88 ppm): 7 chemical-shift based assignments, quality = 0.745, support = 1.94, residual support = 11.8: T HE2 LYS+ 56 - QG2 VAL 61 14.286% * 76.0017% (0.72 10.00 2.37 14.84) = 76.002% kept T HB3 TYR 81 - QG2 VAL 61 14.286% * 17.4807% (0.94 10.00 0.35 1.32) = 17.481% kept QB PHE 62 - QG2 VAL 61 14.286% * 2.0880% (0.14 1.00 2.95 11.74) = 2.088% kept HG3 MET 1 - QG2 VAL 61 14.286% * 2.0506% (0.92 1.00 0.42 0.02) = 2.051% kept HB3 ASP- 41 - QG2 VAL 61 14.286% * 1.1565% (0.65 1.00 0.34 0.02) = 1.157% kept HB3 ASN 75 - QG2 VAL 61 14.286% * 0.9216% (0.52 1.00 0.33 0.02) = 0.922% HB3 PHE 13 - QG2 VAL 61 14.286% * 0.3009% (0.49 1.00 0.12 0.02) = 0.301% Peak 2618 (2.92, 0.80, 63.88 ppm): 2 chemical-shift based assignments, quality = 0.905, support = 1.55, residual support = 4.57: QB ASN 29 - QG2 VAL 61 50.000% * 94.9221% (0.92 1.63 4.82) = 94.922% kept HB2 TYR 93 - QG2 VAL 61 50.000% * 5.0779% (0.61 0.13 0.02) = 5.078% kept Peak 2619 (4.47, 0.80, 63.88 ppm): 9 chemical-shift based assignments, quality = 0.892, support = 3.62, residual support = 44.5: O T HA VAL 61 - QG2 VAL 61 11.111% * 91.4697% (0.94 10.0 10.00 3.68 47.59) = 91.470% kept HA LYS+ 60 - QG2 VAL 61 11.111% * 5.8059% (0.31 1.0 1.00 3.89 16.15) = 5.806% kept HB THR 64 - QG2 VAL 61 11.111% * 2.4146% (0.45 1.0 1.00 1.11 1.44) = 2.415% kept HA TYR 31 - QG2 VAL 61 11.111% * 0.0948% (0.98 1.0 1.00 0.02 0.02) = 0.095% HA ASN 69 - QG2 VAL 61 11.111% * 0.0547% (0.56 1.0 1.00 0.02 0.02) = 0.055% HA ASN 100 - QG2 VAL 61 11.111% * 0.0547% (0.56 1.0 1.00 0.02 0.02) = 0.055% HA ASN 74 - QG2 VAL 61 11.111% * 0.0509% (0.52 1.0 1.00 0.02 0.02) = 0.051% HA GLU- 6 - QG2 VAL 61 11.111% * 0.0398% (0.41 1.0 1.00 0.02 0.02) = 0.040% HA VAL 7 - QG2 VAL 61 11.111% * 0.0149% (0.15 1.0 1.00 0.02 0.02) = 0.015% Peak 2620 (4.76, 0.80, 63.88 ppm): 4 chemical-shift based assignments, quality = 0.684, support = 2.22, residual support = 1.91: HA LYS+ 55 - QG2 VAL 61 25.000% * 65.1494% (0.80 2.36 2.19) = 65.149% kept HA THR 64 - QG2 VAL 61 25.000% * 33.6730% (0.49 2.01 1.44) = 33.673% kept HA ALA 34 - QG2 VAL 61 25.000% * 0.6774% (0.14 0.15 0.02) = 0.677% HA ILE 85 - QG2 VAL 61 25.000% * 0.5002% (0.72 0.02 0.02) = 0.500% Peak 2621 (5.08, 0.80, 63.88 ppm): 4 chemical-shift based assignments, quality = 0.947, support = 2.99, residual support = 10.1: HA LYS+ 56 - QG2 VAL 61 25.000% * 49.8797% (1.00 3.86 14.84) = 49.880% kept HA1 GLY 66 - QG2 VAL 61 25.000% * 27.7530% (0.96 2.22 3.42) = 27.753% kept HA LYS+ 80 - QG2 VAL 61 25.000% * 21.9190% (0.83 2.03 7.87) = 21.919% kept HA VAL 40 - QG2 VAL 61 25.000% * 0.4483% (0.15 0.22 0.02) = 0.448% Peak 2622 (1.76, 0.74, 23.42 ppm): 11 chemical-shift based assignments, quality = 0.946, support = 2.78, residual support = 41.7: O T HB VAL 61 - QG1 VAL 61 9.091% * 87.2659% (0.98 10.0 10.00 2.98 47.59) = 87.266% kept HB2 LYS+ 55 - QG1 VAL 61 9.091% * 6.6184% (1.00 1.0 1.00 1.49 2.19) = 6.618% kept HG3 ARG+ 53 - QG1 VAL 61 9.091% * 3.1713% (0.37 1.0 1.00 1.90 0.69) = 3.171% kept HD2 LYS+ 55 - QG1 VAL 61 9.091% * 1.4658% (0.25 1.0 1.00 1.32 2.19) = 1.466% kept HB ILE 95 - QG1 VAL 61 9.091% * 1.2770% (0.87 1.0 1.00 0.33 0.02) = 1.277% kept HB ILE 14 - QG1 VAL 61 9.091% * 0.0576% (0.65 1.0 1.00 0.02 0.83) = 0.058% HB3 PRO 25 - QG1 VAL 61 9.091% * 0.0540% (0.61 1.0 1.00 0.02 0.02) = 0.054% HB3 LYS+ 20 - QG1 VAL 61 9.091% * 0.0366% (0.41 1.0 1.00 0.02 0.02) = 0.037% HG LEU 82 - QG1 VAL 61 9.091% * 0.0198% (0.22 1.0 1.00 0.02 0.02) = 0.020% HB2 ARG+ 48 - QG1 VAL 61 9.091% * 0.0198% (0.22 1.0 1.00 0.02 0.02) = 0.020% HG12 ILE 38 - QG1 VAL 61 9.091% * 0.0137% (0.15 1.0 1.00 0.02 1.02) = 0.014% Peak 2623 (2.02, 0.74, 23.42 ppm): 8 chemical-shift based assignments, quality = 0.868, support = 1.75, residual support = 3.89: HG3 MET 54 - QG1 VAL 61 12.500% * 36.6225% (0.92 2.44 8.90) = 36.623% kept HB2 ARG+ 53 - QG1 VAL 61 12.500% * 29.7782% (1.00 1.84 0.69) = 29.778% kept HB VAL 52 - QG1 VAL 61 12.500% * 14.8831% (0.69 1.33 2.31) = 14.883% kept HB ILE 38 - QG1 VAL 61 12.500% * 7.4698% (0.61 0.76 1.02) = 7.470% kept HG2 PRO 33 - QG1 VAL 61 12.500% * 6.6276% (0.83 0.49 0.02) = 6.628% kept HB3 MET 1 - QG1 VAL 61 12.500% * 4.4182% (0.72 0.37 0.02) = 4.418% kept QG PRO 12 - QG1 VAL 61 12.500% * 0.1003% (0.31 0.02 0.02) = 0.100% HB2 LYS+ 20 - QG1 VAL 61 12.500% * 0.1003% (0.31 0.02 0.02) = 0.100% Peak 2624 (4.47, 0.74, 23.42 ppm): 9 chemical-shift based assignments, quality = 0.898, support = 3.47, residual support = 44.9: O T HA VAL 61 - QG1 VAL 61 11.111% * 92.7158% (0.94 10.0 10.00 3.58 47.59) = 92.716% kept HA LYS+ 60 - QG1 VAL 61 11.111% * 4.6190% (0.31 1.0 1.00 3.05 16.15) = 4.619% kept HB THR 64 - QG1 VAL 61 11.111% * 1.9637% (0.45 1.0 1.00 0.89 1.44) = 1.964% kept HA ASN 74 - QG1 VAL 61 11.111% * 0.4391% (0.52 1.0 1.00 0.17 0.02) = 0.439% HA TYR 31 - QG1 VAL 61 11.111% * 0.0961% (0.98 1.0 1.00 0.02 0.02) = 0.096% HA ASN 69 - QG1 VAL 61 11.111% * 0.0555% (0.56 1.0 1.00 0.02 0.02) = 0.055% HA ASN 100 - QG1 VAL 61 11.111% * 0.0555% (0.56 1.0 1.00 0.02 0.02) = 0.055% HA GLU- 6 - QG1 VAL 61 11.111% * 0.0403% (0.41 1.0 1.00 0.02 0.02) = 0.040% HA VAL 7 - QG1 VAL 61 11.111% * 0.0151% (0.15 1.0 1.00 0.02 0.02) = 0.015% Peak 2625 (4.79, 0.74, 23.42 ppm): 3 chemical-shift based assignments, quality = 0.685, support = 0.881, residual support = 1.36: HA THR 64 - QG1 VAL 61 33.333% * 58.4645% (0.76 0.96 1.44) = 58.464% kept HA TYR 81 - QG1 VAL 61 33.333% * 38.7896% (0.61 0.80 1.32) = 38.790% kept HA TRP 50 - QG1 VAL 61 33.333% * 2.7459% (0.15 0.22 0.02) = 2.746% kept Peak 2626 (5.08, 0.74, 23.42 ppm): 3 chemical-shift based assignments, quality = 0.972, support = 2.34, residual support = 9.23: HA LYS+ 56 - QG1 VAL 61 33.333% * 37.9159% (0.96 2.65 14.84) = 37.916% kept HA LYS+ 80 - QG1 VAL 61 33.333% * 33.2715% (0.96 2.33 7.87) = 33.271% kept HA1 GLY 66 - QG1 VAL 61 33.333% * 28.8127% (1.00 1.95 3.42) = 28.813% kept Peak 2627 (6.51, 0.80, 63.88 ppm): 1 chemical-shift based assignment, quality = 0.175, support = 1.64, residual support = 4.82: HD22 ASN 29 - QG2 VAL 61 100.000% *100.0000% (0.17 1.64 4.82) = 100.000% kept Peak 2628 (6.93, 0.80, 63.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2629 (7.04, 0.80, 63.88 ppm): 1 chemical-shift based assignment, quality = 0.447, support = 1.96, residual support = 3.57: HN LYS+ 17 - QG2 VAL 61 100.000% *100.0000% (0.45 1.96 3.57) = 100.000% kept Peak 2630 (7.32, 0.80, 63.88 ppm): 2 chemical-shift based assignments, quality = 0.544, support = 0.854, residual support = 4.62: HD21 ASN 29 - QG2 VAL 61 50.000% * 95.9084% (0.52 0.89 4.82) = 95.908% kept HE21 GLN 83 - QG2 VAL 61 50.000% * 4.0916% (1.00 0.02 0.02) = 4.092% kept Peak 2631 (7.54, 0.80, 63.88 ppm): 2 chemical-shift based assignments, quality = 0.518, support = 2.64, residual support = 6.62: HN LYS+ 80 - QG2 VAL 61 50.000% * 59.0413% (0.49 3.16 7.87) = 59.041% kept HN ASN 29 - QG2 VAL 61 50.000% * 40.9587% (0.56 1.89 4.82) = 40.959% kept Peak 2632 (8.89, 0.80, 63.88 ppm): 4 chemical-shift based assignments, quality = 0.591, support = 3.03, residual support = 5.45: HN LEU 63 - QG2 VAL 61 25.000% * 38.1567% (0.80 2.76 2.42) = 38.157% kept HN PHE 62 - QG2 VAL 61 25.000% * 36.5755% (0.52 4.02 11.74) = 36.576% kept HN GLU- 16 - QG2 VAL 61 25.000% * 14.9398% (0.37 2.30 1.27) = 14.940% kept HN GLY 79 - QG2 VAL 61 25.000% * 10.3280% (0.37 1.59 0.39) = 10.328% kept Peak 2633 (9.38, 0.80, 63.88 ppm): 3 chemical-shift based assignments, quality = 0.577, support = 3.04, residual support = 22.7: HN GLY 66 - QG2 VAL 61 33.333% * 51.0201% (0.76 2.46 3.42) = 51.020% kept HN VAL 61 - QG2 VAL 61 33.333% * 43.9513% (0.41 3.93 47.59) = 43.951% kept HN GLU- 68 - QG2 VAL 61 33.333% * 5.0286% (0.15 1.20 0.02) = 5.029% kept Peak 2634 (9.29, 0.80, 63.88 ppm): 2 chemical-shift based assignments, quality = 0.758, support = 1.44, residual support = 4.79: HN LEU 43 - QG2 VAL 61 50.000% * 93.6099% (0.80 1.50 5.11) = 93.610% kept HN GLN 83 - QG2 VAL 61 50.000% * 6.3901% (0.15 0.53 0.02) = 6.390% kept Peak 2635 (5.27, 0.74, 23.42 ppm): 5 chemical-shift based assignments, quality = 0.932, support = 2.71, residual support = 8.84: HA PHE 62 - QG1 VAL 61 20.000% * 70.7495% (1.00 3.37 11.74) = 70.749% kept HA VAL 52 - QG1 VAL 61 20.000% * 22.7995% (0.80 1.35 2.31) = 22.799% kept HA THR 39 - QG1 VAL 61 20.000% * 6.0017% (0.76 0.37 0.02) = 6.002% kept HA TYR 93 - QG1 VAL 61 20.000% * 0.3057% (0.72 0.02 0.02) = 0.306% HA ARG+ 90 - QG1 VAL 61 20.000% * 0.1436% (0.34 0.02 0.02) = 0.144% Peak 2636 (6.93, 0.74, 23.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2637 (7.05, 0.74, 23.42 ppm): 1 chemical-shift based assignment, quality = 0.921, support = 1.6, residual support = 3.57: HN LYS+ 17 - QG1 VAL 61 100.000% *100.0000% (0.92 1.60 3.57) = 100.000% kept Peak 2638 (7.55, 0.74, 23.42 ppm): 2 chemical-shift based assignments, quality = 0.712, support = 2.98, residual support = 7.28: HN LYS+ 80 - QG1 VAL 61 50.000% * 80.7412% (0.69 3.52 7.87) = 80.741% kept HN ASN 29 - QG1 VAL 61 50.000% * 19.2588% (0.80 0.73 4.82) = 19.259% kept Peak 2639 (8.89, 0.74, 23.42 ppm): 4 chemical-shift based assignments, quality = 0.594, support = 2.94, residual support = 5.48: HN LEU 63 - QG1 VAL 61 25.000% * 38.5928% (0.80 2.69 2.42) = 38.593% kept HN PHE 62 - QG1 VAL 61 25.000% * 36.9173% (0.52 3.92 11.74) = 36.917% kept HN GLU- 16 - QG1 VAL 61 25.000% * 13.5393% (0.37 2.01 1.27) = 13.539% kept HN GLY 79 - QG1 VAL 61 25.000% * 10.9506% (0.37 1.63 0.39) = 10.951% kept Peak 2640 (9.30, 0.74, 23.42 ppm): 1 chemical-shift based assignment, quality = 0.565, support = 1.99, residual support = 5.11: HN LEU 43 - QG1 VAL 61 100.000% *100.0000% (0.56 1.99 5.11) = 100.000% kept Peak 2641 (9.39, 0.74, 23.42 ppm): 3 chemical-shift based assignments, quality = 0.312, support = 1.64, residual support = 2.99: HN GLY 66 - QG1 VAL 61 33.333% * 87.2989% (0.28 1.86 3.42) = 87.299% kept HN GLU- 68 - QG1 VAL 61 33.333% * 11.3166% (0.56 0.12 0.02) = 11.317% kept HN TYR 97 - QG1 VAL 61 33.333% * 1.3845% (0.41 0.02 0.02) = 1.384% kept Peak 2642 (8.36, 1.76, 33.02 ppm): 3 chemical-shift based assignments, quality = 0.448, support = 0.843, residual support = 1.53: HN ILE 24 - HB VAL 61 33.333% * 95.5284% (0.44 0.88 1.60) = 95.528% kept HN LYS+ 20 - HB VAL 61 33.333% * 3.1274% (0.64 0.02 0.02) = 3.127% kept HN GLY 5 - HB VAL 61 33.333% * 1.3442% (0.28 0.02 0.02) = 1.344% kept Peak 2643 (9.38, 1.76, 33.02 ppm): 3 chemical-shift based assignments, quality = 0.448, support = 3.32, residual support = 41.5: O HN VAL 61 - HB VAL 61 33.333% * 86.4166% (0.41 10.0 3.61 47.59) = 86.417% kept HN GLY 66 - HB VAL 61 33.333% * 12.4007% (0.76 1.0 1.54 3.42) = 12.401% kept HN GLU- 68 - HB VAL 61 33.333% * 1.1827% (0.15 1.0 0.73 0.02) = 1.183% kept Peak 2644 (6.89, 2.52, 43.40 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2645 (8.91, 2.52, 43.40 ppm): 8 chemical-shift based assignments, quality = 0.587, support = 3.56, residual support = 15.5: HN LEU 63 - QB PHE 62 12.500% * 50.9675% (0.83 1.0 4.22 14.29) = 50.967% kept O HN ASP- 41 - HB3 ASP- 41 12.500% * 27.1117% (0.09 10.0 4.61 30.09) = 27.112% kept HN GLU- 16 - QB PHE 62 12.500% * 10.1994% (0.98 1.0 0.71 0.02) = 10.199% kept HN VAL 65 - QB PHE 62 12.500% * 3.4717% (0.60 1.0 0.40 0.53) = 3.472% kept HN VAL 65 - HB3 ASP- 41 12.500% * 2.6218% (0.14 1.0 1.31 0.02) = 2.622% kept HN LEU 63 - HB3 ASP- 41 12.500% * 2.5667% (0.19 1.0 0.93 0.02) = 2.567% kept HN ASP- 41 - QB PHE 62 12.500% * 2.0103% (0.41 1.0 0.34 0.02) = 2.010% kept HN GLU- 16 - HB3 ASP- 41 12.500% * 1.0510% (0.22 1.0 0.32 0.12) = 1.051% kept Peak 2646 (6.90, 5.28, 55.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2647 (8.91, 5.28, 55.51 ppm): 8 chemical-shift based assignments, quality = 0.808, support = 3.3, residual support = 12.9: O HN LEU 63 - HA PHE 62 12.500% * 89.8574% (0.83 10.0 3.56 14.29) = 89.857% kept HN GLU- 16 - HA PHE 62 12.500% * 3.9099% (0.98 1.0 0.73 0.02) = 3.910% kept HN VAL 65 - HA PHE 62 12.500% * 2.5044% (0.60 1.0 0.77 0.53) = 2.504% kept HN LEU 63 - HA ARG+ 90 12.500% * 1.8678% (0.17 1.0 2.00 1.33) = 1.868% kept HN ASP- 41 - HA PHE 62 12.500% * 1.8155% (0.41 1.0 0.82 0.02) = 1.815% kept HN GLU- 16 - HA ARG+ 90 12.500% * 0.0222% (0.20 1.0 0.02 0.02) = 0.022% HN VAL 65 - HA ARG+ 90 12.500% * 0.0136% (0.13 1.0 0.02 0.02) = 0.014% HN ASP- 41 - HA ARG+ 90 12.500% * 0.0092% (0.08 1.0 0.02 0.02) = 0.009% Peak 2648 (1.72, 2.52, 43.40 ppm): 18 chemical-shift based assignments, quality = 0.607, support = 0.781, residual support = 2.9: HD3 LYS+ 55 - QB PHE 62 5.556% * 27.7597% (0.34 1.69 7.62) = 27.760% kept HB2 GLU- 23 - QB PHE 62 5.556% * 21.9514% (0.99 0.46 2.70) = 21.951% kept QB GLU- 30 - QB PHE 62 5.556% * 16.2390% (0.86 0.39 0.02) = 16.239% kept QD LYS+ 60 - QB PHE 62 5.556% * 14.3874% (0.60 0.49 0.96) = 14.387% kept HG LEU 26 - QB PHE 62 5.556% * 8.9200% (0.68 0.27 0.02) = 8.920% kept HG12 ILE 38 - HB3 ASP- 41 5.556% * 3.9796% (0.16 0.53 0.16) = 3.980% kept HD3 LYS+ 55 - HB3 ASP- 41 5.556% * 3.5708% (0.08 0.95 1.05) = 3.571% kept HG12 ILE 38 - QB PHE 62 5.556% * 0.6627% (0.68 0.02 0.98) = 0.663% HB2 ARG+ 48 - QB PHE 62 5.556% * 0.5462% (0.56 0.02 0.02) = 0.546% HB2 ARG+ 48 - HB3 ASP- 41 5.556% * 0.4765% (0.13 0.08 0.02) = 0.476% HB ILE 14 - HB3 ASP- 41 5.556% * 0.2599% (0.04 0.13 0.02) = 0.260% HB2 GLU- 23 - HB3 ASP- 41 5.556% * 0.2196% (0.23 0.02 0.02) = 0.220% HB3 PRO 25 - HB3 ASP- 41 5.556% * 0.1918% (0.04 0.09 0.02) = 0.192% HB3 PRO 25 - QB PHE 62 5.556% * 0.1909% (0.20 0.02 0.02) = 0.191% QB GLU- 30 - HB3 ASP- 41 5.556% * 0.1909% (0.20 0.02 0.02) = 0.191% HB ILE 14 - QB PHE 62 5.556% * 0.1690% (0.17 0.02 0.17) = 0.169% HG LEU 26 - HB3 ASP- 41 5.556% * 0.1512% (0.16 0.02 0.02) = 0.151% QD LYS+ 60 - HB3 ASP- 41 5.556% * 0.1335% (0.14 0.02 0.02) = 0.133% Peak 2649 (0.97, 2.52, 43.40 ppm): 20 chemical-shift based assignments, quality = 0.545, support = 1.34, residual support = 2.6: T QG2 THR 64 - QB PHE 62 5.000% * 33.3779% (0.64 10.00 1.38 2.01) = 33.378% kept T HG3 LYS+ 56 - QB PHE 62 5.000% * 33.2543% (0.76 10.00 1.16 0.85) = 33.254% kept T QG1 VAL 40 - QB PHE 62 5.000% * 16.4843% (0.37 10.00 1.17 2.50) = 16.484% kept T HG3 LYS+ 56 - HB3 ASP- 41 5.000% * 6.8607% (0.17 10.00 1.05 0.46) = 6.861% kept T QG1 VAL 40 - HB3 ASP- 41 5.000% * 6.4113% (0.08 10.00 3.53 18.78) = 6.411% kept QD1 ILE 38 - QB PHE 62 5.000% * 0.9422% (0.22 1.00 1.13 0.98) = 0.942% T QD2 LEU 82 - HB3 ASP- 41 5.000% * 0.5257% (0.14 10.00 0.10 0.02) = 0.526% T QD2 LEU 82 - QB PHE 62 5.000% * 0.4542% (0.60 10.00 0.02 0.02) = 0.454% QG2 ILE 85 - HB3 ASP- 41 5.000% * 0.3452% (0.20 1.00 0.45 0.52) = 0.345% QG2 ILE 14 - QB PHE 62 5.000% * 0.3108% (0.79 1.00 0.10 0.17) = 0.311% HG LEU 76 - HB3 ASP- 41 5.000% * 0.2828% (0.08 1.00 0.88 0.45) = 0.283% QG2 ILE 14 - HB3 ASP- 41 5.000% * 0.2752% (0.18 1.00 0.40 0.02) = 0.275% QG2 THR 64 - HB3 ASP- 41 5.000% * 0.2052% (0.15 1.00 0.37 0.02) = 0.205% QD1 ILE 38 - HB3 ASP- 41 5.000% * 0.1057% (0.05 1.00 0.56 0.16) = 0.106% QG2 ILE 85 - QB PHE 62 5.000% * 0.0672% (0.89 1.00 0.02 0.02) = 0.067% QG2 VAL 52 - QB PHE 62 5.000% * 0.0308% (0.41 1.00 0.02 0.12) = 0.031% HG LEU 76 - QB PHE 62 5.000% * 0.0281% (0.37 1.00 0.02 0.02) = 0.028% HB3 ARG+ 48 - QB PHE 62 5.000% * 0.0255% (0.34 1.00 0.02 0.02) = 0.026% QG2 VAL 52 - HB3 ASP- 41 5.000% * 0.0070% (0.09 1.00 0.02 0.28) = 0.007% HB3 ARG+ 48 - HB3 ASP- 41 5.000% * 0.0058% (0.08 1.00 0.02 0.02) = 0.006% Peak 2650 (3.53, 5.28, 55.51 ppm): 10 chemical-shift based assignments, quality = 0.825, support = 2.02, residual support = 2.48: T HA GLU- 23 - HA PHE 62 10.000% * 91.4581% (0.86 10.00 2.17 2.70) = 91.458% kept T HA GLU- 23 - HA ARG+ 90 10.000% * 4.9804% (0.18 10.00 0.52 0.15) = 4.980% kept HD3 PRO 37 - HA PHE 62 10.000% * 2.0823% (0.91 1.00 0.43 0.10) = 2.082% kept QB SER 49 - HA PHE 62 10.000% * 1.0904% (0.96 1.00 0.21 0.02) = 1.090% kept HD3 PRO 37 - HA ARG+ 90 10.000% * 0.1198% (0.19 1.00 0.12 0.02) = 0.120% HB3 SER 15 - HA PHE 62 10.000% * 0.1033% (0.97 1.00 0.02 0.02) = 0.103% HA LEU 76 - HA PHE 62 10.000% * 0.1018% (0.96 1.00 0.02 0.02) = 0.102% HB3 SER 15 - HA ARG+ 90 10.000% * 0.0215% (0.20 1.00 0.02 0.02) = 0.022% HA LEU 76 - HA ARG+ 90 10.000% * 0.0212% (0.20 1.00 0.02 0.02) = 0.021% QB SER 49 - HA ARG+ 90 10.000% * 0.0212% (0.20 1.00 0.02 0.02) = 0.021% Peak 2651 (1.80, 5.28, 55.51 ppm): 18 chemical-shift based assignments, quality = 0.495, support = 0.802, residual support = 1.24: HG2 ARG+ 53 - HA PHE 62 5.556% * 30.1902% (0.60 0.90 0.19) = 30.190% kept HG3 ARG+ 53 - HA PHE 62 5.556% * 23.4965% (0.60 0.70 0.19) = 23.496% kept HB ILE 24 - HA PHE 62 5.556% * 17.3083% (0.17 1.78 3.16) = 17.308% kept HD2 LYS+ 55 - HA PHE 62 5.556% * 7.1644% (0.76 0.17 7.62) = 7.164% kept HG2 ARG+ 53 - HA ARG+ 90 5.556% * 4.3675% (0.13 0.62 0.02) = 4.367% kept HG LEU 82 - HA PHE 62 5.556% * 3.9116% (0.79 0.09 0.02) = 3.912% kept HB3 LYS+ 20 - HA PHE 62 5.556% * 3.2485% (0.56 0.10 0.02) = 3.249% kept HG LEU 42 - HA PHE 62 5.556% * 2.8619% (0.64 0.08 0.02) = 2.862% kept HD2 LYS+ 55 - HA ARG+ 90 5.556% * 1.5873% (0.16 0.18 2.84) = 1.587% kept HG3 ARG+ 53 - HA ARG+ 90 5.556% * 1.4576% (0.13 0.21 0.02) = 1.458% kept HB3 LYS+ 17 - HA PHE 62 5.556% * 1.0723% (0.96 0.02 0.02) = 1.072% kept HB ILE 24 - HA ARG+ 90 5.556% * 1.0671% (0.04 0.53 0.12) = 1.067% kept HB3 LYS+ 17 - HA ARG+ 90 5.556% * 0.9091% (0.20 0.08 0.02) = 0.909% HG LEU 42 - HA ARG+ 90 5.556% * 0.8065% (0.13 0.11 2.92) = 0.806% HB ILE 95 - HA PHE 62 5.556% * 0.1946% (0.17 0.02 0.02) = 0.195% HG LEU 82 - HA ARG+ 90 5.556% * 0.1853% (0.17 0.02 0.02) = 0.185% HB3 LYS+ 20 - HA ARG+ 90 5.556% * 0.1310% (0.12 0.02 0.02) = 0.131% HB ILE 95 - HA ARG+ 90 5.556% * 0.0405% (0.04 0.02 0.02) = 0.041% Peak 2653 (1.28, 1.45, 40.44 ppm): 4 chemical-shift based assignments, quality = 0.834, support = 4.01, residual support = 120.3: O HB3 LEU 63 - HB2 LEU 63 25.000% * 95.5364% (0.83 10.0 4.16 125.82) = 95.536% kept QD1 LEU 82 - HB2 LEU 63 25.000% * 4.3181% (0.99 1.0 0.76 1.67) = 4.318% kept HD2 LYS+ 56 - HB2 LEU 63 25.000% * 0.1026% (0.89 1.0 0.02 0.50) = 0.103% QG2 THR 51 - HB2 LEU 63 25.000% * 0.0429% (0.37 1.0 0.02 0.02) = 0.043% Peak 2654 (0.56, 1.45, 40.44 ppm): 3 chemical-shift based assignments, quality = 0.793, support = 5.54, residual support = 112.2: O QD2 LEU 63 - HB2 LEU 63 33.333% * 83.5773% (0.83 10.0 5.75 125.82) = 83.577% kept QD2 LEU 22 - HB2 LEU 63 33.333% * 15.2862% (0.64 1.0 4.72 46.03) = 15.286% kept QG2 ILE 95 - HB2 LEU 63 33.333% * 1.1365% (0.31 1.0 0.74 0.66) = 1.137% kept Peak 2655 (0.33, 1.45, 40.44 ppm): 4 chemical-shift based assignments, quality = 0.95, support = 5.03, residual support = 115.2: O QD1 LEU 63 - HB2 LEU 63 25.000% * 91.1575% (0.98 10.0 5.39 125.82) = 91.157% kept QD1 ILE 24 - HB2 LEU 63 25.000% * 4.8576% (0.72 1.0 1.45 9.34) = 4.858% kept QG1 VAL 7 - HB2 LEU 63 25.000% * 3.4261% (0.56 1.0 1.32 0.61) = 3.426% kept QG1 VAL 71 - HB2 LEU 63 25.000% * 0.5588% (0.98 1.0 0.12 0.02) = 0.559% Peak 2656 (-0.46, 0.33, 26.01 ppm): 1 chemical-shift based assignment, quality = 0.645, support = 2.57, residual support = 46.0: HB3 LEU 22 - QD1 LEU 63 100.000% *100.0000% (0.65 2.57 46.03) = 100.000% kept Peak 2657 (0.58, 0.33, 26.01 ppm): 2 chemical-shift based assignments, quality = 0.96, support = 5.27, residual support = 84.4: T QD2 LEU 22 - QD1 LEU 63 50.000% * 51.9435% (1.00 1.0 10.00 4.23 46.03) = 51.943% kept O T QD2 LEU 63 - QD1 LEU 63 50.000% * 48.0565% (0.92 10.0 10.00 6.39 125.82) = 48.057% kept Peak 2658 (1.33, 0.33, 26.01 ppm): 5 chemical-shift based assignments, quality = 0.91, support = 3.18, residual support = 62.9: O T HG LEU 63 - QD1 LEU 63 20.000% * 49.0252% (0.89 10.0 10.00 5.27 125.82) = 49.025% kept T HG12 ILE 14 - QD1 LEU 63 20.000% * 36.5293% (0.99 1.0 10.00 1.35 3.04) = 36.529% kept T QG LYS+ 60 - QD1 LEU 63 20.000% * 14.3984% (0.76 1.0 10.00 0.69 0.78) = 14.398% kept QB ALA 34 - QD1 LEU 63 20.000% * 0.0375% (0.69 1.0 1.00 0.02 0.02) = 0.038% QG LYS+ 55 - QD1 LEU 63 20.000% * 0.0096% (0.17 1.0 1.00 0.02 8.82) = 0.010% Peak 2659 (1.78, 0.33, 26.01 ppm): 9 chemical-shift based assignments, quality = 0.869, support = 1.61, residual support = 4.74: HG3 ARG+ 53 - QD1 LEU 63 11.111% * 33.2979% (1.00 2.38 5.12) = 33.298% kept HD2 LYS+ 55 - QD1 LEU 63 11.111% * 20.0425% (0.96 1.49 8.82) = 20.043% kept HB3 LYS+ 20 - QD1 LEU 63 11.111% * 17.0512% (1.00 1.22 1.02) = 17.051% kept HB ILE 95 - QD1 LEU 63 11.111% * 10.4803% (0.69 1.09 0.66) = 10.480% kept HB2 LYS+ 55 - QD1 LEU 63 11.111% * 9.4766% (0.41 1.65 8.82) = 9.477% kept HB VAL 61 - QD1 LEU 63 11.111% * 4.5526% (0.49 0.67 2.42) = 4.553% kept HG LEU 82 - QD1 LEU 63 11.111% * 4.3336% (0.94 0.33 1.67) = 4.334% kept HB3 LYS+ 17 - QD1 LEU 63 11.111% * 0.5253% (0.45 0.08 0.55) = 0.525% HG LEU 42 - QD1 LEU 63 11.111% * 0.2400% (0.15 0.11 0.02) = 0.240% Peak 2660 (2.00, 0.33, 26.01 ppm): 6 chemical-shift based assignments, quality = 0.617, support = 2.02, residual support = 8.29: HB2 LYS+ 20 - QD1 LEU 63 16.667% * 43.2874% (0.98 1.55 1.02) = 43.287% kept HG3 MET 54 - QD1 LEU 63 16.667% * 30.7466% (0.41 2.63 22.10) = 30.747% kept HB2 ARG+ 53 - QD1 LEU 63 16.667% * 16.5716% (0.20 2.95 5.12) = 16.572% kept HB VAL 65 - QD1 LEU 63 16.667% * 6.9812% (0.45 0.55 2.91) = 6.981% kept HB3 GLN 83 - QD1 LEU 63 16.667% * 2.0455% (0.15 0.47 0.02) = 2.045% kept HB3 MET 1 - QD1 LEU 63 16.667% * 0.3677% (0.65 0.02 0.02) = 0.368% Peak 2661 (5.01, 0.33, 26.01 ppm): 3 chemical-shift based assignments, quality = 0.898, support = 6.0, residual support = 121.3: HA LEU 63 - QD1 LEU 63 33.333% * 96.3942% (0.92 6.21 125.82) = 96.394% kept HA VAL 94 - QD1 LEU 63 33.333% * 2.6384% (0.37 0.42 0.02) = 2.638% kept HA PHE 9 - QD1 LEU 63 33.333% * 0.9675% (0.69 0.08 0.02) = 0.967% Peak 2662 (5.31, 0.33, 26.01 ppm): 2 chemical-shift based assignments, quality = 0.341, support = 1.94, residual support = 12.5: HA VAL 52 - QD1 LEU 63 50.000% * 98.7895% (0.34 1.97 12.61) = 98.789% kept HA TYR 93 - QD1 LEU 63 50.000% * 1.2105% (0.41 0.02 0.02) = 1.211% kept Peak 2663 (1.05, 1.29, 40.44 ppm): 3 chemical-shift based assignments, quality = 0.739, support = 1.45, residual support = 4.21: HG2 LYS+ 56 - HB3 LEU 63 33.333% * 55.0833% (0.98 1.12 0.50) = 55.083% kept QG1 VAL 52 - HB3 LEU 63 33.333% * 31.1910% (0.24 2.54 12.61) = 31.191% kept HG13 ILE 85 - HB3 LEU 63 33.333% * 13.7258% (0.90 0.30 0.02) = 13.726% kept Peak 2664 (0.58, 1.29, 40.44 ppm): 2 chemical-shift based assignments, quality = 0.943, support = 4.76, residual support = 84.4: T QD2 LEU 22 - HB3 LEU 63 50.000% * 51.9435% (0.98 1.0 10.00 3.65 46.03) = 51.943% kept O T QD2 LEU 63 - HB3 LEU 63 50.000% * 48.0565% (0.90 10.0 10.00 5.95 125.82) = 48.057% kept Peak 2665 (0.32, 1.29, 40.44 ppm): 4 chemical-shift based assignments, quality = 0.757, support = 4.54, residual support = 99.8: O QD1 LEU 63 - HB3 LEU 63 25.000% * 78.1771% (0.82 10.0 1.00 5.54 125.82) = 78.177% kept T QD1 ILE 24 - HB3 LEU 63 25.000% * 15.2918% (0.44 1.0 10.00 0.73 9.34) = 15.292% kept QG1 VAL 7 - HB3 LEU 63 25.000% * 6.0518% (0.82 1.0 1.00 1.55 0.61) = 6.052% kept QG1 VAL 71 - HB3 LEU 63 25.000% * 0.4792% (0.82 1.0 1.00 0.12 0.02) = 0.479% Peak 2666 (5.01, 1.29, 40.44 ppm): 3 chemical-shift based assignments, quality = 0.902, support = 5.72, residual support = 125.4: O T HA LEU 63 - HB3 LEU 63 33.333% * 99.6490% (0.90 10.0 10.00 5.74 125.82) = 99.649% kept HA PHE 9 - HB3 LEU 63 33.333% * 0.3105% (0.67 1.0 1.00 0.08 0.02) = 0.310% HA VAL 94 - HB3 LEU 63 33.333% * 0.0405% (0.37 1.0 1.00 0.02 0.02) = 0.041% Peak 2667 (0.32, 1.34, 26.65 ppm): 12 chemical-shift based assignments, quality = 0.674, support = 3.91, residual support = 87.4: O T QD1 LEU 63 - HG LEU 63 8.333% * 67.9153% (0.82 10.0 10.00 5.27 125.82) = 67.915% kept T QD1 ILE 24 - HG LEU 63 8.333% * 16.6446% (0.44 1.0 10.00 0.91 9.34) = 16.645% kept T QD1 LEU 63 - HG12 ILE 14 8.333% * 10.9093% (0.20 1.0 10.00 1.35 3.04) = 10.909% kept QG1 VAL 7 - HG LEU 63 8.333% * 2.9287% (0.82 1.0 1.00 0.86 0.61) = 2.929% kept QG1 VAL 7 - HG12 ILE 14 8.333% * 0.6477% (0.20 1.0 1.00 0.80 2.96) = 0.648% QG1 VAL 71 - HG LEU 63 8.333% * 0.5281% (0.82 1.0 1.00 0.16 0.02) = 0.528% T QD1 LEU 63 - QG LYS+ 60 8.333% * 0.1861% (0.22 1.0 10.00 0.02 0.78) = 0.186% T QD1 ILE 24 - QG LYS+ 60 8.333% * 0.0999% (0.12 1.0 10.00 0.02 0.02) = 0.100% T QD1 ILE 24 - HG12 ILE 14 8.333% * 0.0869% (0.10 1.0 10.00 0.02 0.62) = 0.087% QG1 VAL 71 - QG LYS+ 60 8.333% * 0.0186% (0.22 1.0 1.00 0.02 1.81) = 0.019% QG1 VAL 7 - QG LYS+ 60 8.333% * 0.0186% (0.22 1.0 1.00 0.02 0.02) = 0.019% QG1 VAL 71 - HG12 ILE 14 8.333% * 0.0162% (0.20 1.0 1.00 0.02 0.02) = 0.016% Peak 2668 (0.58, 1.34, 26.65 ppm): 6 chemical-shift based assignments, quality = 0.904, support = 5.2, residual support = 119.7: O QD2 LEU 63 - HG LEU 63 16.667% * 92.6705% (0.90 10.0 5.51 125.82) = 92.670% kept QD2 LEU 22 - HG LEU 63 16.667% * 6.6541% (0.98 1.0 1.33 46.03) = 6.654% kept QD2 LEU 63 - HG12 ILE 14 16.667% * 0.5987% (0.22 1.0 0.54 3.04) = 0.599% QD2 LEU 22 - QG LYS+ 60 16.667% * 0.0275% (0.27 1.0 0.02 0.02) = 0.027% QD2 LEU 63 - QG LYS+ 60 16.667% * 0.0254% (0.25 1.0 0.02 0.78) = 0.025% QD2 LEU 22 - HG12 ILE 14 16.667% * 0.0239% (0.23 1.0 0.02 0.02) = 0.024% Peak 2669 (1.07, 1.34, 26.65 ppm): 9 chemical-shift based assignments, quality = 0.669, support = 1.7, residual support = 8.31: QG1 VAL 52 - HG LEU 63 11.111% * 63.7540% (0.78 2.34 12.61) = 63.754% kept HG2 LYS+ 56 - HG LEU 63 11.111% * 12.7577% (0.55 0.66 0.50) = 12.758% kept HG13 ILE 85 - HG LEU 63 11.111% * 8.7603% (0.82 0.31 0.02) = 8.760% kept QG1 VAL 52 - HG12 ILE 14 11.111% * 6.3140% (0.19 0.97 2.01) = 6.314% kept HG13 ILE 85 - HG12 ILE 14 11.111% * 3.1808% (0.20 0.47 0.16) = 3.181% kept HG2 LYS+ 56 - HG12 ILE 14 11.111% * 2.8536% (0.13 0.62 2.54) = 2.854% kept QG1 VAL 52 - QG LYS+ 60 11.111% * 2.1182% (0.22 0.28 0.02) = 2.118% kept HG13 ILE 85 - QG LYS+ 60 11.111% * 0.1558% (0.22 0.02 0.52) = 0.156% HG2 LYS+ 56 - QG LYS+ 60 11.111% * 0.1056% (0.15 0.02 0.02) = 0.106% Peak 2670 (6.12, 0.33, 26.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2671 (6.60, 0.33, 26.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2672 (6.77, 0.33, 26.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2673 (7.01, 0.33, 26.01 ppm): 1 chemical-shift based assignment, quality = 0.154, support = 0.387, residual support = 1.33: HE ARG+ 90 - QD1 LEU 63 100.000% *100.0000% (0.15 0.39 1.33) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2674 (8.08, 0.33, 26.01 ppm): 4 chemical-shift based assignments, quality = 0.949, support = 3.44, residual support = 31.5: HN LEU 22 - QD1 LEU 63 25.000% * 61.5195% (0.98 4.88 46.03) = 61.520% kept HN ASP- 89 - QD1 LEU 63 25.000% * 14.3150% (1.00 1.11 1.72) = 14.315% kept HN MET 54 - QD1 LEU 63 25.000% * 13.1689% (0.72 1.41 22.10) = 13.169% kept HN ARG+ 48 - QD1 LEU 63 25.000% * 10.9966% (0.99 0.86 0.25) = 10.997% kept Peak 2675 (8.91, 0.33, 26.01 ppm): 4 chemical-shift based assignments, quality = 0.915, support = 5.1, residual support = 102.7: HN LEU 63 - QD1 LEU 63 25.000% * 81.4183% (0.94 6.04 125.82) = 81.418% kept HN GLU- 16 - QD1 LEU 63 25.000% * 13.4611% (0.92 1.02 1.15) = 13.461% kept HN VAL 65 - QD1 LEU 63 25.000% * 5.0413% (0.45 0.79 2.91) = 5.041% kept HN ASP- 41 - QD1 LEU 63 25.000% * 0.0792% (0.28 0.02 0.02) = 0.079% Peak 2676 (8.91, 1.29, 40.44 ppm): 4 chemical-shift based assignments, quality = 0.917, support = 5.36, residual support = 117.7: O HN LEU 63 - HB3 LEU 63 25.000% * 93.5056% (0.93 10.0 5.66 125.82) = 93.506% kept HN GLU- 16 - HB3 LEU 63 25.000% * 5.5532% (0.90 1.0 1.22 1.15) = 5.553% kept HN VAL 65 - HB3 LEU 63 25.000% * 0.9138% (0.44 1.0 0.41 2.91) = 0.914% HN ASP- 41 - HB3 LEU 63 25.000% * 0.0275% (0.27 1.0 0.02 0.02) = 0.027% Peak 2677 (8.90, 1.45, 40.44 ppm): 5 chemical-shift based assignments, quality = 0.942, support = 5.25, residual support = 116.7: O HN LEU 63 - HB2 LEU 63 20.000% * 92.2376% (0.98 10.0 5.50 125.82) = 92.238% kept HN PHE 62 - HB2 LEU 63 20.000% * 3.9159% (0.25 1.0 3.38 14.29) = 3.916% kept HN GLU- 16 - HB2 LEU 63 20.000% * 3.8114% (0.68 1.0 1.19 1.15) = 3.811% kept HN VAL 65 - HB2 LEU 63 20.000% * 0.0207% (0.22 1.0 0.02 2.91) = 0.021% HN GLY 79 - HB2 LEU 63 20.000% * 0.0144% (0.15 1.0 0.02 0.02) = 0.014% Peak 2678 (-0.50, 1.45, 40.44 ppm): 1 chemical-shift based assignment, quality = 0.153, support = 3.32, residual support = 46.0: T HB3 LEU 22 - HB2 LEU 63 100.000% *100.0000% (0.15 10.00 3.32 46.03) = 100.000% kept Peak 2679 (2.02, 0.57, 23.09 ppm): 14 chemical-shift based assignments, quality = 0.8, support = 3.3, residual support = 10.5: T HG3 MET 54 - QD2 LEU 63 7.143% * 22.2312% (0.97 10.00 4.36 22.10) = 22.231% kept T HG3 MET 54 - QD2 LEU 22 7.143% * 21.9855% (0.96 10.00 4.29 13.92) = 21.986% kept T HB2 ARG+ 53 - QD2 LEU 63 7.143% * 18.1609% (0.79 10.00 3.50 5.12) = 18.161% kept T HB2 ARG+ 53 - QD2 LEU 22 7.143% * 17.9603% (0.78 10.00 2.32 2.84) = 17.960% kept T HB VAL 52 - QD2 LEU 63 7.143% * 7.7364% (0.34 10.00 2.68 12.61) = 7.736% kept T HB VAL 52 - QD2 LEU 22 7.143% * 6.4349% (0.33 10.00 1.68 2.49) = 6.435% kept T HB3 MET 1 - QD2 LEU 63 7.143% * 4.1130% (0.97 10.00 0.37 0.02) = 4.113% kept HB2 LYS+ 20 - QD2 LEU 63 7.143% * 0.8357% (0.64 1.00 1.14 1.02) = 0.836% T HB3 MET 1 - QD2 LEU 22 7.143% * 0.2199% (0.96 10.00 0.02 0.02) = 0.220% HB2 LYS+ 20 - QD2 LEU 22 7.143% * 0.2010% (0.63 1.00 0.28 1.34) = 0.201% HG2 PRO 33 - QD2 LEU 63 7.143% * 0.0976% (0.48 1.00 0.18 0.02) = 0.098% HG2 PRO 33 - QD2 LEU 22 7.143% * 0.0109% (0.48 1.00 0.02 0.02) = 0.011% HB ILE 38 - QD2 LEU 63 7.143% * 0.0063% (0.28 1.00 0.02 0.84) = 0.006% HB ILE 38 - QD2 LEU 22 7.143% * 0.0062% (0.27 1.00 0.02 0.02) = 0.006% Peak 2680 (2.55, 0.57, 23.09 ppm): 14 chemical-shift based assignments, quality = 0.484, support = 1.31, residual support = 5.85: QB PHE 62 - QD2 LEU 63 7.143% * 33.7243% (0.28 3.01 14.29) = 33.724% kept HE2 LYS+ 56 - QD2 LEU 22 7.143% * 16.9961% (0.48 0.87 5.47) = 16.996% kept HB3 TYR 81 - QD2 LEU 22 7.143% * 13.1689% (0.75 0.43 0.02) = 13.169% kept HB3 TYR 81 - QD2 LEU 63 7.143% * 8.3635% (0.76 0.27 0.02) = 8.364% kept HE2 LYS+ 56 - QD2 LEU 63 7.143% * 6.2406% (0.48 0.32 0.50) = 6.241% kept QB PHE 62 - QD2 LEU 22 7.143% * 6.1041% (0.27 0.55 1.05) = 6.104% kept HB3 ASN 75 - QD2 LEU 22 7.143% * 5.2412% (0.75 0.17 0.02) = 5.241% kept HB3 ASN 75 - QD2 LEU 63 7.143% * 5.0413% (0.76 0.16 0.02) = 5.041% kept HB3 ASP- 41 - QD2 LEU 63 7.143% * 2.8157% (0.86 0.08 0.02) = 2.816% kept HB3 ASP- 41 - QD2 LEU 22 7.143% * 0.6924% (0.85 0.02 0.02) = 0.692% HG3 MET 1 - QD2 LEU 63 7.143% * 0.5861% (0.72 0.02 0.02) = 0.586% HG3 MET 1 - QD2 LEU 22 7.143% * 0.5796% (0.71 0.02 0.02) = 0.580% HB3 PHE 13 - QD2 LEU 63 7.143% * 0.2244% (0.28 0.02 0.02) = 0.224% HB3 PHE 13 - QD2 LEU 22 7.143% * 0.2219% (0.27 0.02 0.02) = 0.222% Peak 2681 (0.33, 0.57, 23.09 ppm): 8 chemical-shift based assignments, quality = 0.926, support = 4.86, residual support = 74.8: O T QD1 LEU 63 - QD2 LEU 63 12.500% * 43.3367% (0.97 10.0 10.00 6.39 125.82) = 43.337% kept T QD1 LEU 63 - QD2 LEU 22 12.500% * 42.8579% (0.96 1.0 10.00 4.23 46.03) = 42.858% kept QD1 ILE 24 - QD2 LEU 63 12.500% * 4.7289% (0.68 1.0 1.00 3.11 9.34) = 4.729% kept QG1 VAL 71 - QD2 LEU 22 12.500% * 3.1233% (0.96 1.0 1.00 1.46 0.63) = 3.123% kept QG1 VAL 7 - QD2 LEU 63 12.500% * 2.5944% (0.60 1.0 1.00 1.93 0.61) = 2.594% kept QD1 ILE 24 - QD2 LEU 22 12.500% * 2.3418% (0.67 1.0 1.00 1.56 3.21) = 2.342% kept QG1 VAL 71 - QD2 LEU 63 12.500% * 0.9904% (0.97 1.0 1.00 0.46 0.02) = 0.990% QG1 VAL 7 - QD2 LEU 22 12.500% * 0.0265% (0.59 1.0 1.00 0.02 0.02) = 0.027% Peak 2682 (-0.05, 0.57, 23.09 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2683 (-0.21, 0.57, 23.09 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2684 (-0.45, 0.57, 23.09 ppm): 2 chemical-shift based assignments, quality = 0.405, support = 5.64, residual support = 108.8: T HB3 LEU 22 - QD2 LEU 63 50.000% * 50.2778% (0.41 1.0 10.00 4.98 46.03) = 50.278% kept O T HB3 LEU 22 - QD2 LEU 22 50.000% * 49.7222% (0.40 10.0 10.00 6.30 172.34) = 49.722% kept Peak 2685 (-0.75, 0.57, 23.09 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2686 (5.01, 0.57, 23.09 ppm): 6 chemical-shift based assignments, quality = 0.822, support = 4.68, residual support = 96.1: T HA LEU 63 - QD2 LEU 63 16.667% * 62.9497% (0.83 10.00 6.74 125.82) = 62.950% kept T HA LEU 63 - QD2 LEU 22 16.667% * 36.7877% (0.82 10.00 1.18 46.03) = 36.788% kept HA PHE 9 - QD2 LEU 63 16.667% * 0.1787% (0.56 1.00 0.08 0.02) = 0.179% HA PHE 9 - QD2 LEU 22 16.667% * 0.0422% (0.55 1.00 0.02 0.02) = 0.042% HA VAL 94 - QD2 LEU 63 16.667% * 0.0210% (0.28 1.00 0.02 0.02) = 0.021% HA VAL 94 - QD2 LEU 22 16.667% * 0.0207% (0.27 1.00 0.02 1.81) = 0.021% Peak 2687 (5.42, 0.57, 23.09 ppm): 2 chemical-shift based assignments, quality = 0.219, support = 4.4, residual support = 18.0: T HA MET 54 - QD2 LEU 63 50.000% * 50.2778% (0.22 10.00 5.13 22.10) = 50.278% kept T HA MET 54 - QD2 LEU 22 50.000% * 49.7222% (0.22 10.00 3.65 13.92) = 49.722% kept Peak 2688 (9.28, 0.58, 23.09 ppm): 8 chemical-shift based assignments, quality = 0.659, support = 3.75, residual support = 5.25: HN LYS+ 55 - QD2 LEU 63 12.500% * 46.3364% (0.62 6.23 8.82) = 46.336% kept HN LYS+ 55 - QD2 LEU 22 12.500% * 21.7282% (0.68 2.64 4.04) = 21.728% kept HN LEU 43 - QD2 LEU 22 12.500% * 9.8156% (0.86 0.95 1.53) = 9.816% kept HN LEU 43 - QD2 LEU 63 12.500% * 9.5633% (0.78 1.02 0.10) = 9.563% kept HN ARG+ 90 - QD2 LEU 22 12.500% * 6.0878% (0.41 1.24 1.75) = 6.088% kept HN GLN 83 - QD2 LEU 63 12.500% * 3.5979% (0.69 0.43 0.02) = 3.598% kept HN GLN 83 - QD2 LEU 22 12.500% * 1.8368% (0.76 0.20 0.02) = 1.837% kept HN ARG+ 90 - QD2 LEU 63 12.500% * 1.0339% (0.37 0.23 1.33) = 1.034% kept Peak 2689 (8.78, 0.57, 23.09 ppm): 4 chemical-shift based assignments, quality = 0.837, support = 3.32, residual support = 6.74: HN ARG+ 53 - QD2 LEU 63 25.000% * 39.6774% (0.98 3.23 5.12) = 39.677% kept HN ARG+ 53 - QD2 LEU 22 25.000% * 39.5601% (0.97 3.26 2.84) = 39.560% kept HN THR 64 - QD2 LEU 63 25.000% * 16.3131% (0.31 4.26 20.48) = 16.313% kept HN THR 64 - QD2 LEU 22 25.000% * 4.4494% (0.30 1.18 5.48) = 4.449% kept Peak 2690 (8.89, 0.57, 23.09 ppm): 8 chemical-shift based assignments, quality = 0.604, support = 4.16, residual support = 63.3: HN LEU 63 - QD2 LEU 63 12.500% * 40.6324% (0.60 6.30 125.82) = 40.632% kept HN PHE 62 - QD2 LEU 63 12.500% * 26.0696% (0.72 3.38 14.29) = 26.070% kept HN LEU 63 - QD2 LEU 22 12.500% * 18.0683% (0.59 2.83 46.03) = 18.068% kept HN PHE 62 - QD2 LEU 22 12.500% * 6.3654% (0.71 0.83 1.05) = 6.365% kept HN GLU- 16 - QD2 LEU 63 12.500% * 4.4743% (0.22 1.89 1.15) = 4.474% kept HN GLU- 16 - QD2 LEU 22 12.500% * 4.1506% (0.22 1.77 1.20) = 4.151% kept HN GLY 79 - QD2 LEU 63 12.500% * 0.1204% (0.56 0.02 0.02) = 0.120% HN GLY 79 - QD2 LEU 22 12.500% * 0.1190% (0.55 0.02 0.02) = 0.119% Peak 2691 (1.72, 0.99, 23.42 ppm): 9 chemical-shift based assignments, quality = 0.715, support = 0.903, residual support = 5.96: T HG12 ILE 38 - QG2 THR 64 11.111% * 84.9606% (0.72 10.00 0.99 6.58) = 84.961% kept QB GLU- 30 - QG2 THR 64 11.111% * 6.0793% (0.83 1.00 0.62 1.76) = 6.079% kept HB2 ARG+ 48 - QG2 THR 64 11.111% * 2.4843% (0.61 1.00 0.35 0.22) = 2.484% kept HB2 GLU- 23 - QG2 THR 64 11.111% * 1.9972% (0.99 1.00 0.17 0.02) = 1.997% kept HD3 LYS+ 55 - QG2 THR 64 11.111% * 1.9633% (0.31 1.00 0.54 12.69) = 1.963% kept T QD LYS+ 60 - QG2 THR 64 11.111% * 1.3365% (0.56 10.00 0.02 0.02) = 1.337% kept HG LEU 26 - QG2 THR 64 11.111% * 0.8054% (0.65 1.00 0.11 0.02) = 0.805% HB ILE 14 - QG2 THR 64 11.111% * 0.3208% (0.20 1.00 0.14 0.44) = 0.321% HB3 PRO 25 - QG2 THR 64 11.111% * 0.0526% (0.22 1.00 0.02 0.02) = 0.053% Peak 2692 (2.50, 0.99, 23.42 ppm): 3 chemical-shift based assignments, quality = 0.542, support = 2.14, residual support = 3.59: T HB2 ARG+ 90 - QG2 THR 64 33.333% * 70.3547% (0.61 10.00 2.49 4.33) = 70.355% kept T QB PHE 62 - QG2 THR 64 33.333% * 27.2611% (0.34 10.00 1.38 2.01) = 27.261% kept HG2 GLU- 68 - QG2 THR 64 33.333% * 2.3841% (0.96 1.00 0.43 0.02) = 2.384% kept Peak 2693 (3.85, 0.99, 23.42 ppm): 5 chemical-shift based assignments, quality = 0.728, support = 1.11, residual support = 1.17: HA SER 15 - QG2 THR 64 20.000% * 48.8306% (0.83 1.15 0.98) = 48.831% kept HB3 SER 21 - QG2 THR 64 20.000% * 24.6746% (0.25 1.95 2.81) = 24.675% kept HA GLU- 68 - QG2 THR 64 20.000% * 13.3794% (1.00 0.26 0.02) = 13.379% kept HA2 GLY 27 - QG2 THR 64 20.000% * 12.7694% (0.99 0.25 0.02) = 12.769% kept HA MET 101 - QG2 THR 64 20.000% * 0.3460% (0.34 0.02 0.02) = 0.346% Peak 2694 (4.44, 0.99, 23.42 ppm): 5 chemical-shift based assignments, quality = 0.825, support = 2.33, residual support = 9.69: O HB THR 64 - QG2 THR 64 20.000% * 98.9625% (0.83 10.0 2.35 9.80) = 98.962% kept HA TRP 67 - QG2 THR 64 20.000% * 0.7909% (0.99 1.0 0.13 0.02) = 0.791% HA1 GLY 98 - QG2 THR 64 20.000% * 0.1143% (0.96 1.0 0.02 0.02) = 0.114% HA GLU- 6 - QG2 THR 64 20.000% * 0.1028% (0.87 1.0 0.02 0.17) = 0.103% HA TYR 31 - QG2 THR 64 20.000% * 0.0295% (0.25 1.0 0.02 0.02) = 0.030% Peak 2695 (4.76, 0.99, 23.42 ppm): 4 chemical-shift based assignments, quality = 0.495, support = 3.16, residual support = 9.28: O HA THR 64 - QG2 THR 64 25.000% * 74.8228% (0.37 10.0 3.73 9.80) = 74.823% kept HA LYS+ 55 - QG2 THR 64 25.000% * 14.9571% (0.89 1.0 1.67 12.69) = 14.957% kept HA ILE 85 - QG2 THR 64 25.000% * 9.7278% (0.83 1.0 1.17 0.51) = 9.728% kept HA ALA 34 - QG2 THR 64 25.000% * 0.4923% (0.20 1.0 0.25 0.02) = 0.492% Peak 2696 (5.01, 0.99, 23.42 ppm): 3 chemical-shift based assignments, quality = 0.615, support = 4.37, residual support = 18.8: HA LEU 63 - QG2 THR 64 33.333% * 91.6916% (0.65 4.72 20.48) = 91.692% kept HA PHE 9 - QG2 THR 64 33.333% * 4.6865% (0.37 0.42 0.02) = 4.686% kept HA VAL 94 - QG2 THR 64 33.333% * 3.6220% (0.15 0.78 0.02) = 3.622% kept Peak 2698 (6.93, 0.99, 23.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2699 (8.08, 0.99, 23.42 ppm): 4 chemical-shift based assignments, quality = 0.945, support = 2.21, residual support = 3.15: HN LEU 22 - QG2 THR 64 25.000% * 38.2580% (0.94 2.89 5.48) = 38.258% kept HN ASP- 89 - QG2 THR 64 25.000% * 32.4485% (0.99 2.34 0.79) = 32.448% kept HN MET 54 - QG2 THR 64 25.000% * 14.6839% (0.80 1.31 5.20) = 14.684% kept HN ARG+ 48 - QG2 THR 64 25.000% * 14.6096% (1.00 1.05 0.22) = 14.610% kept Peak 2700 (8.81, 0.99, 23.42 ppm): 2 chemical-shift based assignments, quality = 0.486, support = 0.543, residual support = 0.507: HN PHE 84 - QG2 THR 64 50.000% * 55.1271% (0.61 0.45 0.31) = 55.127% kept HN ARG+ 53 - QG2 THR 64 50.000% * 44.8729% (0.34 0.65 0.75) = 44.873% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2701 (8.91, 0.99, 23.42 ppm): 4 chemical-shift based assignments, quality = 0.805, support = 3.47, residual support = 13.6: HN LEU 63 - QG2 THR 64 25.000% * 54.9189% (0.87 4.69 20.48) = 54.919% kept HN GLU- 16 - QG2 THR 64 25.000% * 20.3060% (0.98 1.54 0.50) = 20.306% kept HN VAL 65 - QG2 THR 64 25.000% * 20.2895% (0.56 2.66 11.28) = 20.289% kept HN ASP- 41 - QG2 THR 64 25.000% * 4.4857% (0.37 0.89 0.02) = 4.486% kept Peak 2702 (9.27, 0.99, 23.42 ppm): 4 chemical-shift based assignments, quality = 0.695, support = 2.71, residual support = 8.76: HN LYS+ 55 - QG2 THR 64 25.000% * 62.1440% (0.72 3.64 12.69) = 62.144% kept HN ARG+ 90 - QG2 THR 64 25.000% * 17.9222% (0.45 1.70 4.33) = 17.922% kept HN LEU 43 - QG2 THR 64 25.000% * 16.2323% (0.83 0.83 0.54) = 16.232% kept HN GLN 83 - QG2 THR 64 25.000% * 3.7015% (0.80 0.20 0.22) = 3.701% kept Peak 2703 (4.77, 3.89, 65.70 ppm): 3 chemical-shift based assignments, quality = 0.733, support = 3.61, residual support = 10.1: HA THR 64 - HA VAL 65 33.333% * 89.3089% (0.76 3.99 11.28) = 89.309% kept HA LYS+ 55 - HA VAL 65 33.333% * 5.6817% (0.52 0.37 0.02) = 5.682% kept HA ILE 85 - HA VAL 65 33.333% * 5.0094% (0.45 0.38 0.02) = 5.009% kept Peak 2704 (5.03, 3.89, 65.70 ppm): 3 chemical-shift based assignments, quality = 0.883, support = 1.31, residual support = 1.53: HA LEU 63 - HA VAL 65 33.333% * 39.8546% (0.76 1.70 2.91) = 39.855% kept HA VAL 94 - HA VAL 65 33.333% * 36.2934% (0.96 1.22 0.83) = 36.293% kept HA PHE 9 - HA VAL 65 33.333% * 23.8520% (0.96 0.80 0.32) = 23.852% kept Peak 2705 (1.98, 1.14, 62.58 ppm): 4 chemical-shift based assignments, quality = 0.984, support = 3.74, residual support = 46.0: O HB VAL 65 - QG2 VAL 65 25.000% * 98.1750% (0.99 10.0 3.81 46.86) = 98.175% kept HB3 GLN 83 - QG2 VAL 65 25.000% * 1.7607% (0.76 1.0 0.47 0.02) = 1.761% kept HB2 LYS+ 20 - QG2 VAL 65 25.000% * 0.0369% (0.37 1.0 0.02 0.15) = 0.037% HB3 GLU- 77 - QG2 VAL 65 25.000% * 0.0274% (0.28 1.0 0.02 0.02) = 0.027% Peak 2706 (1.98, 1.23, 63.23 ppm): 4 chemical-shift based assignments, quality = 0.988, support = 3.07, residual support = 46.8: O HB VAL 65 - QG1 VAL 65 25.000% * 99.8581% (0.99 10.0 3.08 46.86) = 99.858% kept HB3 GLN 83 - QG1 VAL 65 25.000% * 0.0765% (0.76 1.0 0.02 0.02) = 0.076% HB2 LYS+ 20 - QG1 VAL 65 25.000% * 0.0376% (0.37 1.0 0.02 0.15) = 0.038% HB3 GLU- 77 - QG1 VAL 65 25.000% * 0.0278% (0.28 1.0 0.02 0.02) = 0.028% Peak 2707 (3.88, 1.14, 62.58 ppm): 5 chemical-shift based assignments, quality = 0.786, support = 4.62, residual support = 45.3: O T HA VAL 65 - QG2 VAL 65 20.000% * 96.6881% (0.79 10.0 10.00 4.76 46.86) = 96.688% kept HB2 SER 21 - QG2 VAL 65 20.000% * 3.1064% (0.60 1.0 1.00 0.85 0.79) = 3.106% kept HA MET 101 - QG2 VAL 65 20.000% * 0.0877% (0.72 1.0 1.00 0.02 0.02) = 0.088% QD PRO 12 - QG2 VAL 65 20.000% * 0.0877% (0.72 1.0 1.00 0.02 0.02) = 0.088% HA SER 15 - QG2 VAL 65 20.000% * 0.0301% (0.25 1.0 1.00 0.02 0.17) = 0.030% Peak 2708 (3.88, 1.23, 63.23 ppm): 5 chemical-shift based assignments, quality = 0.781, support = 3.34, residual support = 45.2: O T HA VAL 65 - QG1 VAL 65 20.000% * 96.4562% (0.79 10.0 10.00 3.44 46.86) = 96.456% kept HB2 SER 21 - QG1 VAL 65 20.000% * 2.0523% (0.60 1.0 1.00 0.56 0.79) = 2.052% kept HA SER 15 - QG1 VAL 65 20.000% * 1.3166% (0.25 1.0 1.00 0.88 0.17) = 1.317% kept HA MET 101 - QG1 VAL 65 20.000% * 0.0875% (0.72 1.0 1.00 0.02 0.02) = 0.087% QD PRO 12 - QG1 VAL 65 20.000% * 0.0875% (0.72 1.0 1.00 0.02 0.02) = 0.087% Peak 2709 (1.14, 1.23, 63.23 ppm): 7 chemical-shift based assignments, quality = 0.882, support = 3.31, residual support = 44.5: O T QG2 VAL 65 - QG1 VAL 65 14.286% * 94.8553% (0.89 10.0 10.00 3.43 46.86) = 94.855% kept QG2 ILE 38 - QG1 VAL 65 14.286% * 4.9097% (0.79 1.0 1.00 1.16 0.11) = 4.910% kept HG3 ARG+ 88 - QG1 VAL 65 14.286% * 0.1055% (0.99 1.0 1.00 0.02 0.02) = 0.106% HG13 ILE 95 - QG1 VAL 65 14.286% * 0.0515% (0.48 1.0 1.00 0.02 0.02) = 0.051% HG3 ARG+ 48 - QG1 VAL 65 14.286% * 0.0361% (0.34 1.0 1.00 0.02 0.02) = 0.036% HG13 ILE 14 - QG1 VAL 65 14.286% * 0.0209% (0.20 1.0 1.00 0.02 0.02) = 0.021% HB3 LEU 43 - QG1 VAL 65 14.286% * 0.0209% (0.20 1.0 1.00 0.02 0.02) = 0.021% Peak 2710 (1.22, 1.14, 62.58 ppm): 8 chemical-shift based assignments, quality = 0.942, support = 3.35, residual support = 45.6: O T QG1 VAL 65 - QG2 VAL 65 12.500% * 97.1983% (0.96 10.0 10.00 3.43 46.86) = 97.198% kept QE MET 54 - QG2 VAL 65 12.500% * 2.2650% (0.52 1.0 1.00 0.85 0.39) = 2.265% kept HB3 LYS+ 56 - QG2 VAL 65 12.500% * 0.2944% (0.68 1.0 1.00 0.09 0.02) = 0.294% HB3 LEU 42 - QG2 VAL 65 12.500% * 0.1005% (0.99 1.0 1.00 0.02 0.02) = 0.100% HG3 GLU- 23 - QG2 VAL 65 12.500% * 0.0731% (0.72 1.0 1.00 0.02 0.02) = 0.073% HB3 LEU 82 - QG2 VAL 65 12.500% * 0.0311% (0.31 1.0 1.00 0.02 0.02) = 0.031% QG2 THR 39 - QG2 VAL 65 12.500% * 0.0199% (0.20 1.0 1.00 0.02 0.69) = 0.020% QG2 THR 4 - QG2 VAL 65 12.500% * 0.0176% (0.17 1.0 1.00 0.02 0.02) = 0.018% Peak 2711 (4.77, 1.14, 62.58 ppm): 3 chemical-shift based assignments, quality = 0.742, support = 3.24, residual support = 10.8: HA THR 64 - QG2 VAL 65 33.333% * 95.6652% (0.76 3.37 11.28) = 95.665% kept HA ILE 85 - QG2 VAL 65 33.333% * 3.9444% (0.44 0.24 0.02) = 3.944% kept HA LYS+ 55 - QG2 VAL 65 33.333% * 0.3903% (0.52 0.02 0.02) = 0.390% Peak 2712 (5.05, 1.14, 62.58 ppm): 5 chemical-shift based assignments, quality = 0.335, support = 1.88, residual support = 3.23: HA1 GLY 66 - QG2 VAL 65 20.000% * 52.9827% (0.31 2.63 5.52) = 52.983% kept HA VAL 94 - QG2 VAL 65 20.000% * 33.0499% (0.44 1.13 0.83) = 33.050% kept HA PHE 9 - QG2 VAL 65 20.000% * 12.0978% (0.20 0.94 0.32) = 12.098% kept HA LYS+ 56 - QG2 VAL 65 20.000% * 1.2351% (0.22 0.09 0.02) = 1.235% kept HA LYS+ 80 - QG2 VAL 65 20.000% * 0.6345% (0.48 0.02 0.02) = 0.635% Peak 2713 (5.28, 1.14, 62.58 ppm): 5 chemical-shift based assignments, quality = 0.834, support = 0.938, residual support = 0.546: HA PHE 62 - QG2 VAL 65 20.000% * 57.6167% (0.97 1.12 0.53) = 57.617% kept HA THR 39 - QG2 VAL 65 20.000% * 29.5382% (0.60 0.93 0.69) = 29.538% kept HA TYR 93 - QG2 VAL 65 20.000% * 6.7747% (0.86 0.15 0.02) = 6.775% kept HA VAL 52 - QG2 VAL 65 20.000% * 3.6692% (0.91 0.08 0.92) = 3.669% kept HA ARG+ 90 - QG2 VAL 65 20.000% * 2.4012% (0.22 0.21 0.02) = 2.401% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2714 (8.11, 3.89, 65.70 ppm): 2 chemical-shift based assignments, quality = 0.362, support = 0.434, residual support = 0.201: HN LEU 22 - HA VAL 65 50.000% * 63.3692% (0.20 0.62 0.31) = 63.369% kept HN ARG+ 48 - HA VAL 65 50.000% * 36.6308% (0.65 0.11 0.02) = 36.631% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2715 (8.89, 3.89, 65.70 ppm): 4 chemical-shift based assignments, quality = 0.761, support = 1.92, residual support = 2.33: HN LEU 63 - HA VAL 65 25.000% * 69.2250% (0.89 2.29 2.91) = 69.225% kept HN GLU- 16 - HA VAL 65 25.000% * 21.0919% (0.49 1.28 1.27) = 21.092% kept HN PHE 62 - HA VAL 65 25.000% * 9.4953% (0.41 0.68 0.53) = 9.495% kept HN GLY 79 - HA VAL 65 25.000% * 0.1878% (0.28 0.02 0.02) = 0.188% Peak 2716 (9.42, 3.89, 65.70 ppm): 2 chemical-shift based assignments, quality = 0.617, support = 1.48, residual support = 2.74: HN TYR 97 - HA VAL 65 50.000% * 57.5879% (0.69 1.50 2.52) = 57.588% kept HN GLU- 68 - HA VAL 65 50.000% * 42.4121% (0.52 1.44 3.03) = 42.412% kept Peak 2717 (9.19, 3.89, 65.70 ppm): 1 chemical-shift based assignment, quality = 0.978, support = 1.39, residual support = 1.39: HN TYR 81 - HA VAL 65 100.000% *100.0000% (0.98 1.39 1.39) = 100.000% kept Peak 2718 (8.92, 1.23, 63.23 ppm): 4 chemical-shift based assignments, quality = 0.813, support = 2.41, residual support = 28.7: HN VAL 65 - QG1 VAL 65 25.000% * 59.5843% (0.83 3.25 46.86) = 59.584% kept HN GLU- 16 - QG1 VAL 65 25.000% * 22.0734% (0.96 1.04 1.27) = 22.073% kept HN LEU 63 - QG1 VAL 65 25.000% * 18.0586% (0.60 1.36 2.91) = 18.059% kept HN ASP- 41 - QG1 VAL 65 25.000% * 0.2837% (0.64 0.02 0.02) = 0.284% Peak 2719 (9.42, 1.23, 63.23 ppm): 2 chemical-shift based assignments, quality = 0.86, support = 1.46, residual support = 2.75: HN TYR 97 - QG1 VAL 65 50.000% * 54.8683% (0.91 1.50 2.52) = 54.868% kept HN GLU- 68 - QG1 VAL 65 50.000% * 45.1317% (0.79 1.42 3.03) = 45.132% kept Peak 2720 (8.92, 1.14, 62.58 ppm): 4 chemical-shift based assignments, quality = 0.845, support = 3.83, residual support = 32.8: HN VAL 65 - QG2 VAL 65 25.000% * 68.5177% (0.98 4.60 46.86) = 68.518% kept HN GLU- 16 - QG2 VAL 65 25.000% * 15.8851% (0.76 1.38 1.27) = 15.885% kept HN LEU 63 - QG2 VAL 65 25.000% * 15.3273% (0.34 2.99 2.91) = 15.327% kept HN ASP- 41 - QG2 VAL 65 25.000% * 0.2698% (0.89 0.02 0.02) = 0.270% Peak 2721 (8.84, 1.14, 62.58 ppm): 1 chemical-shift based assignment, quality = 0.641, support = 0.373, residual support = 0.373: HN PHE 84 - QG2 VAL 65 100.000% *100.0000% (0.64 0.37 0.37) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2722 (9.42, 1.14, 62.58 ppm): 2 chemical-shift based assignments, quality = 0.861, support = 1.44, residual support = 2.75: HN TYR 97 - QG2 VAL 65 50.000% * 55.8865% (0.91 1.50 2.52) = 55.886% kept HN GLU- 68 - QG2 VAL 65 50.000% * 44.1135% (0.79 1.36 3.03) = 44.114% kept Peak 2723 (9.43, 4.04, 45.70 ppm): 4 chemical-shift based assignments, quality = 0.233, support = 0.964, residual support = 1.45: HN GLU- 68 - HA2 GLY 66 25.000% * 59.9979% (0.19 1.25 1.86) = 59.998% kept HN TYR 97 - HA2 GLY 66 25.000% * 39.7611% (0.30 0.53 0.83) = 39.761% kept HN TYR 97 - HA1 GLY 5 25.000% * 0.1469% (0.03 0.02 0.02) = 0.147% HN GLU- 68 - HA1 GLY 5 25.000% * 0.0942% (0.02 0.02 0.02) = 0.094% Peak 2724 (9.43, 5.08, 45.70 ppm): 2 chemical-shift based assignments, quality = 0.238, support = 1.85, residual support = 1.41: HN GLU- 68 - HA1 GLY 66 50.000% * 55.6324% (0.19 2.36 1.86) = 55.632% kept HN TYR 97 - HA1 GLY 66 50.000% * 44.3676% (0.30 1.21 0.83) = 44.368% kept Peak 2725 (9.48, 3.45, 30.06 ppm): 2 chemical-shift based assignments, quality = 0.328, support = 2.62, residual support = 29.7: O HN TRP 67 - HB2 TRP 67 50.000% * 99.7103% (0.33 10.0 2.63 29.80) = 99.710% kept HN LYS+ 11 - HB2 TRP 67 50.000% * 0.2897% (0.96 1.0 0.02 0.02) = 0.290% Peak 2726 (9.49, 3.12, 30.06 ppm): 3 chemical-shift based assignments, quality = 0.736, support = 2.57, residual support = 29.8: O HN TRP 67 - HB3 TRP 67 33.333% * 99.8565% (0.74 10.0 2.58 29.80) = 99.857% kept HN LYS+ 11 - HB3 TRP 67 33.333% * 0.0898% (0.66 1.0 0.02 0.02) = 0.090% HN PHE 92 - HB3 TRP 67 33.333% * 0.0537% (0.40 1.0 0.02 0.02) = 0.054% Peak 2727 (7.01, 4.44, 60.13 ppm): 1 chemical-shift based assignment, quality = 0.241, support = 0.574, residual support = 0.876: HE ARG+ 90 - HA TRP 67 100.000% *100.0000% (0.24 0.57 0.88) = 100.000% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2728 (7.34, 4.44, 60.13 ppm): 3 chemical-shift based assignments, quality = 0.329, support = 2.57, residual support = 3.98: HN ASN 69 - HA TRP 67 33.333% * 82.2802% (0.24 3.09 4.83) = 82.280% kept HD21 ASN 29 - HA TRP 67 33.333% * 10.6497% (0.95 0.10 0.02) = 10.650% kept HE21 GLN 83 - HA TRP 67 33.333% * 7.0701% (0.43 0.15 0.02) = 7.070% kept Peak 2729 (2.42, 2.20, 29.08 ppm): 4 chemical-shift based assignments, quality = 0.472, support = 1.4, residual support = 3.54: HB2 GLN 8 - QB GLU- 68 25.000% * 46.3821% (0.34 2.27 4.95) = 46.382% kept HA PHE 70 - QB GLU- 68 25.000% * 25.5762% (0.56 0.75 4.12) = 25.576% kept HB2 PRO 37 - QB GLU- 68 25.000% * 21.0166% (0.76 0.46 0.93) = 21.017% kept HB3 ASP- 89 - QB GLU- 68 25.000% * 7.0251% (0.14 0.87 0.02) = 7.025% kept Peak 2730 (3.00, 2.20, 29.08 ppm): 7 chemical-shift based assignments, quality = 0.739, support = 2.18, residual support = 14.0: QE LYS+ 72 - QB GLU- 68 14.286% * 58.4979% (0.99 2.16 17.79) = 58.498% kept HB3 ASN 69 - QB GLU- 68 14.286% * 20.9573% (0.20 3.88 17.22) = 20.957% kept QE LYS+ 11 - QB GLU- 68 14.286% * 8.3813% (1.00 0.31 0.02) = 8.381% kept HD3 ARG+ 88 - QB GLU- 68 14.286% * 5.1046% (0.25 0.75 0.02) = 5.105% kept HD3 ARG+ 48 - QB GLU- 68 14.286% * 4.2838% (0.20 0.79 0.02) = 4.284% kept QE LYS+ 20 - QB GLU- 68 14.286% * 2.5304% (0.56 0.16 0.65) = 2.530% kept HB2 TYR 97 - QB GLU- 68 14.286% * 0.2447% (0.45 0.02 0.30) = 0.245% Peak 2731 (4.71, 2.20, 29.08 ppm): 5 chemical-shift based assignments, quality = 0.55, support = 0.988, residual support = 0.724: HA PRO 37 - QB GLU- 68 20.000% * 35.4504% (0.52 1.36 0.93) = 35.450% kept HA HIS 99 - QB GLU- 68 20.000% * 32.8417% (0.76 0.87 0.82) = 32.842% kept HA LYS+ 20 - QB GLU- 68 20.000% * 15.5727% (0.37 0.84 0.65) = 15.573% kept HA ARG+ 53 - QB GLU- 68 20.000% * 11.5669% (0.37 0.62 0.02) = 11.567% kept HA ALA 34 - QB GLU- 68 20.000% * 4.5682% (0.25 0.37 0.49) = 4.568% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2732 (0.29, 2.20, 29.08 ppm): 1 chemical-shift based assignment, quality = 0.249, support = 3.7, residual support = 6.61: QG1 VAL 7 - QB GLU- 68 100.000% *100.0000% (0.25 3.70 6.61) = 100.000% kept Peak 2733 (0.74, 2.20, 29.08 ppm): 4 chemical-shift based assignments, quality = 0.478, support = 3.74, residual support = 16.9: T QG2 VAL 71 - QB GLU- 68 25.000% * 91.4819% (0.45 10.00 4.01 18.52) = 91.482% kept QG1 VAL 61 - QB GLU- 68 25.000% * 8.2095% (0.83 1.00 0.96 0.02) = 8.210% kept QD1 LEU 43 - QB GLU- 68 25.000% * 0.1930% (0.94 1.00 0.02 0.02) = 0.193% QG1 ILE 96 - QB GLU- 68 25.000% * 0.1155% (0.56 1.00 0.02 0.02) = 0.116% Peak 2734 (1.47, 2.38, 36.36 ppm): 8 chemical-shift based assignments, quality = 0.93, support = 1.63, residual support = 7.72: HB3 GLU- 23 - HG3 GLU- 68 12.500% * 42.4278% (0.98 1.92 2.46) = 42.428% kept HG3 LYS+ 72 - HG3 GLU- 68 12.500% * 36.9983% (0.96 1.70 17.79) = 36.998% kept HB3 PHE 84 - HG3 GLU- 68 12.500% * 18.4907% (0.83 0.98 0.51) = 18.491% kept HB2 LEU 63 - HG3 GLU- 68 12.500% * 1.0301% (0.45 0.10 0.02) = 1.030% kept HB3 ASN 74 - HG3 GLU- 68 12.500% * 0.6923% (0.37 0.08 0.02) = 0.692% HG2 ARG+ 48 - HG3 GLU- 68 12.500% * 0.2021% (0.45 0.02 0.02) = 0.202% HG12 ILE 95 - HG3 GLU- 68 12.500% * 0.0892% (0.20 0.02 0.79) = 0.089% HG3 LYS+ 17 - HG3 GLU- 68 12.500% * 0.0695% (0.15 0.02 0.02) = 0.070% Peak 2735 (1.71, 2.38, 36.36 ppm): 9 chemical-shift based assignments, quality = 0.847, support = 1.16, residual support = 1.06: HB2 GLU- 23 - HG3 GLU- 68 11.111% * 34.7754% (0.72 2.02 2.46) = 34.775% kept QD LYS+ 60 - HG3 GLU- 68 11.111% * 20.9441% (0.99 0.89 0.38) = 20.944% kept HG LEU 26 - HG3 GLU- 68 11.111% * 15.6459% (1.00 0.66 0.28) = 15.646% kept HD3 LYS+ 55 - HG3 GLU- 68 11.111% * 13.5449% (0.83 0.68 0.58) = 13.545% kept QB GLU- 30 - HG3 GLU- 68 11.111% * 12.6017% (0.94 0.56 0.02) = 12.602% kept HB3 LYS+ 55 - HG3 GLU- 68 11.111% * 0.9756% (0.15 0.27 0.58) = 0.976% HG2 PRO 25 - HG3 GLU- 68 11.111% * 0.8992% (0.41 0.09 0.02) = 0.899% HG12 ILE 38 - HG3 GLU- 68 11.111% * 0.5400% (0.22 0.10 0.02) = 0.540% HB2 ARG+ 48 - HG3 GLU- 68 11.111% * 0.0732% (0.15 0.02 0.02) = 0.073% Peak 2736 (3.83, 2.38, 36.36 ppm): 4 chemical-shift based assignments, quality = 0.542, support = 3.53, residual support = 25.0: O T HA GLU- 68 - HG3 GLU- 68 25.000% * 84.8260% (0.49 10.0 10.00 3.84 29.14) = 84.826% kept HB3 SER 21 - HG3 GLU- 68 25.000% * 14.4987% (0.89 1.0 1.00 1.86 2.14) = 14.499% kept T HA SER 15 - HG3 GLU- 68 25.000% * 0.3449% (0.20 1.0 10.00 0.02 0.02) = 0.345% HA2 GLY 27 - HG3 GLU- 68 25.000% * 0.3305% (0.41 1.0 1.00 0.09 0.02) = 0.330% Peak 2737 (4.71, 2.38, 36.36 ppm): 5 chemical-shift based assignments, quality = 0.522, support = 0.847, residual support = 0.67: HA HIS 99 - HG3 GLU- 68 20.000% * 34.1182% (0.76 0.85 0.82) = 34.118% kept HA PRO 37 - HG3 GLU- 68 20.000% * 21.9527% (0.52 0.79 0.93) = 21.953% kept HA LYS+ 20 - HG3 GLU- 68 20.000% * 17.9513% (0.37 0.91 0.65) = 17.951% kept HA ALA 34 - HG3 GLU- 68 20.000% * 13.9077% (0.25 1.06 0.49) = 13.908% kept HA ARG+ 53 - HG3 GLU- 68 20.000% * 12.0700% (0.37 0.61 0.02) = 12.070% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2738 (1.47, 2.50, 36.36 ppm): 8 chemical-shift based assignments, quality = 0.879, support = 1.73, residual support = 8.23: HG3 LYS+ 72 - HG2 GLU- 68 12.500% * 41.2104% (0.96 2.27 17.79) = 41.210% kept HB3 GLU- 23 - HG2 GLU- 68 12.500% * 31.5892% (0.98 1.71 2.46) = 31.589% kept HB3 PHE 84 - HG2 GLU- 68 12.500% * 17.4008% (0.83 1.11 0.51) = 17.401% kept HG12 ILE 95 - HG2 GLU- 68 12.500% * 4.1186% (0.20 1.10 0.79) = 4.119% kept HG2 ARG+ 48 - HG2 GLU- 68 12.500% * 3.3175% (0.45 0.39 0.02) = 3.317% kept HB3 ASN 74 - HG2 GLU- 68 12.500% * 1.4442% (0.37 0.20 0.02) = 1.444% kept HB2 LEU 63 - HG2 GLU- 68 12.500% * 0.8612% (0.45 0.10 0.02) = 0.861% HG3 LYS+ 17 - HG2 GLU- 68 12.500% * 0.0581% (0.15 0.02 0.02) = 0.058% Peak 2739 (1.71, 2.50, 36.36 ppm): 9 chemical-shift based assignments, quality = 0.825, support = 1.13, residual support = 0.886: HB2 GLU- 23 - HG2 GLU- 68 11.111% * 25.5798% (0.72 1.75 2.46) = 25.580% kept HD3 LYS+ 55 - HG2 GLU- 68 11.111% * 22.6042% (0.83 1.35 0.58) = 22.604% kept HG LEU 26 - HG2 GLU- 68 11.111% * 17.6470% (1.00 0.88 0.28) = 17.647% kept QD LYS+ 60 - HG2 GLU- 68 11.111% * 15.0061% (0.99 0.75 0.38) = 15.006% kept QB GLU- 30 - HG2 GLU- 68 11.111% * 11.2441% (0.94 0.59 0.02) = 11.244% kept HG2 PRO 25 - HG2 GLU- 68 11.111% * 3.9816% (0.41 0.48 0.02) = 3.982% kept HB3 LYS+ 55 - HG2 GLU- 68 11.111% * 2.5495% (0.15 0.82 0.58) = 2.549% kept HB2 ARG+ 48 - HG2 GLU- 68 11.111% * 0.9165% (0.15 0.30 0.02) = 0.917% HG12 ILE 38 - HG2 GLU- 68 11.111% * 0.4714% (0.22 0.11 0.02) = 0.471% Peak 2740 (2.68, 2.50, 36.36 ppm): 5 chemical-shift based assignments, quality = 0.585, support = 0.229, residual support = 0.158: HB3 ASP- 73 - HG2 GLU- 68 20.000% * 72.6406% (0.69 0.28 0.21) = 72.641% kept HD2 PRO 25 - HG2 GLU- 68 20.000% * 14.1216% (0.37 0.10 0.02) = 14.122% kept HG2 MET 10 - HG2 GLU- 68 20.000% * 9.0775% (0.25 0.10 0.02) = 9.078% kept QG MET 101 - HG2 GLU- 68 20.000% * 2.0802% (0.28 0.02 0.02) = 2.080% kept QB ASP- 3 - HG2 GLU- 68 20.000% * 2.0802% (0.28 0.02 0.02) = 2.080% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2741 (2.98, 2.50, 36.36 ppm): 10 chemical-shift based assignments, quality = 0.573, support = 1.01, residual support = 9.23: QE LYS+ 72 - HG2 GLU- 68 10.000% * 51.1513% (0.65 1.59 17.79) = 51.151% kept QE LYS+ 55 - HG2 GLU- 68 10.000% * 13.1921% (0.41 0.65 0.58) = 13.192% kept HD3 ARG+ 88 - HG2 GLU- 68 10.000% * 9.5463% (0.69 0.28 0.02) = 9.546% kept QE LYS+ 11 - HG2 GLU- 68 10.000% * 8.5181% (0.69 0.25 0.02) = 8.518% kept QE LYS+ 20 - HG2 GLU- 68 10.000% * 5.5102% (0.17 0.63 0.65) = 5.510% kept HD3 ARG+ 48 - HG2 GLU- 68 10.000% * 5.1733% (0.61 0.17 0.02) = 5.173% kept HE3 LYS+ 60 - HG2 GLU- 68 10.000% * 4.9384% (0.37 0.27 0.38) = 4.938% kept HB2 ASP- 89 - HG2 GLU- 68 10.000% * 1.6394% (0.31 0.11 0.02) = 1.639% kept QE LYS+ 17 - HG2 GLU- 68 10.000% * 0.1965% (0.20 0.02 0.02) = 0.196% HB3 PHE 9 - HG2 GLU- 68 10.000% * 0.1344% (0.14 0.02 0.91) = 0.134% Peak 2742 (3.83, 2.50, 36.36 ppm): 4 chemical-shift based assignments, quality = 0.699, support = 1.68, residual support = 14.9: T HB3 SER 21 - HG2 GLU- 68 25.000% * 52.4544% (0.89 1.0 10.00 1.20 2.14) = 52.454% kept O HA GLU- 68 - HG2 GLU- 68 25.000% * 47.3253% (0.49 10.0 1.00 2.22 29.14) = 47.325% kept HA2 GLY 27 - HG2 GLU- 68 25.000% * 0.2010% (0.41 1.0 1.00 0.10 0.02) = 0.201% HA SER 15 - HG2 GLU- 68 25.000% * 0.0192% (0.20 1.0 1.00 0.02 0.02) = 0.019% Peak 2743 (4.71, 2.50, 36.36 ppm): 5 chemical-shift based assignments, quality = 0.529, support = 0.963, residual support = 0.684: HA HIS 99 - HG2 GLU- 68 20.000% * 33.1345% (0.76 0.84 0.82) = 33.135% kept HA LYS+ 20 - HG2 GLU- 68 20.000% * 28.9392% (0.37 1.49 0.65) = 28.939% kept HA PRO 37 - HG2 GLU- 68 20.000% * 21.3803% (0.52 0.78 0.93) = 21.380% kept HA ARG+ 53 - HG2 GLU- 68 20.000% * 11.7543% (0.37 0.60 0.02) = 11.754% kept HA ALA 34 - HG2 GLU- 68 20.000% * 4.7917% (0.25 0.37 0.49) = 4.792% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2744 (1.70, 2.20, 29.08 ppm): 9 chemical-shift based assignments, quality = 0.74, support = 0.799, residual support = 0.79: HD3 LYS+ 55 - QB GLU- 68 11.111% * 22.1201% (1.00 0.65 0.58) = 22.120% kept HB2 GLU- 23 - QB GLU- 68 11.111% * 20.7059% (0.37 1.61 2.46) = 20.706% kept QD LYS+ 60 - QB GLU- 68 11.111% * 19.3692% (0.89 0.63 0.38) = 19.369% kept HG LEU 26 - QB GLU- 68 11.111% * 17.4097% (0.83 0.61 0.28) = 17.410% kept QB GLU- 30 - QB GLU- 68 11.111% * 13.0198% (0.65 0.59 0.02) = 13.020% kept HB3 LYS+ 55 - QB GLU- 68 11.111% * 4.2643% (0.41 0.30 0.58) = 4.264% kept HG2 PRO 25 - QB GLU- 68 11.111% * 2.8236% (0.76 0.11 0.02) = 2.824% kept QD LYS+ 17 - QB GLU- 68 11.111% * 0.1522% (0.22 0.02 0.02) = 0.152% HB2 LEU 43 - QB GLU- 68 11.111% * 0.1353% (0.20 0.02 0.02) = 0.135% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2745 (1.47, 2.20, 29.08 ppm): 8 chemical-shift based assignments, quality = 0.901, support = 1.69, residual support = 5.64: T HB3 PHE 84 - QB GLU- 68 12.500% * 56.4786% (0.87 10.00 0.77 0.51) = 56.479% kept HG3 LYS+ 72 - QB GLU- 68 12.500% * 28.0306% (0.94 1.00 3.52 17.79) = 28.031% kept HB3 GLU- 23 - QB GLU- 68 12.500% * 14.9315% (0.99 1.00 1.79 2.46) = 14.932% kept HB2 LEU 63 - QB GLU- 68 12.500% * 0.3529% (0.41 1.00 0.10 0.02) = 0.353% HG2 ARG+ 48 - QB GLU- 68 12.500% * 0.0820% (0.49 1.00 0.02 0.02) = 0.082% HB3 ASN 74 - QB GLU- 68 12.500% * 0.0574% (0.34 1.00 0.02 0.02) = 0.057% HG12 ILE 95 - QB GLU- 68 12.500% * 0.0375% (0.22 1.00 0.02 0.79) = 0.037% HG3 LYS+ 17 - QB GLU- 68 12.500% * 0.0295% (0.17 1.00 0.02 0.02) = 0.029% Peak 2746 (7.40, 2.20, 29.08 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2747 (7.71, 2.20, 29.08 ppm): 1 chemical-shift based assignment, quality = 0.685, support = 4.92, residual support = 17.8: HN LYS+ 72 - QB GLU- 68 100.000% *100.0000% (0.69 4.92 17.79) = 100.000% kept Peak 2748 (9.44, 2.20, 29.08 ppm): 1 chemical-shift based assignment, quality = 0.197, support = 0.298, residual support = 0.298: HN TYR 97 - QB GLU- 68 100.000% *100.0000% (0.20 0.30 0.30) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2749 (7.40, 2.50, 36.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2750 (9.44, 2.50, 36.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2751 (7.41, 2.38, 36.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2752 (9.45, 2.38, 36.36 ppm): 1 chemical-shift based assignment, quality = 0.175, support = 0.02, residual support = 0.02: HN LYS+ 11 - HG3 GLU- 68 100.000% *100.0000% (0.17 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2753 (7.00, 3.21, 38.25 ppm): 2 chemical-shift based assignments, quality = 0.449, support = 3.47, residual support = 11.8: HN PHE 70 - HB2 ASN 69 50.000% * 50.6700% (0.19 5.44 20.52) = 50.670% kept HE ARG+ 90 - HB2 ASN 69 50.000% * 49.3300% (0.71 1.44 2.76) = 49.330% kept Peak 2754 (7.16, 3.21, 38.25 ppm): 1 chemical-shift based assignment, quality = 0.516, support = 1.74, residual support = 4.35: HN PHE 32 - HB2 ASN 69 100.000% *100.0000% (0.52 1.74 4.35) = 100.000% kept Peak 2755 (7.38, 3.21, 38.25 ppm): 1 chemical-shift based assignment, quality = 0.819, support = 5.25, residual support = 82.5: O HN ASN 69 - HB2 ASN 69 100.000% *100.0000% (0.82 10.0 5.25 82.51) = 100.000% kept Peak 2756 (8.00, 3.21, 38.25 ppm): 8 chemical-shift based assignments, quality = 0.9, support = 4.42, residual support = 73.9: O HD21 ASN 69 - HB2 ASN 69 12.500% * 89.5893% (0.90 10.0 4.84 82.51) = 89.589% kept HN SER 18 - HB2 ASN 69 12.500% * 3.9377% (0.85 1.0 0.94 0.02) = 3.938% kept HN ASP- 44 - HB2 ASN 69 12.500% * 3.5673% (0.96 1.0 0.75 0.02) = 3.567% kept HN LEU 26 - HB2 ASN 69 12.500% * 2.3392% (0.90 1.0 0.52 0.35) = 2.339% kept HN ALA 34 - HB2 ASN 69 12.500% * 0.4799% (0.63 1.0 0.15 0.02) = 0.480% HN THR 4 - HB2 ASN 69 12.500% * 0.0549% (0.55 1.0 0.02 0.02) = 0.055% HN PHE 28 - HB2 ASN 69 12.500% * 0.0170% (0.17 1.0 0.02 14.93) = 0.017% HN ARG+ 48 - HB2 ASN 69 12.500% * 0.0146% (0.15 1.0 0.02 0.14) = 0.015% Peak 2757 (2.40, 3.03, 38.25 ppm): 4 chemical-shift based assignments, quality = 0.783, support = 2.48, residual support = 7.62: HG3 GLU- 68 - HB3 ASN 69 25.000% * 40.9187% (0.63 3.93 17.22) = 40.919% kept HB3 ASP- 89 - HB3 ASN 69 25.000% * 28.0703% (0.96 1.78 1.40) = 28.070% kept HB2 GLN 8 - HB3 ASN 69 25.000% * 19.5497% (0.93 1.28 0.60) = 19.550% kept HE3 LYS+ 56 - HB3 ASN 69 25.000% * 11.4614% (0.63 1.10 0.56) = 11.461% kept Peak 2758 (7.00, 3.03, 38.25 ppm): 2 chemical-shift based assignments, quality = 0.485, support = 3.39, residual support = 10.5: HE ARG+ 90 - HB3 ASN 69 50.000% * 56.1371% (0.71 1.86 2.76) = 56.137% kept HN PHE 70 - HB3 ASN 69 50.000% * 43.8629% (0.19 5.34 20.52) = 43.863% kept Peak 2759 (7.16, 3.03, 38.25 ppm): 1 chemical-shift based assignment, quality = 0.516, support = 2.61, residual support = 4.35: HN PHE 32 - HB3 ASN 69 100.000% *100.0000% (0.52 2.61 4.35) = 100.000% kept Peak 2760 (7.39, 3.03, 38.25 ppm): 1 chemical-shift based assignment, quality = 0.368, support = 5.3, residual support = 82.5: O HN ASN 69 - HB3 ASN 69 100.000% *100.0000% (0.37 10.0 5.30 82.51) = 100.000% kept Peak 2761 (3.73, 2.44, 62.31 ppm): 3 chemical-shift based assignments, quality = 0.729, support = 0.02, residual support = 0.02: HA2 GLY 47 - HA PHE 70 33.333% * 43.8974% (0.80 0.02 0.02) = 43.897% kept HD2 PRO 35 - HA PHE 70 33.333% * 43.8974% (0.80 0.02 0.02) = 43.897% kept HA2 GLY 79 - HA PHE 70 33.333% * 12.2051% (0.22 0.02 0.02) = 12.205% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2762 (5.50, 2.44, 62.31 ppm): 1 chemical-shift based assignment, quality = 0.963, support = 2.72, residual support = 8.48: HA TYR 86 - HA PHE 70 100.000% *100.0000% (0.96 2.72 8.48) = 100.000% kept Peak 2763 (7.00, 2.44, 62.31 ppm): 2 chemical-shift based assignments, quality = 0.242, support = 3.17, residual support = 11.3: O HN PHE 70 - HA PHE 70 50.000% * 91.5925% (0.20 10.0 3.42 12.30) = 91.593% kept HE ARG+ 90 - HA PHE 70 50.000% * 8.4075% (0.72 1.0 0.50 0.02) = 8.407% kept Peak 2764 (7.16, 2.44, 62.31 ppm): 1 chemical-shift based assignment, quality = 0.525, support = 1.22, residual support = 4.32: HN PHE 32 - HA PHE 70 100.000% *100.0000% (0.52 1.22 4.32) = 100.000% kept Peak 2765 (7.46, 2.44, 62.31 ppm): 7 chemical-shift based assignments, quality = 0.761, support = 3.07, residual support = 16.2: O HN VAL 71 - HA PHE 70 14.286% * 91.5986% (0.76 10.0 3.28 17.66) = 91.599% kept HE21 GLN 8 - HA PHE 70 14.286% * 4.5129% (0.99 1.0 0.76 0.48) = 4.513% kept HN TYR 31 - HA PHE 70 14.286% * 2.4989% (0.37 1.0 1.11 0.12) = 2.499% kept HN LEU 76 - HA PHE 70 14.286% * 1.1925% (0.72 1.0 0.27 0.02) = 1.192% kept HN GLU- 30 - HA PHE 70 14.286% * 0.1196% (1.00 1.0 0.02 0.02) = 0.120% HD21 ASN 75 - HA PHE 70 14.286% * 0.0537% (0.45 1.0 0.02 0.02) = 0.054% HN THR 39 - HA PHE 70 14.286% * 0.0237% (0.20 1.0 0.02 0.02) = 0.024% Peak 2766 (5.50, 1.89, 38.70 ppm): 1 chemical-shift based assignment, quality = 0.946, support = 2.6, residual support = 8.48: HA TYR 86 - QB PHE 70 100.000% *100.0000% (0.95 2.60 8.48) = 100.000% kept Peak 2767 (7.00, 1.89, 38.70 ppm): 2 chemical-shift based assignments, quality = 0.238, support = 3.01, residual support = 11.3: O HN PHE 70 - QB PHE 70 50.000% * 91.5925% (0.19 10.0 3.24 12.30) = 91.593% kept HE ARG+ 90 - QB PHE 70 50.000% * 8.4075% (0.71 1.0 0.50 0.02) = 8.407% kept Peak 2768 (7.46, 1.89, 38.70 ppm): 7 chemical-shift based assignments, quality = 0.717, support = 2.9, residual support = 15.4: HN VAL 71 - QB PHE 70 14.286% * 87.4473% (0.75 3.29 17.66) = 87.447% kept HN LEU 76 - QB PHE 70 14.286% * 6.9262% (0.71 0.27 0.02) = 6.926% kept HN TYR 31 - QB PHE 70 14.286% * 2.6626% (0.37 0.20 0.12) = 2.663% kept HN THR 39 - QB PHE 70 14.286% * 1.2672% (0.19 0.18 0.02) = 1.267% kept HN GLU- 30 - QB PHE 70 14.286% * 0.6946% (0.98 0.02 0.02) = 0.695% HE21 GLN 8 - QB PHE 70 14.286% * 0.6900% (0.97 0.02 0.48) = 0.690% HD21 ASN 75 - QB PHE 70 14.286% * 0.3121% (0.44 0.02 0.02) = 0.312% Peak 2769 (0.30, 2.44, 62.31 ppm): 1 chemical-shift based assignment, quality = 0.685, support = 1.33, residual support = 4.11: QG1 VAL 7 - HA PHE 70 100.000% *100.0000% (0.69 1.33 4.11) = 100.000% kept Peak 2770 (-0.26, 2.62, 24.71 ppm): 1 chemical-shift based assignment, quality = 0.895, support = 2.22, residual support = 19.1: HB3 LEU 76 - HA VAL 71 100.000% *100.0000% (0.89 2.22 19.14) = 100.000% kept Peak 2771 (0.96, 2.62, 24.71 ppm): 7 chemical-shift based assignments, quality = 0.852, support = 0.581, residual support = 1.16: QG2 VAL 52 - HA VAL 71 14.286% * 35.5906% (0.83 0.87 2.73) = 35.591% kept QD2 LEU 82 - HA VAL 71 14.286% * 24.8750% (0.96 0.53 0.52) = 24.875% kept QG2 ILE 14 - HA VAL 71 14.286% * 16.9653% (1.00 0.35 0.02) = 16.965% kept HB3 ARG+ 48 - HA VAL 71 14.286% * 15.7160% (0.76 0.42 0.33) = 15.716% kept QG2 ILE 85 - HA VAL 71 14.286% * 5.6337% (0.49 0.24 0.02) = 5.634% kept HG3 LYS+ 56 - HA VAL 71 14.286% * 0.9760% (1.00 0.02 8.56) = 0.976% QG2 THR 64 - HA VAL 71 14.286% * 0.2434% (0.25 0.02 0.02) = 0.243% Peak 2772 (5.51, 2.62, 24.71 ppm): 1 chemical-shift based assignment, quality = 0.605, support = 3.91, residual support = 9.4: HA TYR 86 - HA VAL 71 100.000% *100.0000% (0.61 3.91 9.40) = 100.000% kept Peak 2773 (7.48, 2.62, 24.71 ppm): 7 chemical-shift based assignments, quality = 0.626, support = 3.7, residual support = 26.8: HN LEU 76 - HA VAL 71 14.286% * 42.9006% (0.89 1.0 4.18 19.14) = 42.901% kept O HN VAL 71 - HA VAL 71 14.286% * 30.9820% (0.14 10.0 5.34 59.18) = 30.982% kept HN LYS+ 60 - HA VAL 71 14.286% * 11.2646% (0.69 1.0 1.43 1.81) = 11.265% kept HN THR 39 - HA VAL 71 14.286% * 7.8318% (0.87 1.0 0.79 0.02) = 7.832% kept HN TYR 31 - HA VAL 71 14.286% * 4.7603% (0.99 1.0 0.42 0.02) = 4.760% kept HE21 GLN 8 - HA VAL 71 14.286% * 2.1492% (0.37 1.0 0.50 0.02) = 2.149% kept HN GLU- 30 - HA VAL 71 14.286% * 0.1114% (0.49 1.0 0.02 0.02) = 0.111% Peak 2774 (0.76, 0.33, 22.77 ppm): 3 chemical-shift based assignments, quality = 0.828, support = 3.58, residual support = 47.0: O T QG2 VAL 71 - QG1 VAL 71 33.333% * 77.7528% (0.98 10.0 10.00 3.87 59.18) = 77.753% kept T QG1 VAL 61 - QG1 VAL 71 33.333% * 19.7795% (0.25 1.0 10.00 2.80 4.89) = 19.780% kept QD1 LEU 43 - QG1 VAL 71 33.333% * 2.4677% (0.76 1.0 1.00 0.81 0.10) = 2.468% kept Peak 2775 (0.32, 0.77, 63.23 ppm): 4 chemical-shift based assignments, quality = 0.854, support = 3.63, residual support = 54.6: O T QG1 VAL 71 - QG2 VAL 71 25.000% * 92.1007% (0.87 10.0 10.00 3.87 59.18) = 92.101% kept QG1 VAL 7 - QG2 VAL 71 25.000% * 4.5567% (0.80 1.0 1.00 1.07 0.59) = 4.557% kept QD1 ILE 24 - QG2 VAL 71 25.000% * 2.3166% (0.49 1.0 1.00 0.90 1.80) = 2.317% kept QD1 LEU 63 - QG2 VAL 71 25.000% * 1.0259% (0.87 1.0 1.00 0.22 0.02) = 1.026% kept Peak 2776 (-0.26, 0.77, 63.23 ppm): 1 chemical-shift based assignment, quality = 0.895, support = 4.73, residual support = 19.1: HB3 LEU 76 - QG2 VAL 71 100.000% *100.0000% (0.89 4.73 19.14) = 100.000% kept Peak 2777 (1.91, 0.77, 63.23 ppm): 9 chemical-shift based assignments, quality = 0.755, support = 3.78, residual support = 51.4: O T HB VAL 71 - QG2 VAL 71 11.111% * 85.0944% (0.80 10.0 10.00 4.16 59.18) = 85.094% kept QB PHE 70 - QG2 VAL 71 11.111% * 5.2993% (0.34 1.0 1.00 2.92 17.66) = 5.299% kept HB2 LYS+ 17 - QG2 VAL 71 11.111% * 4.6704% (0.87 1.0 1.00 1.01 1.00) = 4.670% kept HB2 LYS+ 60 - QG2 VAL 71 11.111% * 1.8418% (0.34 1.0 1.00 1.02 1.81) = 1.842% kept HB3 GLU- 59 - QG2 VAL 71 11.111% * 1.1917% (0.56 1.0 1.00 0.40 0.02) = 1.192% kept HB3 GLU- 16 - QG2 VAL 71 11.111% * 1.1219% (0.34 1.0 1.00 0.62 0.02) = 1.122% kept QB LYS+ 80 - QG2 VAL 71 11.111% * 0.6918% (0.56 1.0 1.00 0.23 0.02) = 0.692% HB VAL 7 - QG2 VAL 71 11.111% * 0.0559% (0.52 1.0 1.00 0.02 0.59) = 0.056% QB GLU- 6 - QG2 VAL 71 11.111% * 0.0328% (0.31 1.0 1.00 0.02 0.02) = 0.033% Peak 2778 (2.61, 0.77, 63.23 ppm): 6 chemical-shift based assignments, quality = 0.559, support = 4.29, residual support = 58.5: O T HA VAL 71 - QG2 VAL 71 16.667% * 98.9416% (0.56 10.0 10.00 4.33 59.18) = 98.942% kept T HB2 ASP- 41 - QG2 VAL 71 16.667% * 0.4358% (0.25 1.0 10.00 0.02 0.53) = 0.436% HG2 MET 1 - QG2 VAL 71 16.667% * 0.1687% (0.96 1.0 1.00 0.02 0.02) = 0.169% HG3 MET 10 - QG2 VAL 71 16.667% * 0.1687% (0.96 1.0 1.00 0.02 0.02) = 0.169% HB3 ASN 100 - QG2 VAL 71 16.667% * 0.1653% (0.94 1.0 1.00 0.02 0.02) = 0.165% HD3 PRO 35 - QG2 VAL 71 16.667% * 0.1200% (0.69 1.0 1.00 0.02 0.02) = 0.120% Peak 2779 (2.19, 0.77, 63.23 ppm): 9 chemical-shift based assignments, quality = 0.789, support = 3.65, residual support = 15.9: T QB GLU- 68 - QG2 VAL 71 11.111% * 83.5048% (0.83 10.00 4.01 18.52) = 83.505% kept HB2 GLU- 77 - QG2 VAL 71 11.111% * 8.1926% (0.65 1.00 2.53 3.23) = 8.193% kept QG GLU- 77 - QG2 VAL 71 11.111% * 3.9859% (0.41 1.00 1.94 3.23) = 3.986% kept HB2 LEU 42 - QG2 VAL 71 11.111% * 1.4517% (0.89 1.00 0.32 0.02) = 1.452% kept HB2 LEU 82 - QG2 VAL 71 11.111% * 1.1420% (0.34 1.00 0.67 0.52) = 1.142% kept HB2 PHE 84 - QG2 VAL 71 11.111% * 1.0920% (0.65 1.00 0.34 0.02) = 1.092% kept HB2 GLU- 59 - QG2 VAL 71 11.111% * 0.5058% (0.17 1.00 0.58 0.02) = 0.506% QG GLU- 6 - QG2 VAL 71 11.111% * 0.0687% (0.69 1.00 0.02 0.02) = 0.069% HB2 MET 101 - QG2 VAL 71 11.111% * 0.0566% (0.56 1.00 0.02 0.02) = 0.057% Peak 2780 (1.67, 0.77, 63.23 ppm): 8 chemical-shift based assignments, quality = 0.795, support = 2.32, residual support = 2.85: HB3 LYS+ 55 - QG2 VAL 71 12.500% * 28.3685% (0.94 2.87 2.80) = 28.368% kept QD LYS+ 17 - QG2 VAL 71 12.500% * 19.8094% (1.00 1.90 1.00) = 19.809% kept HB2 LYS+ 56 - QG2 VAL 71 12.500% * 17.7664% (0.45 3.79 8.56) = 17.766% kept HG2 PRO 25 - QG2 VAL 71 12.500% * 12.7202% (0.65 1.88 1.51) = 12.720% kept HB2 LEU 43 - QG2 VAL 71 12.500% * 11.0495% (0.99 1.07 0.10) = 11.049% kept HD3 LYS+ 55 - QG2 VAL 71 12.500% * 4.5490% (0.25 1.75 2.80) = 4.549% kept QD LYS+ 11 - QG2 VAL 71 12.500% * 3.0405% (0.89 0.32 0.02) = 3.041% kept QB PRO 12 - QG2 VAL 71 12.500% * 2.6967% (0.76 0.34 0.02) = 2.697% kept Peak 2781 (0.95, 0.33, 22.77 ppm): 6 chemical-shift based assignments, quality = 0.963, support = 1.89, residual support = 2.56: T QG2 VAL 52 - QG1 VAL 71 16.667% * 88.1090% (0.98 10.00 2.03 2.73) = 88.109% kept HB3 ARG+ 48 - QG1 VAL 71 16.667% * 4.2159% (1.00 1.00 0.94 0.33) = 4.216% kept QD2 LEU 82 - QG1 VAL 71 16.667% * 4.1660% (0.87 1.00 1.07 0.52) = 4.166% kept QG2 ILE 14 - QG1 VAL 71 16.667% * 1.9615% (0.69 1.00 0.64 0.02) = 1.962% kept HG3 LYS+ 56 - QG1 VAL 71 16.667% * 1.3305% (0.72 1.00 0.41 8.56) = 1.331% kept QD1 LEU 26 - QG1 VAL 71 16.667% * 0.2170% (0.17 1.00 0.28 0.02) = 0.217% Peak 2782 (1.90, 0.33, 22.77 ppm): 6 chemical-shift based assignments, quality = 0.537, support = 3.24, residual support = 41.0: O T HB VAL 71 - QG1 VAL 71 16.667% * 62.5654% (0.34 10.0 10.00 3.98 59.18) = 62.565% kept QB PHE 70 - QG1 VAL 71 16.667% * 22.0085% (0.80 1.0 1.00 3.00 17.66) = 22.009% kept HB2 LYS+ 17 - QG1 VAL 71 16.667% * 8.1339% (0.96 1.0 1.00 0.92 1.00) = 8.134% kept HB3 GLU- 59 - QG1 VAL 71 16.667% * 3.7871% (0.96 1.0 1.00 0.43 0.02) = 3.787% kept T QB LYS+ 80 - QG1 VAL 71 16.667% * 1.7701% (0.96 1.0 10.00 0.02 0.02) = 1.770% kept T HB VAL 7 - QG1 VAL 71 16.667% * 1.7351% (0.94 1.0 10.00 0.02 0.59) = 1.735% kept Peak 2783 (2.61, 0.33, 22.77 ppm): 6 chemical-shift based assignments, quality = 0.556, support = 4.06, residual support = 57.9: O T HA VAL 71 - QG1 VAL 71 16.667% * 97.7699% (0.56 10.0 10.00 4.14 59.18) = 97.770% kept HB2 ASP- 41 - QG1 VAL 71 16.667% * 1.6148% (0.25 1.0 1.00 0.75 0.53) = 1.615% kept HG2 MET 1 - QG1 VAL 71 16.667% * 0.1667% (0.96 1.0 1.00 0.02 0.02) = 0.167% HG3 MET 10 - QG1 VAL 71 16.667% * 0.1667% (0.96 1.0 1.00 0.02 0.02) = 0.167% HB3 ASN 100 - QG1 VAL 71 16.667% * 0.1634% (0.94 1.0 1.00 0.02 0.02) = 0.163% HD3 PRO 35 - QG1 VAL 71 16.667% * 0.1186% (0.69 1.0 1.00 0.02 0.02) = 0.119% Peak 2784 (2.18, 0.33, 22.77 ppm): 9 chemical-shift based assignments, quality = 0.431, support = 2.89, residual support = 10.8: QB GLU- 68 - QG1 VAL 71 11.111% * 55.8977% (0.37 4.49 18.52) = 55.898% kept HB2 GLU- 77 - QG1 VAL 71 11.111% * 12.7537% (0.22 1.73 3.23) = 12.754% kept HB2 LEU 82 - QG1 VAL 71 11.111% * 12.5178% (0.80 0.47 0.52) = 12.518% kept HB2 GLU- 59 - QG1 VAL 71 11.111% * 11.7177% (0.56 0.62 0.02) = 11.718% kept HB2 LEU 42 - QG1 VAL 71 11.111% * 6.0579% (0.45 0.41 0.02) = 6.058% kept HB2 PHE 84 - QG1 VAL 71 11.111% * 0.6574% (0.99 0.02 0.02) = 0.657% QG GLU- 6 - QG1 VAL 71 11.111% * 0.1654% (0.25 0.02 0.02) = 0.165% HB2 MET 101 - QG1 VAL 71 11.111% * 0.1162% (0.17 0.02 0.02) = 0.116% QG GLN 8 - QG1 VAL 71 11.111% * 0.1162% (0.17 0.02 0.02) = 0.116% Peak 2785 (3.84, 0.33, 22.77 ppm): 4 chemical-shift based assignments, quality = 0.666, support = 4.14, residual support = 12.4: HA GLU- 68 - QG1 VAL 71 25.000% * 64.1768% (0.72 5.56 18.52) = 64.177% kept HB3 SER 21 - QG1 VAL 71 25.000% * 15.8103% (0.69 1.45 0.94) = 15.810% kept HA SER 15 - QG1 VAL 71 25.000% * 13.5485% (0.37 2.27 2.94) = 13.548% kept HA2 GLY 27 - QG1 VAL 71 25.000% * 6.4645% (0.65 0.63 0.02) = 6.464% kept Peak 2786 (4.53, 0.33, 22.77 ppm): 2 chemical-shift based assignments, quality = 0.676, support = 0.63, residual support = 0.516: HA LEU 22 - QG1 VAL 71 50.000% * 54.8408% (0.83 0.53 0.63) = 54.841% kept HB2 SER 18 - QG1 VAL 71 50.000% * 45.1592% (0.49 0.75 0.38) = 45.159% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2787 (3.52, 0.77, 63.23 ppm): 5 chemical-shift based assignments, quality = 0.945, support = 1.38, residual support = 4.75: T HA GLU- 23 - QG2 VAL 71 20.000% * 73.2278% (0.98 10.00 0.95 0.72) = 73.228% kept HA LEU 76 - QG2 VAL 71 20.000% * 21.3782% (0.89 1.00 3.04 19.14) = 21.378% kept HB3 SER 15 - QG2 VAL 71 20.000% * 4.3608% (0.87 1.00 0.64 2.94) = 4.361% kept T QB SER 49 - QG2 VAL 71 20.000% * 0.9507% (0.61 10.00 0.02 0.02) = 0.951% HD3 PRO 37 - QG2 VAL 71 20.000% * 0.0825% (0.52 1.00 0.02 0.02) = 0.082% Peak 2788 (3.86, 0.77, 63.23 ppm): 4 chemical-shift based assignments, quality = 0.889, support = 3.49, residual support = 9.58: T HA SER 15 - QG2 VAL 71 25.000% * 55.6700% (0.99 10.00 2.27 2.94) = 55.670% kept T HA GLU- 68 - QG2 VAL 71 25.000% * 42.9244% (0.76 10.00 5.16 18.52) = 42.924% kept HA2 GLY 27 - QG2 VAL 71 25.000% * 1.3627% (0.83 1.00 0.58 0.02) = 1.363% kept HA MET 101 - QG2 VAL 71 25.000% * 0.0429% (0.76 1.00 0.02 0.02) = 0.043% Peak 2789 (4.00, 0.77, 63.23 ppm): 4 chemical-shift based assignments, quality = 0.993, support = 4.15, residual support = 40.1: T HA LYS+ 72 - QG2 VAL 71 25.000% * 95.0342% (1.00 10.00 4.32 42.01) = 95.034% kept HB2 SER 15 - QG2 VAL 71 25.000% * 4.8377% (0.96 1.00 1.05 2.94) = 4.838% kept HA1 GLY 5 - QG2 VAL 71 25.000% * 0.0854% (0.89 1.00 0.02 0.02) = 0.085% HA1 GLY 58 - QG2 VAL 71 25.000% * 0.0427% (0.45 1.00 0.02 0.02) = 0.043% Peak 2790 (4.18, 0.77, 63.23 ppm): 2 chemical-shift based assignments, quality = 0.725, support = 0.571, residual support = 0.905: T HA SER 19 - QG2 VAL 71 50.000% * 62.2211% (0.72 10.00 0.67 0.54) = 62.221% kept T HA PRO 25 - QG2 VAL 71 50.000% * 37.7789% (0.72 10.00 0.41 1.51) = 37.779% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2791 (4.56, 0.77, 63.23 ppm): 1 chemical-shift based assignment, quality = 0.799, support = 0.235, residual support = 1.0: HA LYS+ 17 - QG2 VAL 71 100.000% *100.0000% (0.80 0.23 1.00) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2792 (6.46, 0.77, 63.23 ppm): 1 chemical-shift based assignment, quality = 0.308, support = 0.75, residual support = 1.41: HD22 ASN 29 - QG2 VAL 71 100.000% *100.0000% (0.31 0.75 1.41) = 100.000% kept Peak 2793 (5.48, 0.33, 22.77 ppm): 1 chemical-shift based assignment, quality = 0.374, support = 2.04, residual support = 9.4: HA TYR 86 - QG1 VAL 71 100.000% *100.0000% (0.37 2.04 9.40) = 100.000% kept Peak 2794 (6.40, 0.33, 22.77 ppm): 1 chemical-shift based assignment, quality = 0.34, support = 1.71, residual support = 3.23: HN GLU- 77 - QG1 VAL 71 100.000% *100.0000% (0.34 1.71 3.23) = 100.000% kept Peak 2795 (7.06, 0.33, 22.77 ppm): 1 chemical-shift based assignment, quality = 0.866, support = 0.535, residual support = 1.0: HN LYS+ 17 - QG1 VAL 71 100.000% *100.0000% (0.87 0.53 1.00) = 100.000% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2796 (7.19, 0.33, 22.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2797 (7.09, 0.77, 63.23 ppm): 1 chemical-shift based assignment, quality = 0.645, support = 0.511, residual support = 3.5: HD22 ASN 69 - QG2 VAL 71 100.000% *100.0000% (0.65 0.51 3.50) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2798 (7.19, 0.77, 63.23 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2799 (7.49, 0.77, 63.23 ppm): 4 chemical-shift based assignments, quality = 0.717, support = 3.78, residual support = 9.93: HN LEU 76 - QG2 VAL 71 25.000% * 48.1694% (0.45 5.99 19.14) = 48.169% kept HN LYS+ 60 - QG2 VAL 71 25.000% * 38.6514% (1.00 2.16 1.81) = 38.651% kept HN THR 39 - QG2 VAL 71 25.000% * 7.2079% (0.96 0.42 0.02) = 7.208% kept HN TYR 31 - QG2 VAL 71 25.000% * 5.9714% (0.80 0.42 0.02) = 5.971% kept Peak 2800 (7.49, 0.33, 22.77 ppm): 4 chemical-shift based assignments, quality = 0.77, support = 1.82, residual support = 8.45: HN LYS+ 60 - QG1 VAL 71 25.000% * 46.8070% (1.00 1.46 1.81) = 46.807% kept HN LEU 76 - QG1 VAL 71 25.000% * 39.7163% (0.45 2.75 19.14) = 39.716% kept HN THR 39 - QG1 VAL 71 25.000% * 11.3101% (0.96 0.36 0.02) = 11.310% kept HN TYR 31 - QG1 VAL 71 25.000% * 2.1666% (0.80 0.08 0.02) = 2.167% kept Peak 2801 (7.72, 0.33, 22.77 ppm): 1 chemical-shift based assignment, quality = 0.996, support = 5.61, residual support = 42.0: HN LYS+ 72 - QG1 VAL 71 100.000% *100.0000% (1.00 5.61 42.01) = 100.000% kept Peak 2802 (7.73, 0.77, 63.23 ppm): 1 chemical-shift based assignment, quality = 0.763, support = 6.64, residual support = 42.0: HN LYS+ 72 - QG2 VAL 71 100.000% *100.0000% (0.76 6.64 42.01) = 100.000% kept Peak 2803 (10.50, 0.77, 63.23 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2804 (10.47, 0.33, 22.77 ppm): 1 chemical-shift based assignment, quality = 0.154, support = 1.79, residual support = 3.54: HE1 TRP 67 - QG1 VAL 71 100.000% *100.0000% (0.15 1.79 3.54) = 100.000% kept Not enough quality. Peak unassigned. Peak 2806 (0.32, 1.92, 32.15 ppm): 8 chemical-shift based assignments, quality = 0.821, support = 3.76, residual support = 53.9: O T QG1 VAL 71 - HB VAL 71 12.500% * 90.7733% (0.85 10.0 10.00 3.98 59.18) = 90.773% kept QG1 VAL 7 - HB VAL 71 12.500% * 5.4029% (0.78 1.0 1.00 1.29 0.59) = 5.403% kept QD1 LEU 63 - HB3 ARG+ 53 12.500% * 3.1437% (0.21 1.0 1.00 2.74 5.12) = 3.144% kept QG1 VAL 71 - HB3 ARG+ 53 12.500% * 0.5043% (0.21 1.0 1.00 0.44 0.02) = 0.504% QD1 LEU 63 - HB VAL 71 12.500% * 0.0908% (0.85 1.0 1.00 0.02 0.02) = 0.091% QD1 ILE 24 - HB VAL 71 12.500% * 0.0509% (0.48 1.0 1.00 0.02 1.80) = 0.051% QG1 VAL 7 - HB3 ARG+ 53 12.500% * 0.0212% (0.20 1.0 1.00 0.02 0.02) = 0.021% QD1 ILE 24 - HB3 ARG+ 53 12.500% * 0.0129% (0.12 1.0 1.00 0.02 0.22) = 0.013% Peak 2807 (0.76, 1.92, 32.15 ppm): 6 chemical-shift based assignments, quality = 0.932, support = 3.99, residual support = 55.7: O T QG2 VAL 71 - HB VAL 71 16.667% * 93.9663% (0.96 10.0 10.00 4.16 59.18) = 93.966% kept QD1 LEU 43 - HB VAL 71 16.667% * 3.0433% (0.75 1.0 1.00 0.83 0.10) = 3.043% kept QG1 VAL 61 - HB VAL 71 16.667% * 2.5778% (0.24 1.0 1.00 2.16 4.89) = 2.578% kept QG2 VAL 71 - HB3 ARG+ 53 16.667% * 0.3881% (0.24 1.0 1.00 0.33 0.02) = 0.388% QD1 LEU 43 - HB3 ARG+ 53 16.667% * 0.0185% (0.19 1.0 1.00 0.02 0.34) = 0.019% QG1 VAL 61 - HB3 ARG+ 53 16.667% * 0.0060% (0.06 1.0 1.00 0.02 0.69) = 0.006% Peak 2808 (7.47, 1.92, 32.15 ppm): 16 chemical-shift based assignments, quality = 0.532, support = 3.92, residual support = 47.4: O HN VAL 71 - HB VAL 71 6.250% * 76.1379% (0.48 10.0 4.74 59.18) = 76.138% kept HN LEU 76 - HB VAL 71 6.250% * 11.8602% (0.93 1.0 1.60 19.14) = 11.860% kept HN LYS+ 60 - HB VAL 71 6.250% * 4.0077% (0.24 1.0 2.06 1.81) = 4.008% kept HE21 GLN 8 - HB VAL 71 6.250% * 3.2673% (0.82 1.0 0.50 0.02) = 3.267% kept HN THR 39 - HB VAL 71 6.250% * 2.3922% (0.40 1.0 0.74 0.02) = 2.392% kept HN TYR 31 - HB VAL 71 6.250% * 1.9689% (0.63 1.0 0.39 0.02) = 1.969% kept HN GLU- 30 - HB VAL 71 6.250% * 0.1444% (0.90 1.0 0.02 0.02) = 0.144% HN LEU 76 - HB3 ARG+ 53 6.250% * 0.0374% (0.23 1.0 0.02 0.02) = 0.037% HN GLU- 30 - HB3 ARG+ 53 6.250% * 0.0365% (0.23 1.0 0.02 0.02) = 0.036% HD21 ASN 75 - HB VAL 71 6.250% * 0.0348% (0.22 1.0 0.02 2.55) = 0.035% HE21 GLN 8 - HB3 ARG+ 53 6.250% * 0.0330% (0.21 1.0 0.02 0.97) = 0.033% HN TYR 31 - HB3 ARG+ 53 6.250% * 0.0256% (0.16 1.0 0.02 0.02) = 0.026% HN VAL 71 - HB3 ARG+ 53 6.250% * 0.0192% (0.12 1.0 0.02 0.02) = 0.019% HN THR 39 - HB3 ARG+ 53 6.250% * 0.0163% (0.10 1.0 0.02 2.71) = 0.016% HN LYS+ 60 - HB3 ARG+ 53 6.250% * 0.0099% (0.06 1.0 0.02 0.02) = 0.010% HD21 ASN 75 - HB3 ARG+ 53 6.250% * 0.0088% (0.06 1.0 0.02 0.02) = 0.009% Peak 2809 (7.72, 1.92, 32.15 ppm): 2 chemical-shift based assignments, quality = 0.977, support = 5.67, residual support = 42.0: HN LYS+ 72 - HB VAL 71 50.000% * 99.9110% (0.98 5.68 42.01) = 99.911% kept HN LYS+ 72 - HB3 ARG+ 53 50.000% * 0.0890% (0.25 0.02 0.02) = 0.089% Peak 2810 (0.76, 4.00, 59.09 ppm): 3 chemical-shift based assignments, quality = 0.929, support = 4.09, residual support = 38.4: T QG2 VAL 71 - HA LYS+ 72 33.333% * 91.0443% (0.96 10.00 4.32 42.01) = 91.044% kept QD1 LEU 43 - HA LYS+ 72 33.333% * 6.5332% (0.79 1.00 1.73 1.10) = 6.533% kept QG1 VAL 61 - HA LYS+ 72 33.333% * 2.4225% (0.28 1.00 1.85 1.90) = 2.422% kept Peak 2811 (1.45, 1.87, 32.67 ppm): 6 chemical-shift based assignments, quality = 0.801, support = 4.3, residual support = 60.2: O HG3 LYS+ 72 - QB LYS+ 72 16.667% * 89.6923% (0.79 10.0 4.57 66.93) = 89.692% kept HB3 ASN 74 - QB LYS+ 72 16.667% * 10.0833% (0.89 1.0 2.01 1.71) = 10.083% kept HB2 LEU 63 - QB LYS+ 72 16.667% * 0.1060% (0.94 1.0 0.02 0.02) = 0.106% HB3 GLU- 23 - QB LYS+ 72 16.667% * 0.0589% (0.52 1.0 0.02 1.03) = 0.059% HB3 PHE 84 - QB LYS+ 72 16.667% * 0.0346% (0.31 1.0 0.02 0.02) = 0.035% HG13 ILE 38 - QB LYS+ 72 16.667% * 0.0249% (0.22 1.0 0.02 0.02) = 0.025% Peak 2812 (1.56, 1.87, 32.67 ppm): 3 chemical-shift based assignments, quality = 0.97, support = 3.99, residual support = 66.8: O HG2 LYS+ 72 - QB LYS+ 72 33.333% * 99.8722% (0.97 10.0 3.99 66.93) = 99.872% kept HG12 ILE 85 - QB LYS+ 72 33.333% * 0.0964% (0.94 1.0 0.02 0.02) = 0.096% QG ARG+ 90 - QB LYS+ 72 33.333% * 0.0314% (0.31 1.0 0.02 0.02) = 0.031% Peak 2813 (3.00, 1.56, 25.04 ppm): 6 chemical-shift based assignments, quality = 0.975, support = 2.23, residual support = 66.7: O QE LYS+ 72 - HG2 LYS+ 72 16.667% * 99.7304% (0.98 10.0 2.24 66.93) = 99.730% kept QE LYS+ 11 - HG2 LYS+ 72 16.667% * 0.0991% (0.97 1.0 0.02 2.56) = 0.099% QE LYS+ 20 - HG2 LYS+ 72 16.667% * 0.0687% (0.67 1.0 0.02 1.04) = 0.069% HB2 TYR 97 - HG2 LYS+ 72 16.667% * 0.0566% (0.55 1.0 0.02 0.02) = 0.057% HB3 ASN 69 - HG2 LYS+ 72 16.667% * 0.0278% (0.27 1.0 0.02 8.92) = 0.028% HD3 ARG+ 88 - HG2 LYS+ 72 16.667% * 0.0175% (0.17 1.0 0.02 0.02) = 0.018% Peak 2814 (3.00, 1.46, 25.04 ppm): 6 chemical-shift based assignments, quality = 0.969, support = 2.47, residual support = 65.3: O QE LYS+ 72 - HG3 LYS+ 72 16.667% * 97.5441% (0.98 10.0 2.52 66.93) = 97.544% kept QE LYS+ 20 - HG3 LYS+ 72 16.667% * 2.2594% (0.67 1.0 0.67 1.04) = 2.259% kept QE LYS+ 11 - HG3 LYS+ 72 16.667% * 0.0969% (0.97 1.0 0.02 2.56) = 0.097% HB2 TYR 97 - HG3 LYS+ 72 16.667% * 0.0553% (0.55 1.0 0.02 0.02) = 0.055% HB3 ASN 69 - HG3 LYS+ 72 16.667% * 0.0272% (0.27 1.0 0.02 8.92) = 0.027% HD3 ARG+ 88 - HG3 LYS+ 72 16.667% * 0.0171% (0.17 1.0 0.02 0.02) = 0.017% Peak 2815 (3.99, 1.46, 25.04 ppm): 5 chemical-shift based assignments, quality = 0.783, support = 4.68, residual support = 66.8: O T HA LYS+ 72 - HG3 LYS+ 72 20.000% * 99.7889% (0.78 10.0 10.00 4.69 66.93) = 99.789% kept HB2 SER 15 - HG3 LYS+ 72 20.000% * 0.1118% (0.88 1.0 1.00 0.02 0.49) = 0.112% HA1 GLY 5 - HG3 LYS+ 72 20.000% * 0.0607% (0.48 1.0 1.00 0.02 0.02) = 0.061% HB THR 51 - HG3 LYS+ 72 20.000% * 0.0218% (0.17 1.0 1.00 0.02 0.02) = 0.022% HA1 GLY 58 - HG3 LYS+ 72 20.000% * 0.0169% (0.13 1.0 1.00 0.02 0.02) = 0.017% Peak 2816 (3.99, 1.56, 25.04 ppm): 5 chemical-shift based assignments, quality = 0.783, support = 4.05, residual support = 66.8: O T HA LYS+ 72 - HG2 LYS+ 72 20.000% * 99.7889% (0.78 10.0 10.00 4.06 66.93) = 99.789% kept HB2 SER 15 - HG2 LYS+ 72 20.000% * 0.1118% (0.88 1.0 1.00 0.02 0.49) = 0.112% HA1 GLY 5 - HG2 LYS+ 72 20.000% * 0.0607% (0.48 1.0 1.00 0.02 0.02) = 0.061% HB THR 51 - HG2 LYS+ 72 20.000% * 0.0218% (0.17 1.0 1.00 0.02 0.02) = 0.022% HA1 GLY 58 - HG2 LYS+ 72 20.000% * 0.0169% (0.13 1.0 1.00 0.02 0.02) = 0.017% Peak 2817 (4.32, 1.87, 32.67 ppm): 7 chemical-shift based assignments, quality = 0.666, support = 3.64, residual support = 27.4: HA ASP- 73 - QB LYS+ 72 14.286% * 97.8820% (0.68 3.72 27.95) = 97.882% kept HA ALA 2 - QB LYS+ 72 14.286% * 0.7648% (0.99 0.02 0.02) = 0.765% HA PHE 28 - QB LYS+ 72 14.286% * 0.5265% (0.68 0.02 0.02) = 0.526% HB THR 4 - QB LYS+ 72 14.286% * 0.3436% (0.44 0.02 0.02) = 0.344% HA THR 4 - QB LYS+ 72 14.286% * 0.2131% (0.28 0.02 0.02) = 0.213% HA PRO 12 - QB LYS+ 72 14.286% * 0.1517% (0.20 0.02 0.28) = 0.152% HA ILE 38 - QB LYS+ 72 14.286% * 0.1183% (0.15 0.02 0.02) = 0.118% Peak 2818 (4.45, 1.87, 32.67 ppm): 6 chemical-shift based assignments, quality = 0.617, support = 0.773, residual support = 0.971: HA TYR 31 - QB LYS+ 72 16.667% * 50.4123% (0.76 0.67 0.26) = 50.412% kept HA VAL 61 - QB LYS+ 72 16.667% * 43.8297% (0.44 0.99 1.90) = 43.830% kept HB THR 64 - QB LYS+ 72 16.667% * 1.8641% (0.94 0.02 0.02) = 1.864% kept HA GLU- 6 - QB LYS+ 72 16.667% * 1.8191% (0.91 0.02 0.02) = 1.819% kept HA TRP 67 - QB LYS+ 72 16.667% * 1.1156% (0.56 0.02 0.19) = 1.116% kept HA1 GLY 98 - QB LYS+ 72 16.667% * 0.9592% (0.48 0.02 0.02) = 0.959% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2819 (7.72, 4.00, 59.09 ppm): 1 chemical-shift based assignment, quality = 0.972, support = 6.09, residual support = 66.9: O HN LYS+ 72 - HA LYS+ 72 100.000% *100.0000% (0.97 10.0 6.09 66.93) = 100.000% kept Peak 2820 (8.57, 4.00, 59.09 ppm): 3 chemical-shift based assignments, quality = 0.41, support = 4.01, residual support = 21.6: O HN ASP- 73 - HA LYS+ 72 33.333% * 76.3209% (0.31 10.0 4.82 27.95) = 76.321% kept HN VAL 94 - HA LYS+ 72 33.333% * 15.1137% (0.91 1.0 1.32 0.79) = 15.114% kept HN PHE 9 - HA LYS+ 72 33.333% * 8.5654% (0.44 1.0 1.55 1.56) = 8.565% kept Peak 2821 (7.72, 1.87, 32.67 ppm): 1 chemical-shift based assignment, quality = 0.972, support = 5.94, residual support = 66.9: O HN LYS+ 72 - QB LYS+ 72 100.000% *100.0000% (0.97 10.0 5.94 66.93) = 100.000% kept Peak 2822 (8.57, 1.87, 32.67 ppm): 3 chemical-shift based assignments, quality = 0.657, support = 3.98, residual support = 19.3: HN ASP- 73 - QB LYS+ 72 33.333% * 67.5435% (0.56 5.48 27.95) = 67.544% kept HN VAL 94 - QB LYS+ 72 33.333% * 16.6494% (0.99 0.77 0.79) = 16.649% kept HN PHE 9 - QB LYS+ 72 33.333% * 15.8071% (0.72 1.00 1.56) = 15.807% kept Peak 2823 (7.72, 1.46, 25.04 ppm): 1 chemical-shift based assignment, quality = 0.961, support = 5.71, residual support = 66.9: HN LYS+ 72 - HG3 LYS+ 72 100.000% *100.0000% (0.96 5.71 66.93) = 100.000% kept Peak 2824 (7.72, 1.56, 25.04 ppm): 1 chemical-shift based assignment, quality = 0.961, support = 5.04, residual support = 66.9: HN LYS+ 72 - HG2 LYS+ 72 100.000% *100.0000% (0.96 5.04 66.93) = 100.000% kept Peak 2825 (8.57, 1.46, 25.04 ppm): 3 chemical-shift based assignments, quality = 0.657, support = 3.02, residual support = 18.8: HN ASP- 73 - HG3 LYS+ 72 33.333% * 65.9406% (0.55 4.20 27.95) = 65.941% kept HN VAL 94 - HG3 LYS+ 72 33.333% * 18.3238% (0.98 0.66 0.79) = 18.324% kept HN PHE 9 - HG3 LYS+ 72 33.333% * 15.7357% (0.71 0.78 1.56) = 15.736% kept Peak 2826 (7.67, 4.33, 56.96 ppm): 1 chemical-shift based assignment, quality = 0.982, support = 1.39, residual support = 1.39: HN ASN 75 - HA ASP- 73 100.000% *100.0000% (0.98 1.39 1.39) = 100.000% kept Peak 2827 (8.56, 4.33, 56.96 ppm): 3 chemical-shift based assignments, quality = 0.803, support = 4.72, residual support = 15.6: O HN ASP- 73 - HA ASP- 73 33.333% * 92.0136% (0.79 10.0 5.06 16.89) = 92.014% kept HN PHE 9 - HA ASP- 73 33.333% * 5.0339% (0.91 1.0 0.95 0.39) = 5.034% kept HN VAL 94 - HA ASP- 73 33.333% * 2.9525% (0.89 1.0 0.57 0.02) = 2.953% kept Peak 2828 (6.76, 4.33, 56.96 ppm): 1 chemical-shift based assignment, quality = 0.221, support = 3.74, residual support = 8.5: O HN ASN 74 - HA ASP- 73 100.000% *100.0000% (0.22 10.0 3.74 8.50) = 100.000% kept Peak 2829 (2.13, 1.45, 39.10 ppm): 8 chemical-shift based assignments, quality = 0.755, support = 2.12, residual support = 19.1: O T HB2 ASN 74 - HB3 ASN 74 12.500% * 95.4613% (0.76 10.0 10.00 2.19 19.98) = 95.461% kept HB ILE 85 - HB3 ASN 74 12.500% * 2.9576% (0.83 1.0 1.00 0.57 0.63) = 2.958% kept HB2 MET 1 - HB3 ASN 74 12.500% * 1.2664% (0.60 1.0 1.00 0.33 0.30) = 1.266% kept QB MET 10 - HB3 ASN 74 12.500% * 0.1238% (0.98 1.0 1.00 0.02 4.79) = 0.124% HB3 MET 101 - HB3 ASN 74 12.500% * 0.1084% (0.86 1.0 1.00 0.02 0.02) = 0.108% QG GLN 8 - HB3 ASN 74 12.500% * 0.0386% (0.31 1.0 1.00 0.02 0.02) = 0.039% HB3 PRO 37 - HB3 ASN 74 12.500% * 0.0247% (0.20 1.0 1.00 0.02 0.02) = 0.025% HB2 GLU- 16 - HB3 ASN 74 12.500% * 0.0193% (0.15 1.0 1.00 0.02 0.02) = 0.019% Peak 2830 (0.62, 1.45, 39.10 ppm): 4 chemical-shift based assignments, quality = 0.848, support = 1.39, residual support = 4.49: T QD1 ILE 96 - HB3 ASN 74 25.000% * 98.6474% (0.86 10.00 1.41 4.55) = 98.647% kept QG2 ILE 24 - HB3 ASN 74 25.000% * 0.8025% (0.99 1.00 0.10 0.02) = 0.802% T HB2 LEU 22 - HB3 ASN 74 25.000% * 0.4015% (0.25 10.00 0.02 0.81) = 0.401% QD1 LEU 42 - HB3 ASN 74 25.000% * 0.1486% (0.91 1.00 0.02 0.02) = 0.149% Peak 2831 (0.41, 1.45, 39.10 ppm): 2 chemical-shift based assignments, quality = 0.944, support = 3.52, residual support = 25.7: T QD1 LEU 76 - HB3 ASN 74 50.000% * 88.7704% (0.98 10.00 3.48 25.68) = 88.770% kept QD2 LEU 76 - HB3 ASN 74 50.000% * 11.2296% (0.64 1.00 3.88 25.68) = 11.230% kept Peak 2832 (1.43, 2.14, 39.10 ppm): 5 chemical-shift based assignments, quality = 0.718, support = 2.19, residual support = 19.9: O T HB3 ASN 74 - HB2 ASN 74 20.000% * 99.7362% (0.72 10.0 10.00 2.19 19.98) = 99.736% kept HG13 ILE 38 - HB2 ASN 74 20.000% * 0.1232% (0.89 1.0 1.00 0.02 0.02) = 0.123% HB2 LEU 63 - HB2 ASN 74 20.000% * 0.0889% (0.64 1.0 1.00 0.02 0.02) = 0.089% HB3 LYS+ 60 - HB2 ASN 74 20.000% * 0.0306% (0.22 1.0 1.00 0.02 0.02) = 0.031% HG3 LYS+ 72 - HB2 ASN 74 20.000% * 0.0212% (0.15 1.0 1.00 0.02 1.71) = 0.021% Peak 2833 (0.98, 2.14, 39.10 ppm): 8 chemical-shift based assignments, quality = 0.825, support = 0.807, residual support = 2.78: T QG2 ILE 85 - HB2 ASN 74 12.500% * 72.1151% (0.97 10.00 0.85 0.63) = 72.115% kept T QD2 LEU 82 - HB2 ASN 74 12.500% * 11.1792% (0.25 10.00 0.52 0.02) = 11.179% kept HG LEU 76 - HB2 ASN 74 12.500% * 9.0693% (0.76 1.00 1.38 25.68) = 9.069% kept T HG3 LYS+ 56 - HB2 ASN 74 12.500% * 3.7724% (0.37 10.00 0.12 0.02) = 3.772% kept T QG2 ILE 14 - HB2 ASN 74 12.500% * 3.4686% (0.41 10.00 0.10 0.02) = 3.469% kept QG2 THR 64 - HB2 ASN 74 12.500% * 0.1662% (0.96 1.00 0.02 0.02) = 0.166% QG1 VAL 40 - HB2 ASN 74 12.500% * 0.1316% (0.76 1.00 0.02 0.02) = 0.132% QD1 ILE 38 - HB2 ASN 74 12.500% * 0.0975% (0.56 1.00 0.02 0.02) = 0.098% Peak 2834 (0.62, 2.14, 39.10 ppm): 4 chemical-shift based assignments, quality = 0.842, support = 1.38, residual support = 4.45: T QD1 ILE 96 - HB2 ASN 74 25.000% * 97.5597% (0.86 10.00 1.41 4.55) = 97.560% kept HB2 LEU 22 - HB2 ASN 74 25.000% * 1.4955% (0.25 1.00 0.75 0.81) = 1.496% kept QG2 ILE 24 - HB2 ASN 74 25.000% * 0.7971% (0.99 1.00 0.10 0.02) = 0.797% QD1 LEU 42 - HB2 ASN 74 25.000% * 0.1476% (0.91 1.00 0.02 0.02) = 0.148% Peak 2835 (0.42, 2.14, 39.10 ppm): 2 chemical-shift based assignments, quality = 0.906, support = 2.32, residual support = 25.7: T QD1 LEU 76 - HB2 ASN 74 50.000% * 54.3270% (0.97 10.00 2.61 25.68) = 54.327% kept T QD2 LEU 76 - HB2 ASN 74 50.000% * 45.6730% (0.83 10.00 1.97 25.68) = 45.673% kept Peak 2836 (4.47, 1.45, 39.10 ppm): 10 chemical-shift based assignments, quality = 0.754, support = 3.01, residual support = 19.7: O T HA ASN 74 - HB3 ASN 74 10.000% * 98.4324% (0.76 10.0 10.00 3.06 19.98) = 98.432% kept T HA ASN 100 - HB3 ASN 74 10.000% * 1.0313% (0.79 1.0 10.00 0.02 0.02) = 1.031% kept HA VAL 61 - HB3 ASN 74 10.000% * 0.1285% (0.99 1.0 1.00 0.02 0.02) = 0.129% HA TYR 31 - HB3 ASN 74 10.000% * 0.1076% (0.83 1.0 1.00 0.02 0.24) = 0.108% HA ASN 69 - HB3 ASN 74 10.000% * 0.1031% (0.79 1.0 1.00 0.02 0.02) = 0.103% HA LYS+ 60 - HB3 ASN 74 10.000% * 0.0678% (0.52 1.0 1.00 0.02 0.02) = 0.068% HA VAL 7 - HB3 ASN 74 10.000% * 0.0398% (0.31 1.0 1.00 0.02 2.94) = 0.040% HB THR 64 - HB3 ASN 74 10.000% * 0.0321% (0.25 1.0 1.00 0.02 0.02) = 0.032% HA MET 1 - HB3 ASN 74 10.000% * 0.0287% (0.22 1.0 1.00 0.02 0.30) = 0.029% HA GLU- 6 - HB3 ASN 74 10.000% * 0.0287% (0.22 1.0 1.00 0.02 0.02) = 0.029% Peak 2837 (6.73, 2.54, 37.74 ppm): 2 chemical-shift based assignments, quality = 0.573, support = 3.89, residual support = 58.3: O HD22 ASN 75 - HB3 ASN 75 50.000% * 51.2977% (0.22 10.0 3.43 85.93) = 51.298% kept HN ASN 74 - HB3 ASN 75 50.000% * 48.7023% (0.95 1.0 4.38 29.18) = 48.702% kept Peak 2838 (7.46, 2.54, 37.74 ppm): 8 chemical-shift based assignments, quality = 0.556, support = 4.5, residual support = 60.5: O HD21 ASN 75 - HB3 ASN 75 12.500% * 50.0690% (0.30 10.0 3.43 85.93) = 50.069% kept HN LEU 76 - HB3 ASN 75 12.500% * 43.9760% (0.85 1.0 6.25 39.69) = 43.976% kept HN TYR 31 - HB3 ASN 75 12.500% * 3.4166% (0.52 1.0 0.80 0.20) = 3.417% kept HN GLU- 30 - HB3 ASN 75 12.500% * 1.3499% (0.96 1.0 0.17 0.13) = 1.350% kept HN THR 39 - HB3 ASN 75 12.500% * 0.9119% (0.30 1.0 0.36 0.02) = 0.912% HE21 GLN 8 - HB3 ASN 75 12.500% * 0.1497% (0.90 1.0 0.02 0.02) = 0.150% HN VAL 71 - HB3 ASN 75 12.500% * 0.0984% (0.59 1.0 0.02 2.55) = 0.098% HN LYS+ 60 - HB3 ASN 75 12.500% * 0.0284% (0.17 1.0 0.02 0.02) = 0.028% Peak 2839 (7.68, 2.54, 37.74 ppm): 1 chemical-shift based assignment, quality = 0.595, support = 4.53, residual support = 85.9: O HN ASN 75 - HB3 ASN 75 100.000% *100.0000% (0.59 10.0 4.53 85.93) = 100.000% kept Peak 2840 (6.73, 2.88, 37.74 ppm): 2 chemical-shift based assignments, quality = 0.53, support = 4.14, residual support = 65.5: O HD22 ASN 75 - HB2 ASN 75 50.000% * 63.9918% (0.37 10.0 3.62 85.93) = 63.992% kept HN ASN 74 - HB2 ASN 75 50.000% * 36.0082% (0.82 1.0 5.06 29.18) = 36.008% kept Peak 2841 (7.69, 2.88, 37.74 ppm): 2 chemical-shift based assignments, quality = 0.243, support = 5.0, residual support = 82.9: O HN ASN 75 - HB2 ASN 75 50.000% * 96.4245% (0.24 10.0 5.15 85.93) = 96.424% kept HN LYS+ 72 - HB2 ASN 75 50.000% * 3.5755% (0.19 1.0 0.93 0.55) = 3.576% kept Peak 2842 (7.47, 2.88, 37.74 ppm): 8 chemical-shift based assignments, quality = 0.669, support = 4.16, residual support = 44.7: HN LEU 76 - HB2 ASN 75 12.500% * 47.9811% (0.96 1.0 5.75 39.69) = 47.981% kept O HD21 ASN 75 - HB2 ASN 75 12.500% * 29.8355% (0.17 10.0 3.62 85.93) = 29.836% kept HN TYR 31 - HB2 ASN 75 12.500% * 12.5035% (0.71 1.0 2.02 0.20) = 12.504% kept HN GLU- 30 - HB2 ASN 75 12.500% * 7.1100% (0.85 1.0 0.96 0.13) = 7.110% kept HN THR 39 - HB2 ASN 75 12.500% * 1.5102% (0.48 1.0 0.36 0.02) = 1.510% kept HN LYS+ 60 - HB2 ASN 75 12.500% * 0.8594% (0.30 1.0 0.33 0.02) = 0.859% HE21 GLN 8 - HB2 ASN 75 12.500% * 0.1302% (0.75 1.0 0.02 0.02) = 0.130% HN VAL 71 - HB2 ASN 75 12.500% * 0.0700% (0.40 1.0 0.02 2.55) = 0.070% Peak 2843 (7.47, 4.26, 54.11 ppm): 7 chemical-shift based assignments, quality = 0.944, support = 5.25, residual support = 37.8: O HN LEU 76 - HA ASN 75 14.286% * 95.1931% (0.96 10.0 5.49 39.69) = 95.193% kept HN TYR 31 - HA ASN 75 14.286% * 2.9203% (0.87 1.0 0.68 0.20) = 2.920% kept HN THR 39 - HA ASN 75 14.286% * 1.2015% (0.66 1.0 0.36 0.02) = 1.202% kept HN GLU- 30 - HA ASN 75 14.286% * 0.5601% (0.66 1.0 0.17 0.13) = 0.560% HE21 GLN 8 - HA ASN 75 14.286% * 0.0544% (0.55 1.0 0.02 0.02) = 0.054% HN LYS+ 60 - HA ASN 75 14.286% * 0.0467% (0.47 1.0 0.02 0.02) = 0.047% HN VAL 71 - HA ASN 75 14.286% * 0.0239% (0.24 1.0 0.02 2.55) = 0.024% Peak 2844 (7.69, 4.26, 54.11 ppm): 2 chemical-shift based assignments, quality = 0.239, support = 4.77, residual support = 82.5: O HN ASN 75 - HA ASN 75 50.000% * 95.9752% (0.24 10.0 4.92 85.93) = 95.975% kept HN LYS+ 72 - HA ASN 75 50.000% * 4.0248% (0.19 1.0 1.06 0.55) = 4.025% kept Peak 2845 (5.51, 1.45, 39.10 ppm): 1 chemical-shift based assignment, quality = 0.828, support = 1.48, residual support = 5.69: HA TYR 86 - HB3 ASN 74 100.000% *100.0000% (0.83 1.48 5.69) = 100.000% kept Peak 2846 (6.77, 1.45, 39.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2847 (7.71, 1.45, 39.10 ppm): 1 chemical-shift based assignment, quality = 0.72, support = 0.767, residual support = 1.71: HN LYS+ 72 - HB3 ASN 74 100.000% *100.0000% (0.72 0.77 1.71) = 100.000% kept Peak 2848 (5.51, 2.14, 39.10 ppm): 1 chemical-shift based assignment, quality = 0.828, support = 2.57, residual support = 5.69: HA TYR 86 - HB2 ASN 74 100.000% *100.0000% (0.83 2.57 5.69) = 100.000% kept Peak 2849 (6.77, 2.14, 39.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2850 (6.77, 4.49, 53.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2851 (-0.25, 0.99, 26.65 ppm): 1 chemical-shift based assignment, quality = 0.944, support = 5.31, residual support = 133.8: O T HB3 LEU 76 - HG LEU 76 100.000% *100.0000% (0.94 10.0 10.00 5.31 133.84) = 100.000% kept Peak 2852 (0.41, 0.99, 26.65 ppm): 2 chemical-shift based assignments, quality = 0.794, support = 4.51, residual support = 133.8: O QD1 LEU 76 - HG LEU 76 50.000% * 64.2600% (0.94 10.0 4.39 133.84) = 64.260% kept O QD2 LEU 76 - HG LEU 76 50.000% * 35.7400% (0.52 10.0 4.72 133.84) = 35.740% kept Peak 2853 (2.62, 0.99, 26.65 ppm): 6 chemical-shift based assignments, quality = 0.64, support = 0.768, residual support = 4.16: T HB2 ASP- 41 - HG LEU 76 16.667% * 63.4391% (0.56 10.00 0.65 0.45) = 63.439% kept HA VAL 71 - HG LEU 76 16.667% * 17.4588% (0.89 1.00 1.13 19.14) = 17.459% kept HG3 MET 10 - HG LEU 76 16.667% * 11.4023% (0.69 1.00 0.96 4.43) = 11.402% kept HB3 ASN 100 - HG LEU 76 16.667% * 7.2566% (0.65 1.00 0.65 0.42) = 7.257% kept HG2 MET 1 - HG LEU 76 16.667% * 0.3256% (0.94 1.00 0.02 0.02) = 0.326% HD3 PRO 35 - HG LEU 76 16.667% * 0.1174% (0.34 1.00 0.02 0.02) = 0.117% Peak 2854 (0.39, -0.25, 40.94 ppm): 1 chemical-shift based assignment, quality = 0.153, support = 6.15, residual support = 133.8: O T QD1 LEU 76 - HB3 LEU 76 100.000% *100.0000% (0.15 10.0 10.00 6.15 133.84) = 100.000% kept Peak 2855 (0.39, 0.81, 40.94 ppm): 1 chemical-shift based assignment, quality = 0.303, support = 4.93, residual support = 133.8: O QD1 LEU 76 - HB2 LEU 76 100.000% *100.0000% (0.30 10.0 4.93 133.84) = 100.000% kept Peak 2856 (0.40, 3.52, 56.69 ppm): 2 chemical-shift based assignments, quality = 0.438, support = 5.88, residual support = 133.8: T QD1 LEU 76 - HA LEU 76 50.000% * 77.3235% (0.52 10.00 6.01 133.84) = 77.323% kept T QD2 LEU 76 - HA LEU 76 50.000% * 22.6765% (0.15 10.00 5.45 133.84) = 22.677% kept Peak 2857 (-0.31, 0.81, 40.94 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2858 (-0.32, -0.25, 40.94 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2859 (-0.25, 0.41, 26.65 ppm): 1 chemical-shift based assignment, quality = 0.946, support = 6.15, residual support = 133.8: O T HB3 LEU 76 - QD1 LEU 76 100.000% *100.0000% (0.95 10.0 10.00 6.15 133.84) = 100.000% kept Peak 2860 (-0.31, 0.41, 26.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2861 (-0.25, 0.43, 24.06 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 5.45, residual support = 133.8: O HB3 LEU 76 - QD2 LEU 76 100.000% *100.0000% (1.00 10.0 5.45 133.84) = 100.000% kept Peak 2863 (0.77, 0.43, 24.06 ppm): 3 chemical-shift based assignments, quality = 0.54, support = 3.82, residual support = 23.4: T QG2 ILE 96 - QD2 LEU 76 33.333% * 49.8277% (0.20 10.00 4.32 30.20) = 49.828% kept QG2 VAL 71 - QD2 LEU 76 33.333% * 43.5230% (0.95 1.00 3.65 19.14) = 43.523% kept QD1 LEU 43 - QD2 LEU 76 33.333% * 6.6493% (0.45 1.00 1.18 0.23) = 6.649% kept Peak 2864 (0.95, 0.43, 24.06 ppm): 7 chemical-shift based assignments, quality = 0.831, support = 3.0, residual support = 8.55: T QD2 LEU 82 - QD2 LEU 76 14.286% * 53.0404% (0.90 10.00 3.52 9.80) = 53.040% kept T HG3 LYS+ 56 - QD2 LEU 76 14.286% * 45.1980% (0.76 10.00 2.48 7.42) = 45.198% kept QG2 ILE 14 - QD2 LEU 76 14.286% * 1.4223% (0.73 1.00 0.66 0.14) = 1.422% kept QG2 VAL 52 - QD2 LEU 76 14.286% * 0.2620% (0.99 1.00 0.09 0.02) = 0.262% HB3 ARG+ 48 - QD2 LEU 76 14.286% * 0.0591% (1.00 1.00 0.02 0.02) = 0.059% QD1 LEU 26 - QD2 LEU 76 14.286% * 0.0091% (0.15 1.00 0.02 0.02) = 0.009% QG2 ILE 85 - QD2 LEU 76 14.286% * 0.0091% (0.15 1.00 0.02 1.06) = 0.009% Peak 2865 (0.60, 0.43, 24.06 ppm): 4 chemical-shift based assignments, quality = 0.35, support = 3.08, residual support = 19.0: T QD1 ILE 96 - QD2 LEU 76 25.000% * 57.3599% (0.31 10.00 4.58 30.20) = 57.360% kept T QD1 LEU 42 - QD2 LEU 76 25.000% * 36.9561% (0.38 10.00 1.06 4.45) = 36.956% kept QG2 ILE 24 - QD2 LEU 76 25.000% * 5.6553% (0.61 1.00 1.00 0.42) = 5.655% kept QD2 LEU 22 - QD2 LEU 76 25.000% * 0.0287% (0.15 1.00 0.02 0.02) = 0.029% Peak 2866 (1.27, 0.43, 24.06 ppm): 4 chemical-shift based assignments, quality = 0.806, support = 2.2, residual support = 8.45: QD1 LEU 82 - QD2 LEU 76 25.000% * 59.1412% (0.90 2.50 9.80) = 59.141% kept HD2 LYS+ 56 - QD2 LEU 76 25.000% * 35.6504% (0.69 1.97 7.42) = 35.650% kept HB3 LEU 63 - QD2 LEU 76 25.000% * 5.1041% (0.61 0.32 0.22) = 5.104% kept QG2 THR 51 - QD2 LEU 76 25.000% * 0.1043% (0.20 0.02 0.02) = 0.104% Peak 2867 (1.56, 0.43, 24.06 ppm): 3 chemical-shift based assignments, quality = 0.955, support = 1.03, residual support = 3.1: HG2 LYS+ 72 - QD2 LEU 76 33.333% * 51.7666% (0.98 1.08 5.03) = 51.767% kept HG12 ILE 85 - QD2 LEU 76 33.333% * 46.8699% (0.95 1.01 1.06) = 46.870% kept QG ARG+ 90 - QD2 LEU 76 33.333% * 1.3635% (0.31 0.09 0.02) = 1.363% kept Peak 2868 (1.81, 0.43, 24.06 ppm): 9 chemical-shift based assignments, quality = 0.767, support = 1.84, residual support = 5.34: HG LEU 42 - QD2 LEU 76 11.111% * 43.6043% (1.00 2.16 4.45) = 43.604% kept HB3 LYS+ 17 - QD2 LEU 76 11.111% * 26.2838% (0.84 1.55 6.87) = 26.284% kept HG LEU 82 - QD2 LEU 76 11.111% * 15.6604% (0.31 2.50 9.80) = 15.660% kept HB ILE 24 - QD2 LEU 76 11.111% * 8.0957% (0.61 0.66 0.42) = 8.096% kept HD2 LYS+ 55 - QD2 LEU 76 11.111% * 5.2253% (0.28 0.93 0.42) = 5.225% kept HD3 PRO 25 - QD2 LEU 76 11.111% * 0.5953% (0.31 0.10 0.02) = 0.595% HG2 ARG+ 53 - QD2 LEU 76 11.111% * 0.4017% (0.99 0.02 0.02) = 0.402% HG3 ARG+ 53 - QD2 LEU 76 11.111% * 0.0710% (0.18 0.02 0.02) = 0.071% HB3 LYS+ 20 - QD2 LEU 76 11.111% * 0.0625% (0.15 0.02 0.02) = 0.063% Peak 2869 (2.13, 0.43, 24.06 ppm): 6 chemical-shift based assignments, quality = 0.91, support = 1.94, residual support = 21.3: T HB2 ASN 74 - QD2 LEU 76 16.667% * 80.9624% (0.90 10.00 1.97 25.68) = 80.962% kept QB MET 10 - QD2 LEU 76 16.667% * 10.0896% (0.99 1.00 2.22 4.43) = 10.090% kept HB ILE 85 - QD2 LEU 76 16.667% * 6.8480% (0.95 1.00 1.58 1.06) = 6.848% kept HB3 MET 101 - QD2 LEU 76 16.667% * 2.0179% (0.97 1.00 0.46 0.02) = 2.018% kept QG GLN 8 - QD2 LEU 76 16.667% * 0.0410% (0.45 1.00 0.02 0.02) = 0.041% HB2 MET 1 - QD2 LEU 76 16.667% * 0.0410% (0.45 1.00 0.02 0.02) = 0.041% Peak 2870 (2.59, 0.43, 24.06 ppm): 6 chemical-shift based assignments, quality = 0.662, support = 1.93, residual support = 3.69: HG3 MET 10 - QD2 LEU 76 16.667% * 57.2938% (0.76 2.50 4.43) = 57.294% kept HB3 ASN 100 - QD2 LEU 76 16.667% * 19.6598% (0.80 0.82 0.42) = 19.660% kept HE2 LYS+ 56 - QD2 LEU 76 16.667% * 14.3760% (0.22 2.15 7.42) = 14.376% kept HG2 MET 1 - QD2 LEU 76 16.667% * 4.4493% (0.45 0.33 0.02) = 4.449% kept HB3 PHE 13 - QD2 LEU 76 16.667% * 3.6261% (0.41 0.29 0.02) = 3.626% kept HD3 PRO 35 - QD2 LEU 76 16.667% * 0.5949% (0.99 0.02 0.02) = 0.595% Peak 2871 (3.00, 0.43, 24.06 ppm): 6 chemical-shift based assignments, quality = 0.844, support = 1.44, residual support = 2.51: HB2 TYR 97 - QD2 LEU 76 16.667% * 41.2464% (0.73 1.95 0.69) = 41.246% kept QE LYS+ 72 - QD2 LEU 76 16.667% * 37.7902% (0.95 1.37 5.03) = 37.790% kept QE LYS+ 11 - QD2 LEU 76 16.667% * 17.1972% (0.92 0.64 1.87) = 17.197% kept QE LYS+ 20 - QD2 LEU 76 16.667% * 3.4370% (0.84 0.14 0.02) = 3.437% kept HB3 ASN 69 - QD2 LEU 76 16.667% * 0.2393% (0.41 0.02 0.02) = 0.239% HA ARG+ 88 - QD2 LEU 76 16.667% * 0.0898% (0.15 0.02 0.02) = 0.090% Peak 2872 (3.52, 0.43, 24.06 ppm): 5 chemical-shift based assignments, quality = 0.979, support = 5.24, residual support = 127.8: T HA LEU 76 - QD2 LEU 76 20.000% * 95.4746% (0.98 10.00 5.45 133.84) = 95.475% kept HA GLU- 23 - QD2 LEU 76 20.000% * 4.2900% (1.00 1.00 0.88 0.96) = 4.290% kept HB3 SER 15 - QD2 LEU 76 20.000% * 0.0940% (0.97 1.00 0.02 0.02) = 0.094% QB SER 49 - QD2 LEU 76 20.000% * 0.0744% (0.76 1.00 0.02 0.02) = 0.074% HD3 PRO 37 - QD2 LEU 76 20.000% * 0.0669% (0.69 1.00 0.02 0.02) = 0.067% Peak 2873 (0.61, 0.41, 26.65 ppm): 3 chemical-shift based assignments, quality = 0.577, support = 3.07, residual support = 16.0: T QD1 LEU 42 - QD1 LEU 76 33.333% * 52.0647% (0.61 10.00 2.04 4.45) = 52.065% kept T QD1 ILE 96 - QD1 LEU 76 33.333% * 45.1624% (0.53 10.00 4.39 30.20) = 45.162% kept QG2 ILE 24 - QD1 LEU 76 33.333% * 2.7728% (0.84 1.00 0.77 0.42) = 2.773% kept Peak 2874 (0.77, 0.41, 26.65 ppm): 3 chemical-shift based assignments, quality = 0.633, support = 5.1, residual support = 22.2: QG2 VAL 71 - QD1 LEU 76 33.333% * 56.1475% (0.95 1.00 6.22 19.14) = 56.147% kept T QG2 ILE 96 - QD1 LEU 76 33.333% * 37.7395% (0.20 10.00 4.03 30.20) = 37.739% kept QD1 LEU 43 - QD1 LEU 76 33.333% * 6.1131% (0.45 1.00 1.43 0.23) = 6.113% kept Peak 2875 (0.96, 0.41, 26.65 ppm): 6 chemical-shift based assignments, quality = 0.956, support = 2.59, residual support = 8.33: T QD2 LEU 82 - QD1 LEU 76 16.667% * 49.4427% (1.00 10.00 2.97 9.80) = 49.443% kept T HG3 LYS+ 56 - QD1 LEU 76 16.667% * 46.8749% (0.95 10.00 2.35 7.42) = 46.875% kept QG2 ILE 14 - QD1 LEU 76 16.667% * 2.1267% (0.92 1.00 0.93 0.14) = 2.127% kept QG2 ILE 85 - QD1 LEU 76 16.667% * 0.8341% (0.31 1.00 1.09 1.06) = 0.834% QG2 VAL 52 - QD1 LEU 76 16.667% * 0.6759% (0.97 1.00 0.28 0.02) = 0.676% HB3 ARG+ 48 - QD1 LEU 76 16.667% * 0.0457% (0.92 1.00 0.02 0.02) = 0.046% Peak 2876 (1.27, 0.41, 26.65 ppm): 4 chemical-shift based assignments, quality = 0.796, support = 1.73, residual support = 8.25: QD1 LEU 82 - QD1 LEU 76 25.000% * 55.1116% (0.90 1.91 9.80) = 55.112% kept HD2 LYS+ 56 - QD1 LEU 76 25.000% * 38.1595% (0.69 1.73 7.42) = 38.160% kept HB3 LEU 63 - QD1 LEU 76 25.000% * 6.6015% (0.61 0.34 0.22) = 6.602% kept QG2 THR 51 - QD1 LEU 76 25.000% * 0.1274% (0.20 0.02 0.02) = 0.127% Peak 2877 (1.45, 0.41, 26.65 ppm): 6 chemical-shift based assignments, quality = 0.882, support = 3.18, residual support = 22.3: T HB3 ASN 74 - QD1 LEU 76 16.667% * 85.3928% (0.90 10.00 3.48 25.68) = 85.393% kept HG3 LYS+ 72 - QD1 LEU 76 16.667% * 7.4336% (0.80 1.00 1.95 5.03) = 7.434% kept HB2 LEU 63 - QD1 LEU 76 16.667% * 4.9676% (0.95 1.00 1.10 0.22) = 4.968% kept HB3 GLU- 23 - QD1 LEU 76 16.667% * 1.7560% (0.53 1.00 0.70 0.96) = 1.756% kept HG13 ILE 38 - QD1 LEU 76 16.667% * 0.3074% (0.22 1.00 0.29 0.02) = 0.307% HB3 PHE 84 - QD1 LEU 76 16.667% * 0.1426% (0.31 1.00 0.10 0.02) = 0.143% Peak 2878 (1.60, 0.41, 26.65 ppm): 6 chemical-shift based assignments, quality = 0.695, support = 2.3, residual support = 16.6: T HB ILE 96 - QD1 LEU 76 16.667% * 52.1302% (0.49 10.00 3.58 30.20) = 52.130% kept T QG LYS+ 80 - QD1 LEU 76 16.667% * 46.6482% (0.95 10.00 0.92 1.89) = 46.648% kept HG LEU 43 - QD1 LEU 76 16.667% * 0.7369% (0.34 1.00 0.40 0.23) = 0.737% QG ARG+ 90 - QD1 LEU 76 16.667% * 0.3317% (0.69 1.00 0.09 0.02) = 0.332% QB LEU 26 - QD1 LEU 76 16.667% * 0.1050% (0.98 1.00 0.02 0.02) = 0.105% HB VAL 94 - QD1 LEU 76 16.667% * 0.0480% (0.45 1.00 0.02 0.02) = 0.048% Peak 2879 (1.83, 0.41, 26.65 ppm): 9 chemical-shift based assignments, quality = 0.755, support = 1.29, residual support = 2.82: QE MET 10 - QD1 LEU 76 11.111% * 42.2907% (0.92 1.58 4.43) = 42.291% kept HB ILE 24 - QD1 LEU 76 11.111% * 23.5705% (0.84 0.97 0.42) = 23.571% kept HG LEU 42 - QD1 LEU 76 11.111% * 16.3011% (0.31 1.82 4.45) = 16.301% kept HD3 PRO 25 - QD1 LEU 76 11.111% * 10.3916% (1.00 0.36 0.02) = 10.392% kept HB3 LYS+ 11 - QD1 LEU 76 11.111% * 6.3417% (0.22 0.98 1.87) = 6.342% kept HB3 ARG+ 90 - QD1 LEU 76 11.111% * 0.4848% (0.84 0.02 0.02) = 0.485% HG3 PRO 33 - QD1 LEU 76 11.111% * 0.2602% (0.45 0.02 0.02) = 0.260% HG2 ARG+ 53 - QD1 LEU 76 11.111% * 0.1980% (0.34 0.02 0.02) = 0.198% HB3 PRO 33 - QD1 LEU 76 11.111% * 0.1614% (0.28 0.02 0.02) = 0.161% Peak 2880 (2.13, 0.41, 26.65 ppm): 6 chemical-shift based assignments, quality = 0.911, support = 2.51, residual support = 21.5: T HB2 ASN 74 - QD1 LEU 76 16.667% * 81.3140% (0.90 10.00 2.61 25.68) = 81.314% kept QB MET 10 - QD1 LEU 76 16.667% * 12.1608% (0.99 1.00 2.71 4.43) = 12.161% kept HB ILE 85 - QD1 LEU 76 16.667% * 4.5290% (0.95 1.00 1.06 1.06) = 4.529% kept HB3 MET 101 - QD1 LEU 76 16.667% * 1.9150% (0.97 1.00 0.44 0.02) = 1.915% kept QG GLN 8 - QD1 LEU 76 16.667% * 0.0406% (0.45 1.00 0.02 0.02) = 0.041% HB2 MET 1 - QD1 LEU 76 16.667% * 0.0406% (0.45 1.00 0.02 0.02) = 0.041% Peak 2881 (2.60, 0.41, 26.65 ppm): 6 chemical-shift based assignments, quality = 0.814, support = 2.75, residual support = 7.37: HG3 MET 10 - QD1 LEU 76 16.667% * 51.0149% (1.00 3.16 4.43) = 51.015% kept HA VAL 71 - QD1 LEU 76 16.667% * 26.2794% (0.45 3.62 19.14) = 26.279% kept HB3 ASN 100 - QD1 LEU 76 16.667% * 13.9268% (0.99 0.87 0.42) = 13.927% kept HG2 MET 1 - QD1 LEU 76 16.667% * 4.8028% (0.90 0.33 0.02) = 4.803% kept HB2 ASP- 41 - QD1 LEU 76 16.667% * 3.7168% (0.18 1.31 0.45) = 3.717% kept HD3 PRO 35 - QD1 LEU 76 16.667% * 0.2594% (0.80 0.02 0.02) = 0.259% Peak 2882 (3.52, 0.41, 26.65 ppm): 5 chemical-shift based assignments, quality = 0.874, support = 5.63, residual support = 122.4: T HA LEU 76 - QD1 LEU 76 20.000% * 91.3969% (0.87 10.00 6.01 133.84) = 91.397% kept HA GLU- 23 - QD1 LEU 76 20.000% * 8.4042% (0.97 1.00 1.65 0.96) = 8.404% kept HB3 SER 15 - QD1 LEU 76 20.000% * 0.0880% (0.84 1.00 0.02 0.02) = 0.088% QB SER 49 - QD1 LEU 76 20.000% * 0.0597% (0.57 1.00 0.02 0.02) = 0.060% HD3 PRO 37 - QD1 LEU 76 20.000% * 0.0513% (0.49 1.00 0.02 0.02) = 0.051% Peak 2883 (3.50, 0.99, 26.65 ppm): 5 chemical-shift based assignments, quality = 0.418, support = 4.96, residual support = 125.5: O HA LEU 76 - HG LEU 76 20.000% * 93.7526% (0.41 10.0 5.23 133.84) = 93.753% kept HA GLU- 23 - HG LEU 76 20.000% * 6.0055% (0.56 1.0 0.93 0.96) = 6.005% kept HD3 PRO 37 - HG LEU 76 20.000% * 0.1164% (0.14 1.0 0.08 0.02) = 0.116% HB3 SER 15 - HG LEU 76 20.000% * 0.0856% (0.37 1.0 0.02 0.02) = 0.086% QB SER 49 - HG LEU 76 20.000% * 0.0399% (0.17 1.0 0.02 0.02) = 0.040% Peak 2884 (0.97, 0.81, 40.94 ppm): 10 chemical-shift based assignments, quality = 0.594, support = 2.86, residual support = 60.0: O HG LEU 76 - HB2 LEU 76 10.000% * 43.7240% (0.40 10.0 1.00 5.12 133.84) = 43.724% kept T QG2 ILE 14 - HB2 LEU 76 10.000% * 30.1197% (0.75 1.0 10.00 0.74 0.14) = 30.120% kept T QG2 ILE 85 - HB2 LEU 76 10.000% * 9.7059% (0.90 1.0 10.00 0.20 1.06) = 9.706% kept HG3 LYS+ 56 - HB2 LEU 76 10.000% * 9.5406% (0.71 1.0 1.00 2.47 7.42) = 9.541% kept QD2 LEU 82 - HB2 LEU 76 10.000% * 6.5553% (0.55 1.0 1.00 2.18 9.80) = 6.555% kept QG2 VAL 52 - HB2 LEU 76 10.000% * 0.1784% (0.37 1.0 1.00 0.09 0.02) = 0.178% QG2 THR 64 - HB2 LEU 76 10.000% * 0.0731% (0.67 1.0 1.00 0.02 0.02) = 0.073% QG1 VAL 40 - HB2 LEU 76 10.000% * 0.0437% (0.40 1.0 1.00 0.02 0.02) = 0.044% HB3 ARG+ 48 - HB2 LEU 76 10.000% * 0.0328% (0.30 1.0 1.00 0.02 0.02) = 0.033% QD1 ILE 38 - HB2 LEU 76 10.000% * 0.0265% (0.24 1.0 1.00 0.02 0.02) = 0.027% Peak 2885 (0.97, -0.25, 40.94 ppm): 10 chemical-shift based assignments, quality = 0.484, support = 4.22, residual support = 95.9: O T HG LEU 76 - HB3 LEU 76 10.000% * 70.2441% (0.41 10.0 10.00 5.31 133.84) = 70.244% kept HG3 LYS+ 56 - HB3 LEU 76 10.000% * 11.2097% (0.72 1.0 1.00 1.81 7.42) = 11.210% kept QD2 LEU 82 - HB3 LEU 76 10.000% * 10.7583% (0.56 1.0 1.00 2.22 9.80) = 10.758% kept QG2 ILE 14 - HB3 LEU 76 10.000% * 5.6591% (0.76 1.0 1.00 0.87 0.14) = 5.659% kept QG2 ILE 85 - HB3 LEU 76 10.000% * 1.5593% (0.91 1.0 1.00 0.20 1.06) = 1.559% kept QG2 VAL 52 - HB3 LEU 76 10.000% * 0.2866% (0.37 1.0 1.00 0.09 0.02) = 0.287% QG2 THR 64 - HB3 LEU 76 10.000% * 0.1174% (0.68 1.0 1.00 0.02 0.02) = 0.117% QG1 VAL 40 - HB3 LEU 76 10.000% * 0.0702% (0.41 1.0 1.00 0.02 0.02) = 0.070% HB3 ARG+ 48 - HB3 LEU 76 10.000% * 0.0527% (0.31 1.0 1.00 0.02 0.02) = 0.053% QD1 ILE 38 - HB3 LEU 76 10.000% * 0.0426% (0.25 1.0 1.00 0.02 0.02) = 0.043% Peak 2886 (6.46, 3.52, 56.69 ppm): 1 chemical-shift based assignment, quality = 0.196, support = 3.67, residual support = 19.1: HD22 ASN 29 - HA LEU 76 100.000% *100.0000% (0.20 3.67 19.08) = 100.000% kept Peak 2887 (7.50, 3.52, 56.69 ppm): 4 chemical-shift based assignments, quality = 0.416, support = 4.76, residual support = 87.2: O HN LEU 76 - HA LEU 76 25.000% * 64.8523% (0.22 10.0 6.75 133.84) = 64.852% kept HN LYS+ 60 - HA LEU 76 25.000% * 14.6531% (0.91 1.0 1.09 1.32) = 14.653% kept HN THR 39 - HA LEU 76 25.000% * 13.3929% (0.76 1.0 1.20 1.31) = 13.393% kept HN TYR 31 - HA LEU 76 25.000% * 7.1017% (0.52 1.0 0.93 0.02) = 7.102% kept Peak 2888 (6.46, 0.81, 40.94 ppm): 1 chemical-shift based assignment, quality = 0.194, support = 3.68, residual support = 19.1: HD22 ASN 29 - HB2 LEU 76 100.000% *100.0000% (0.19 3.68 19.08) = 100.000% kept Peak 2889 (7.49, 0.81, 40.94 ppm): 4 chemical-shift based assignments, quality = 0.571, support = 4.9, residual support = 91.3: O HN LEU 76 - HB2 LEU 76 25.000% * 67.9174% (0.40 10.0 6.44 133.84) = 67.917% kept HN LYS+ 60 - HB2 LEU 76 25.000% * 17.5241% (0.98 1.0 2.12 1.32) = 17.524% kept HN THR 39 - HB2 LEU 76 25.000% * 9.0004% (0.93 1.0 1.15 1.31) = 9.000% kept HN TYR 31 - HB2 LEU 76 25.000% * 5.5581% (0.75 1.0 0.88 0.02) = 5.558% kept Peak 2890 (6.46, -0.25, 40.94 ppm): 1 chemical-shift based assignment, quality = 0.372, support = 2.93, residual support = 19.1: HD22 ASN 29 - HB3 LEU 76 100.000% *100.0000% (0.37 2.93 19.08) = 100.000% kept Peak 2891 (7.49, -0.25, 40.94 ppm): 4 chemical-shift based assignments, quality = 0.546, support = 5.4, residual support = 97.6: O HN LEU 76 - HB3 LEU 76 25.000% * 72.6913% (0.41 10.0 7.00 133.84) = 72.691% kept HN THR 39 - HB3 LEU 76 25.000% * 10.9663% (0.94 1.0 1.31 1.31) = 10.966% kept HN LYS+ 60 - HB3 LEU 76 25.000% * 9.8957% (0.99 1.0 1.12 1.32) = 9.896% kept HN TYR 31 - HB3 LEU 76 25.000% * 6.4467% (0.76 1.0 0.95 0.02) = 6.447% kept Peak 2892 (6.46, 0.99, 26.65 ppm): 1 chemical-shift based assignment, quality = 0.374, support = 2.93, residual support = 19.1: HD22 ASN 29 - HG LEU 76 100.000% *100.0000% (0.37 2.93 19.08) = 100.000% kept Peak 2893 (7.49, 0.99, 26.65 ppm): 4 chemical-shift based assignments, quality = 0.655, support = 3.75, residual support = 70.6: HN LEU 76 - HG LEU 76 25.000% * 52.4060% (0.41 6.30 133.84) = 52.406% kept HN THR 39 - HG LEU 76 25.000% * 22.6871% (0.94 1.19 1.31) = 22.687% kept HN LYS+ 60 - HG LEU 76 25.000% * 15.1099% (1.00 0.75 1.32) = 15.110% kept HN TYR 31 - HG LEU 76 25.000% * 9.7970% (0.76 0.63 0.02) = 9.797% kept Peak 2894 (5.50, 0.41, 26.65 ppm): 1 chemical-shift based assignment, quality = 0.991, support = 0.097, residual support = 0.02: HA TYR 86 - QD1 LEU 76 100.000% *100.0000% (0.99 0.10 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2895 (6.47, 0.41, 26.65 ppm): 1 chemical-shift based assignment, quality = 0.566, support = 2.93, residual support = 19.1: HD22 ASN 29 - QD1 LEU 76 100.000% *100.0000% (0.57 2.93 19.08) = 100.000% kept Peak 2896 (6.78, 0.41, 26.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2897 (7.05, 0.41, 26.65 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 1.5, residual support = 6.87: HN LYS+ 17 - QD1 LEU 76 100.000% *100.0000% (0.92 1.50 6.87) = 100.000% kept Peak 2898 (7.18, 0.41, 26.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2899 (7.49, 0.41, 26.65 ppm): 6 chemical-shift based assignments, quality = 0.733, support = 4.61, residual support = 83.0: HN LEU 76 - QD1 LEU 76 16.667% * 61.7462% (0.61 6.91 133.84) = 61.746% kept HN LYS+ 60 - QD1 LEU 76 16.667% * 15.8018% (0.95 1.13 1.32) = 15.802% kept HN THR 39 - QD1 LEU 76 16.667% * 12.8045% (1.00 0.87 1.31) = 12.805% kept HN TYR 31 - QD1 LEU 76 16.667% * 8.5633% (0.92 0.63 0.02) = 8.563% kept HN GLU- 30 - QD1 LEU 76 16.667% * 1.0388% (0.22 0.32 0.02) = 1.039% kept HE21 GLN 8 - QD1 LEU 76 16.667% * 0.0455% (0.15 0.02 0.02) = 0.045% Peak 2900 (7.71, 0.41, 26.65 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 2.22, residual support = 5.03: HN LYS+ 72 - QD1 LEU 76 100.000% *100.0000% (0.92 2.22 5.03) = 100.000% kept Peak 2901 (6.47, 0.43, 24.06 ppm): 1 chemical-shift based assignment, quality = 0.566, support = 2.93, residual support = 19.1: HD22 ASN 29 - QD2 LEU 76 100.000% *100.0000% (0.57 2.93 19.08) = 100.000% kept Peak 2902 (6.75, 0.43, 24.06 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 3.47, residual support = 25.7: HN ASN 74 - QD2 LEU 76 100.000% *100.0000% (0.61 3.47 25.68) = 100.000% kept Peak 2903 (7.07, 0.43, 24.06 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 2.15, residual support = 6.87: HN LYS+ 17 - QD2 LEU 76 100.000% *100.0000% (0.73 2.15 6.87) = 100.000% kept Peak 2904 (7.50, 0.43, 24.06 ppm): 4 chemical-shift based assignments, quality = 0.551, support = 3.19, residual support = 58.3: HN LEU 76 - QD2 LEU 76 25.000% * 43.1311% (0.22 6.26 133.84) = 43.131% kept HN LYS+ 60 - QD2 LEU 76 25.000% * 27.5468% (0.92 0.96 1.32) = 27.547% kept HN THR 39 - QD2 LEU 76 25.000% * 19.3056% (0.76 0.82 1.31) = 19.306% kept HN TYR 31 - QD2 LEU 76 25.000% * 10.0166% (0.53 0.62 0.02) = 10.017% kept Peak 2907 (6.44, 2.21, 33.97 ppm): 1 chemical-shift based assignment, quality = 0.477, support = 4.12, residual support = 45.6: O HN GLU- 77 - HB2 GLU- 77 100.000% *100.0000% (0.48 10.0 4.12 45.58) = 100.000% kept Peak 2908 (8.70, 2.21, 33.97 ppm): 4 chemical-shift based assignments, quality = 0.887, support = 3.69, residual support = 16.9: HN ASP- 78 - HB2 GLU- 77 25.000% * 84.5016% (0.97 4.19 19.82) = 84.502% kept HN LYS+ 56 - HB2 GLU- 77 25.000% * 10.6395% (0.52 0.99 0.70) = 10.640% kept HN LEU 82 - HB2 GLU- 77 25.000% * 4.4943% (0.24 0.89 1.07) = 4.494% kept HN GLY 98 - HB2 GLU- 77 25.000% * 0.3646% (0.88 0.02 0.02) = 0.365% Peak 2909 (6.46, 1.96, 33.97 ppm): 1 chemical-shift based assignment, quality = 0.329, support = 2.45, residual support = 4.79: HD22 ASN 29 - HB3 GLU- 77 100.000% *100.0000% (0.33 2.45 4.79) = 100.000% kept Peak 2910 (8.71, 1.96, 33.97 ppm): 7 chemical-shift based assignments, quality = 0.743, support = 3.11, residual support = 13.6: HN ASP- 78 - HB3 GLU- 77 14.286% * 67.5288% (0.70 4.23 19.82) = 67.529% kept HN LYS+ 56 - HB3 GLU- 77 14.286% * 20.7256% (0.95 0.96 0.70) = 20.726% kept HN LEU 82 - HB3 GLU- 77 14.286% * 9.0763% (0.74 0.54 1.07) = 9.076% kept HN PHE 13 - HB3 GLU- 77 14.286% * 2.3299% (0.30 0.34 0.02) = 2.330% kept HN GLY 98 - HB3 GLU- 77 14.286% * 0.1651% (0.36 0.02 0.02) = 0.165% HN GLY 27 - HB3 GLU- 77 14.286% * 0.0871% (0.19 0.02 0.02) = 0.087% HN MET 10 - HB3 GLU- 77 14.286% * 0.0871% (0.19 0.02 0.02) = 0.087% Peak 2911 (6.46, 2.21, 35.39 ppm): 1 chemical-shift based assignment, quality = 0.338, support = 2.34, residual support = 4.79: HD22 ASN 29 - QG GLU- 77 100.000% *100.0000% (0.34 2.34 4.79) = 100.000% kept Peak 2912 (8.72, 2.21, 35.39 ppm): 7 chemical-shift based assignments, quality = 0.678, support = 2.31, residual support = 10.3: HN ASP- 78 - QG GLU- 77 14.286% * 50.0778% (0.48 3.80 19.82) = 50.078% kept HN LYS+ 56 - QG GLU- 77 14.286% * 28.0918% (0.97 1.06 0.70) = 28.092% kept HN LEU 82 - QG GLU- 77 14.286% * 12.5910% (0.94 0.49 1.07) = 12.591% kept HN PHE 13 - QG GLU- 77 14.286% * 8.7252% (0.52 0.61 0.02) = 8.725% kept HN MET 10 - QG GLU- 77 14.286% * 0.2035% (0.37 0.02 0.02) = 0.203% HN GLY 27 - QG GLU- 77 14.286% * 0.2035% (0.37 0.02 0.02) = 0.203% HN GLY 98 - QG GLU- 77 14.286% * 0.1073% (0.20 0.02 0.02) = 0.107% Peak 2913 (4.65, 2.21, 35.39 ppm): 3 chemical-shift based assignments, quality = 0.914, support = 3.04, residual support = 45.5: O T HA GLU- 77 - QG GLU- 77 33.333% * 99.8595% (0.91 10.0 10.00 3.05 45.58) = 99.860% kept HA ASP- 3 - QG GLU- 77 33.333% * 0.0999% (0.91 1.0 1.00 0.02 0.02) = 0.100% HA ILE 96 - QG GLU- 77 33.333% * 0.0406% (0.37 1.0 1.00 0.02 1.18) = 0.041% Peak 2914 (4.64, 2.74, 41.00 ppm): 6 chemical-shift based assignments, quality = 0.453, support = 1.96, residual support = 10.7: HA GLU- 77 - QB ASP- 78 16.667% * 51.6354% (0.68 1.00 2.95 19.82) = 51.635% kept T HA ASP- 3 - HB3 TYR 97 16.667% * 39.3734% (0.23 10.00 0.67 0.32) = 39.373% kept HA ILE 96 - HB3 TYR 97 16.667% * 4.6565% (0.06 1.00 3.11 6.88) = 4.657% kept HA GLU- 77 - HB3 TYR 97 16.667% * 3.8953% (0.23 1.00 0.66 0.20) = 3.895% kept HA ASP- 3 - QB ASP- 78 16.667% * 0.3501% (0.68 1.00 0.02 0.02) = 0.350% HA ILE 96 - QB ASP- 78 16.667% * 0.0893% (0.17 1.00 0.02 0.02) = 0.089% Peak 2915 (7.06, 2.74, 41.00 ppm): 2 chemical-shift based assignments, quality = 0.854, support = 0.714, residual support = 2.05: HN LYS+ 17 - QB ASP- 78 50.000% * 94.0886% (0.89 0.75 2.17) = 94.089% kept HN LYS+ 17 - HB3 TYR 97 50.000% * 5.9114% (0.30 0.14 0.02) = 5.911% kept Peak 2916 (8.72, 2.74, 41.00 ppm): 14 chemical-shift based assignments, quality = 0.518, support = 2.96, residual support = 10.2: O HN ASP- 78 - QB ASP- 78 7.143% * 79.0318% (0.48 10.0 3.40 12.61) = 79.032% kept HN PHE 13 - QB ASP- 78 7.143% * 8.5085% (0.52 1.0 1.99 1.51) = 8.509% kept HN LEU 82 - QB ASP- 78 7.143% * 6.3529% (0.94 1.0 0.83 0.89) = 6.353% kept HN LYS+ 56 - QB ASP- 78 7.143% * 2.9884% (0.97 1.0 0.38 0.02) = 2.988% kept HN PHE 13 - HB3 TYR 97 7.143% * 1.6097% (0.17 1.0 1.12 0.02) = 1.610% kept HN GLY 98 - HB3 TYR 97 7.143% * 1.1824% (0.07 1.0 2.19 1.26) = 1.182% kept HN MET 10 - QB ASP- 78 7.143% * 0.0609% (0.37 1.0 0.02 0.02) = 0.061% HN GLY 27 - QB ASP- 78 7.143% * 0.0609% (0.37 1.0 0.02 0.02) = 0.061% HN LYS+ 56 - HB3 TYR 97 7.143% * 0.0534% (0.33 1.0 0.02 0.02) = 0.053% HN LEU 82 - HB3 TYR 97 7.143% * 0.0515% (0.31 1.0 0.02 0.02) = 0.052% HN GLY 98 - QB ASP- 78 7.143% * 0.0321% (0.20 1.0 0.02 0.02) = 0.032% HN ASP- 78 - HB3 TYR 97 7.143% * 0.0265% (0.16 1.0 0.02 0.02) = 0.027% HN GLY 27 - HB3 TYR 97 7.143% * 0.0204% (0.12 1.0 0.02 0.02) = 0.020% HN MET 10 - HB3 TYR 97 7.143% * 0.0204% (0.12 1.0 0.02 0.02) = 0.020% Peak 2917 (8.88, 2.74, 41.00 ppm): 6 chemical-shift based assignments, quality = 0.711, support = 2.11, residual support = 5.86: HN GLY 79 - QB ASP- 78 16.667% * 97.5156% (0.72 2.16 6.00) = 97.516% kept HN PHE 62 - QB ASP- 78 16.667% * 1.0773% (0.86 0.02 0.02) = 1.077% kept HN LEU 63 - QB ASP- 78 16.667% * 0.5568% (0.44 0.02 0.02) = 0.557% HN PHE 62 - HB3 TYR 97 16.667% * 0.3612% (0.29 0.02 0.02) = 0.361% HN GLY 79 - HB3 TYR 97 16.667% * 0.3024% (0.24 0.02 0.02) = 0.302% HN LEU 63 - HB3 TYR 97 16.667% * 0.1867% (0.15 0.02 0.02) = 0.187% Peak 2918 (7.58, 3.71, 45.16 ppm): 2 chemical-shift based assignments, quality = 0.677, support = 3.04, residual support = 8.77: O HN LYS+ 80 - HA2 GLY 79 50.000% * 99.7024% (0.68 10.0 3.05 8.80) = 99.702% kept HN ASN 29 - HA2 GLY 79 50.000% * 0.2976% (0.40 1.0 0.10 0.02) = 0.298% Peak 2919 (8.90, 3.71, 45.16 ppm): 5 chemical-shift based assignments, quality = 0.235, support = 2.59, residual support = 13.1: O HN GLY 79 - HA2 GLY 79 20.000% * 94.0918% (0.22 10.0 2.73 13.95) = 94.092% kept HN GLU- 16 - HA2 GLY 79 20.000% * 5.2991% (0.55 1.0 0.44 0.02) = 5.299% kept HN LEU 63 - HA2 GLY 79 20.000% * 0.3998% (0.93 1.0 0.02 0.02) = 0.400% HN PHE 62 - HA2 GLY 79 20.000% * 0.1442% (0.33 1.0 0.02 0.02) = 0.144% HN VAL 65 - HA2 GLY 79 20.000% * 0.0652% (0.15 1.0 0.02 0.02) = 0.065% Peak 2920 (8.90, 4.60, 45.16 ppm): 5 chemical-shift based assignments, quality = 0.223, support = 2.53, residual support = 13.6: O HN GLY 79 - HA1 GLY 79 20.000% * 97.5344% (0.22 10.0 2.60 13.95) = 97.534% kept HN GLU- 16 - HA1 GLY 79 20.000% * 1.8342% (0.55 1.0 0.15 0.02) = 1.834% kept HN LEU 63 - HA1 GLY 79 20.000% * 0.4144% (0.93 1.0 0.02 0.02) = 0.414% HN PHE 62 - HA1 GLY 79 20.000% * 0.1494% (0.33 1.0 0.02 0.02) = 0.149% HN VAL 65 - HA1 GLY 79 20.000% * 0.0676% (0.15 1.0 0.02 0.02) = 0.068% Peak 2921 (1.57, 2.21, 33.97 ppm): 4 chemical-shift based assignments, quality = 0.403, support = 1.61, residual support = 2.42: T QG LYS+ 80 - HB2 GLU- 77 25.000% * 71.6092% (0.22 10.00 1.92 3.03) = 71.609% kept HG2 LYS+ 72 - HB2 GLU- 77 25.000% * 15.1398% (0.85 1.00 1.04 1.50) = 15.140% kept HG12 ILE 85 - HB2 GLU- 77 25.000% * 10.9257% (0.98 1.00 0.65 0.19) = 10.926% kept QG ARG+ 90 - HB2 GLU- 77 25.000% * 2.3253% (0.48 1.00 0.29 0.02) = 2.325% kept Peak 2922 (1.95, 2.21, 35.39 ppm): 9 chemical-shift based assignments, quality = 0.979, support = 3.14, residual support = 45.4: O HB3 GLU- 77 - QG GLU- 77 11.111% * 99.6260% (0.98 10.0 3.15 45.58) = 99.626% kept HB3 ARG+ 53 - QG GLU- 77 11.111% * 0.0872% (0.86 1.0 0.02 0.02) = 0.087% HB3 GLN 83 - QG GLU- 77 11.111% * 0.0610% (0.60 1.0 0.02 0.02) = 0.061% QG PRO 37 - QG GLU- 77 11.111% * 0.0569% (0.56 1.0 0.02 0.02) = 0.057% HB3 TYR 31 - QG GLU- 77 11.111% * 0.0569% (0.56 1.0 0.02 0.02) = 0.057% QB GLU- 6 - QG GLU- 77 11.111% * 0.0310% (0.31 1.0 0.02 0.02) = 0.031% HB3 GLU- 16 - QG GLU- 77 11.111% * 0.0279% (0.28 1.0 0.02 0.02) = 0.028% HB2 LYS+ 60 - QG GLU- 77 11.111% * 0.0279% (0.28 1.0 0.02 0.02) = 0.028% HB VAL 65 - QG GLU- 77 11.111% * 0.0251% (0.25 1.0 0.02 0.02) = 0.025% Peak 2923 (1.56, 2.21, 35.39 ppm): 3 chemical-shift based assignments, quality = 0.953, support = 1.16, residual support = 1.18: HG2 LYS+ 72 - QG GLU- 77 33.333% * 75.2695% (0.97 1.40 1.50) = 75.269% kept HG12 ILE 85 - QG GLU- 77 33.333% * 23.1431% (0.94 0.45 0.19) = 23.143% kept QG ARG+ 90 - QG GLU- 77 33.333% * 1.5875% (0.31 0.09 0.02) = 1.587% kept Peak 2924 (2.98, 2.21, 35.39 ppm): 9 chemical-shift based assignments, quality = 0.501, support = 0.583, residual support = 0.822: QE LYS+ 72 - QG GLU- 77 11.111% * 48.6199% (0.34 1.08 1.50) = 48.620% kept QE LYS+ 55 - QG GLU- 77 11.111% * 13.2903% (0.72 0.14 0.02) = 13.290% kept HD3 ARG+ 88 - QG GLU- 77 11.111% * 11.7438% (0.94 0.09 0.14) = 11.744% kept HB3 PHE 9 - QG GLU- 77 11.111% * 8.0312% (0.34 0.18 0.02) = 8.031% kept HB2 ASP- 89 - QG GLU- 77 11.111% * 7.2241% (0.60 0.09 0.94) = 7.224% kept QE LYS+ 11 - QG GLU- 77 11.111% * 5.7229% (0.37 0.12 0.02) = 5.723% kept HD3 ARG+ 48 - QG GLU- 77 11.111% * 2.3690% (0.89 0.02 0.02) = 2.369% kept HE3 LYS+ 60 - QG GLU- 77 11.111% * 1.8145% (0.68 0.02 0.02) = 1.815% kept QE LYS+ 17 - QG GLU- 77 11.111% * 1.1843% (0.44 0.02 0.02) = 1.184% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2925 (2.18, 2.74, 41.00 ppm): 18 chemical-shift based assignments, quality = 0.669, support = 1.48, residual support = 6.32: HB2 PHE 84 - QB ASP- 78 5.556% * 35.3237% (0.99 0.75 0.24) = 35.324% kept HB2 LEU 82 - QB ASP- 78 5.556% * 31.5325% (0.83 0.80 0.89) = 31.532% kept HB2 GLU- 77 - QB ASP- 78 5.556% * 30.0634% (0.20 3.22 19.82) = 30.063% kept HB2 GLU- 59 - QB ASP- 78 5.556% * 0.5726% (0.60 0.02 0.02) = 0.573% HB2 LEU 42 - QB ASP- 78 5.556% * 0.3881% (0.41 0.02 0.02) = 0.388% QB GLU- 68 - QB ASP- 78 5.556% * 0.3220% (0.34 0.02 0.02) = 0.322% HB2 PHE 84 - HB3 TYR 97 5.556% * 0.3159% (0.33 0.02 0.02) = 0.316% HB2 LEU 82 - HB3 TYR 97 5.556% * 0.2644% (0.28 0.02 0.02) = 0.264% QG GLU- 6 - QB ASP- 78 5.556% * 0.2102% (0.22 0.02 0.02) = 0.210% HB2 GLU- 59 - HB3 TYR 97 5.556% * 0.1920% (0.20 0.02 0.02) = 0.192% QG GLN 8 - QB ASP- 78 5.556% * 0.1868% (0.20 0.02 0.02) = 0.187% HB2 MET 101 - QB ASP- 78 5.556% * 0.1457% (0.15 0.02 0.02) = 0.146% HB2 LEU 42 - HB3 TYR 97 5.556% * 0.1301% (0.14 0.02 0.02) = 0.130% QB GLU- 68 - HB3 TYR 97 5.556% * 0.1080% (0.11 0.02 0.30) = 0.108% QG GLU- 6 - HB3 TYR 97 5.556% * 0.0705% (0.07 0.02 0.02) = 0.070% QG GLN 8 - HB3 TYR 97 5.556% * 0.0626% (0.07 0.02 0.02) = 0.063% HB2 GLU- 77 - HB3 TYR 97 5.556% * 0.0626% (0.07 0.02 0.20) = 0.063% HB2 MET 101 - HB3 TYR 97 5.556% * 0.0488% (0.05 0.02 0.02) = 0.049% Peak 2926 (1.67, 4.60, 45.16 ppm): 9 chemical-shift based assignments, quality = 0.865, support = 0.218, residual support = 0.0199: HB3 LYS+ 55 - HA1 GLY 79 11.111% * 53.3786% (0.97 0.34 0.02) = 53.379% kept QD LYS+ 17 - HA1 GLY 79 11.111% * 15.2476% (0.95 0.10 0.02) = 15.248% kept QD LYS+ 11 - HA1 GLY 79 11.111% * 10.0122% (0.78 0.08 0.02) = 10.012% kept QB PRO 12 - HA1 GLY 79 11.111% * 8.5318% (0.63 0.08 0.02) = 8.532% kept HB2 LYS+ 56 - HA1 GLY 79 11.111% * 5.8092% (0.33 0.11 0.02) = 5.809% kept HB2 LEU 43 - HA1 GLY 79 11.111% * 3.0110% (0.93 0.02 0.02) = 3.011% kept HG2 PRO 25 - HA1 GLY 79 11.111% * 2.4326% (0.75 0.02 0.02) = 2.433% kept HD3 LYS+ 55 - HA1 GLY 79 11.111% * 1.0858% (0.33 0.02 0.02) = 1.086% kept QD LYS+ 60 - HA1 GLY 79 11.111% * 0.4911% (0.15 0.02 0.02) = 0.491% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2927 (0.78, 1.59, 26.65 ppm): 5 chemical-shift based assignments, quality = 0.583, support = 1.54, residual support = 2.4: T QG2 ILE 96 - QG LYS+ 80 20.000% * 88.1907% (0.61 10.00 1.57 2.16) = 88.191% kept HB2 LEU 76 - QG LYS+ 80 20.000% * 5.6112% (0.38 1.00 1.61 1.89) = 5.611% kept QG2 VAL 61 - QG LYS+ 80 20.000% * 4.8902% (0.41 1.00 1.28 7.87) = 4.890% kept QG2 VAL 71 - QG LYS+ 80 20.000% * 1.2446% (0.53 1.00 0.26 0.02) = 1.245% kept HG LEU 22 - QG LYS+ 80 20.000% * 0.0633% (0.34 1.00 0.02 0.02) = 0.063% Peak 2928 (0.41, 1.59, 26.65 ppm): 2 chemical-shift based assignments, quality = 0.797, support = 0.996, residual support = 1.89: T QD1 LEU 76 - QG LYS+ 80 50.000% * 91.7814% (0.84 10.00 0.92 1.89) = 91.781% kept QD2 LEU 76 - QG LYS+ 80 50.000% * 8.2186% (0.38 1.00 1.84 1.89) = 8.219% kept Peak 2929 (2.20, 1.59, 26.65 ppm): 7 chemical-shift based assignments, quality = 0.928, support = 1.85, residual support = 2.92: T HB2 GLU- 77 - QG LYS+ 80 14.286% * 89.3939% (0.95 10.00 1.92 3.03) = 89.394% kept QG GLU- 77 - QG LYS+ 80 14.286% * 6.7934% (0.76 1.00 1.81 3.03) = 6.793% kept QG GLU- 6 - QG LYS+ 80 14.286% * 1.6715% (0.97 1.00 0.35 0.02) = 1.671% kept HB2 MET 101 - QG LYS+ 80 14.286% * 1.6450% (0.90 1.00 0.37 0.02) = 1.645% kept HB2 PHE 84 - QG LYS+ 80 14.286% * 0.3003% (0.31 1.00 0.20 0.02) = 0.300% QB GLU- 68 - QG LYS+ 80 14.286% * 0.0984% (1.00 1.00 0.02 0.02) = 0.098% HB2 LEU 42 - QG LYS+ 80 14.286% * 0.0976% (0.99 1.00 0.02 0.02) = 0.098% Peak 2930 (2.98, 1.59, 26.65 ppm): 9 chemical-shift based assignments, quality = 0.655, support = 0.54, residual support = 0.13: HD3 ARG+ 88 - QG LYS+ 80 11.111% * 34.0658% (0.80 0.69 0.16) = 34.066% kept HD3 ARG+ 48 - QG LYS+ 80 11.111% * 26.7878% (0.73 0.60 0.22) = 26.788% kept QE LYS+ 55 - QG LYS+ 80 11.111% * 16.9383% (0.53 0.53 0.02) = 16.938% kept HB2 ASP- 89 - QG LYS+ 80 11.111% * 8.0782% (0.41 0.32 0.02) = 8.078% kept HE3 LYS+ 60 - QG LYS+ 80 11.111% * 6.9299% (0.49 0.23 0.16) = 6.930% kept QE LYS+ 72 - QG LYS+ 80 11.111% * 5.9240% (0.53 0.18 0.02) = 5.924% kept QE LYS+ 11 - QG LYS+ 80 11.111% * 0.6933% (0.57 0.02 0.02) = 0.693% QE LYS+ 17 - QG LYS+ 80 11.111% * 0.3405% (0.28 0.02 0.02) = 0.340% HB3 PHE 9 - QG LYS+ 80 11.111% * 0.2423% (0.20 0.02 0.02) = 0.242% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2931 (5.07, 1.59, 26.65 ppm): 3 chemical-shift based assignments, quality = 0.887, support = 1.74, residual support = 11.5: O HA LYS+ 80 - QG LYS+ 80 33.333% * 96.8249% (0.90 10.0 1.77 11.89) = 96.825% kept HA LYS+ 56 - QG LYS+ 80 33.333% * 3.0864% (0.61 1.0 0.83 0.15) = 3.086% kept HA1 GLY 66 - QG LYS+ 80 33.333% * 0.0886% (0.73 1.0 0.02 0.02) = 0.089% Peak 2932 (6.46, 1.59, 26.65 ppm): 1 chemical-shift based assignment, quality = 0.448, support = 0.101, residual support = 0.101: HD22 ASN 29 - QG LYS+ 80 100.000% *100.0000% (0.45 0.10 0.10) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2933 (7.58, 1.59, 26.65 ppm): 2 chemical-shift based assignments, quality = 0.51, support = 2.79, residual support = 11.4: HN LYS+ 80 - QG LYS+ 80 50.000% * 96.2225% (0.52 2.89 11.89) = 96.222% kept HN ASN 29 - QG LYS+ 80 50.000% * 3.7775% (0.25 0.24 0.10) = 3.778% kept Peak 2934 (9.23, 1.59, 26.65 ppm): 3 chemical-shift based assignments, quality = 0.918, support = 0.857, residual support = 0.816: HN GLY 58 - QG LYS+ 80 33.333% * 47.7388% (0.98 0.86 0.62) = 47.739% kept HN ARG+ 57 - QG LYS+ 80 33.333% * 47.2363% (0.92 0.91 1.10) = 47.236% kept HN ARG+ 90 - QG LYS+ 80 33.333% * 5.0248% (0.28 0.32 0.02) = 5.025% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2935 (9.22, 5.08, 55.39 ppm): 2 chemical-shift based assignments, quality = 0.793, support = 0.887, residual support = 0.927: HN ARG+ 57 - HA LYS+ 80 50.000% * 63.8929% (0.90 0.93 1.10) = 63.893% kept HN GLY 58 - HA LYS+ 80 50.000% * 36.1071% (0.59 0.80 0.62) = 36.107% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 2936 (1.78, 2.17, 45.70 ppm): 8 chemical-shift based assignments, quality = 0.893, support = 4.78, residual support = 76.0: O HG LEU 82 - HB2 LEU 82 12.500% * 91.9745% (0.91 10.0 5.07 82.56) = 91.974% kept HB ILE 95 - HB2 LEU 82 12.500% * 6.3467% (0.72 1.0 1.75 0.38) = 6.347% kept HB2 LYS+ 55 - HB2 LEU 82 12.500% * 1.2921% (0.44 1.0 0.58 4.95) = 1.292% kept HB3 LYS+ 20 - HB2 LEU 82 12.500% * 0.0996% (0.99 1.0 0.02 0.02) = 0.100% HG3 ARG+ 53 - HB2 LEU 82 12.500% * 0.0994% (0.99 1.0 0.02 0.02) = 0.099% HD2 LYS+ 55 - HB2 LEU 82 12.500% * 0.0943% (0.94 1.0 0.02 4.95) = 0.094% HB VAL 61 - HB2 LEU 82 12.500% * 0.0524% (0.52 1.0 0.02 0.02) = 0.052% HB3 LYS+ 17 - HB2 LEU 82 12.500% * 0.0410% (0.41 1.0 0.02 0.41) = 0.041% Peak 2937 (0.95, 2.17, 45.70 ppm): 7 chemical-shift based assignments, quality = 0.865, support = 3.68, residual support = 59.2: O T QD2 LEU 82 - HB2 LEU 82 14.286% * 71.2449% (0.89 10.0 10.00 4.82 82.56) = 71.245% kept T HG3 LYS+ 56 - HB2 LEU 82 14.286% * 16.2313% (0.76 1.0 10.00 0.53 0.72) = 16.231% kept QG2 VAL 52 - HB2 LEU 82 14.286% * 7.8529% (0.98 1.0 1.00 1.99 3.48) = 7.853% kept T QG2 ILE 14 - HB2 LEU 82 14.286% * 4.3463% (0.72 1.0 10.00 0.15 0.54) = 4.346% kept T QD1 LEU 26 - HB2 LEU 82 14.286% * 0.1226% (0.15 1.0 10.00 0.02 0.97) = 0.123% T QG2 ILE 85 - HB2 LEU 82 14.286% * 0.1226% (0.15 1.0 10.00 0.02 0.02) = 0.123% HB3 ARG+ 48 - HB2 LEU 82 14.286% * 0.0794% (0.99 1.0 1.00 0.02 0.02) = 0.079% Peak 2938 (0.26, 2.17, 45.70 ppm): 2 chemical-shift based assignments, quality = 0.957, support = 2.56, residual support = 11.3: T QG2 VAL 94 - HB2 LEU 82 50.000% * 90.4339% (0.96 10.00 2.61 10.73) = 90.434% kept QD1 LEU 22 - HB2 LEU 82 50.000% * 9.5661% (0.96 1.00 2.12 16.86) = 9.566% kept Peak 2939 (0.94, 1.25, 45.70 ppm): 6 chemical-shift based assignments, quality = 0.434, support = 2.72, residual support = 35.4: T QG2 VAL 52 - HB3 LEU 82 16.667% * 46.9755% (0.52 1.0 10.00 1.49 3.48) = 46.975% kept O T QD2 LEU 82 - HB3 LEU 82 16.667% * 40.8383% (0.34 10.0 10.00 4.66 82.56) = 40.838% kept T HG3 LYS+ 56 - HB3 LEU 82 16.667% * 6.4090% (0.22 1.0 10.00 0.48 0.72) = 6.409% kept QD1 LEU 26 - HB3 LEU 82 16.667% * 5.6810% (0.64 1.0 1.00 1.47 0.97) = 5.681% kept HB3 ARG+ 48 - HB3 LEU 82 16.667% * 0.0726% (0.60 1.0 1.00 0.02 0.02) = 0.073% QG2 ILE 14 - HB3 LEU 82 16.667% * 0.0237% (0.20 1.0 1.00 0.02 0.54) = 0.024% Peak 2940 (1.77, 1.25, 45.70 ppm): 10 chemical-shift based assignments, quality = 0.717, support = 4.2, residual support = 66.8: O T HG LEU 82 - HB3 LEU 82 10.000% * 80.7040% (0.68 10.0 10.00 4.97 82.56) = 80.704% kept HB ILE 95 - HB3 LEU 82 10.000% * 9.7221% (0.94 1.0 1.00 1.75 0.38) = 9.722% kept T HG3 ARG+ 53 - HB3 LEU 82 10.000% * 7.1849% (0.86 1.0 10.00 0.14 0.02) = 7.185% kept HB2 LYS+ 55 - HB3 LEU 82 10.000% * 2.0372% (0.72 1.0 1.00 0.48 4.95) = 2.037% kept HB3 LYS+ 20 - HB3 LEU 82 10.000% * 0.1054% (0.89 1.0 1.00 0.02 0.02) = 0.105% HB VAL 61 - HB3 LEU 82 10.000% * 0.0941% (0.79 1.0 1.00 0.02 0.02) = 0.094% HD2 LYS+ 55 - HB3 LEU 82 10.000% * 0.0853% (0.72 1.0 1.00 0.02 4.95) = 0.085% HB ILE 14 - HB3 LEU 82 10.000% * 0.0233% (0.20 1.0 1.00 0.02 0.54) = 0.023% HB3 LYS+ 17 - HB3 LEU 82 10.000% * 0.0233% (0.20 1.0 1.00 0.02 0.41) = 0.023% HB3 PRO 25 - HB3 LEU 82 10.000% * 0.0206% (0.17 1.0 1.00 0.02 0.02) = 0.021% Peak 2941 (1.24, 1.73, 27.95 ppm): 10 chemical-shift based assignments, quality = 0.855, support = 0.332, residual support = 0.751: HB3 LYS+ 56 - HG12 ILE 38 10.000% * 66.2679% (0.98 0.43 1.10) = 66.268% kept QG1 VAL 65 - HG12 ILE 38 10.000% * 16.4496% (0.72 0.15 0.11) = 16.450% kept HB3 LEU 42 - HG12 ILE 38 10.000% * 11.8544% (0.52 0.14 0.02) = 11.854% kept HB3 LEU 82 - HG12 ILE 38 10.000% * 2.8009% (0.89 0.02 0.02) = 2.801% kept HB3 LYS+ 56 - QD LYS+ 60 10.000% * 1.4645% (0.04 0.23 0.02) = 1.464% kept HG3 GLU- 23 - HG12 ILE 38 10.000% * 0.5469% (0.17 0.02 0.02) = 0.547% QG1 VAL 65 - QD LYS+ 60 10.000% * 0.4081% (0.03 0.09 0.02) = 0.408% HB3 LEU 82 - QD LYS+ 60 10.000% * 0.1166% (0.04 0.02 0.02) = 0.117% HB3 LEU 42 - QD LYS+ 60 10.000% * 0.0684% (0.02 0.02 0.02) = 0.068% HG3 GLU- 23 - QD LYS+ 60 10.000% * 0.0228% (0.01 0.02 0.02) = 0.023% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2942 (1.24, 1.79, 27.95 ppm): 20 chemical-shift based assignments, quality = 0.835, support = 4.91, residual support = 86.0: O T HB3 LEU 82 - HG LEU 82 5.000% * 93.6285% (0.89 10.0 10.00 4.97 82.56) = 93.629% kept O T HB3 LEU 42 - HG LEU 42 5.000% * 5.0893% (0.05 10.0 10.00 5.00 171.06) = 5.089% kept T HB3 LEU 42 - HG LEU 82 5.000% * 0.5493% (0.52 1.0 10.00 0.02 0.21) = 0.549% T HB3 LEU 82 - HG3 ARG+ 53 5.000% * 0.2281% (0.22 1.0 10.00 0.02 0.02) = 0.228% T HB3 LEU 42 - HG3 ARG+ 53 5.000% * 0.1338% (0.13 1.0 10.00 0.02 2.89) = 0.134% HB3 LYS+ 56 - HG LEU 82 5.000% * 0.1023% (0.97 1.0 1.00 0.02 0.72) = 0.102% QG1 VAL 65 - HG LEU 82 5.000% * 0.0758% (0.72 1.0 1.00 0.02 0.02) = 0.076% T HB3 LEU 42 - HG2 ARG+ 53 5.000% * 0.0460% (0.04 1.0 10.00 0.02 2.89) = 0.046% HB3 LYS+ 56 - HG3 ARG+ 53 5.000% * 0.0249% (0.24 1.0 1.00 0.02 0.02) = 0.025% QG1 VAL 65 - HG3 ARG+ 53 5.000% * 0.0185% (0.18 1.0 1.00 0.02 1.28) = 0.018% HG3 GLU- 23 - HG LEU 82 5.000% * 0.0183% (0.17 1.0 1.00 0.02 0.66) = 0.018% HG3 GLU- 23 - HG LEU 42 5.000% * 0.0182% (0.02 1.0 1.00 0.21 0.02) = 0.018% HG3 GLU- 23 - HG2 ARG+ 53 5.000% * 0.0146% (0.01 1.0 1.00 0.19 0.02) = 0.015% HB3 LYS+ 56 - HG LEU 42 5.000% * 0.0095% (0.09 1.0 1.00 0.02 0.55) = 0.009% HB3 LEU 82 - HG LEU 42 5.000% * 0.0087% (0.08 1.0 1.00 0.02 0.21) = 0.009% HB3 LYS+ 56 - HG2 ARG+ 53 5.000% * 0.0086% (0.08 1.0 1.00 0.02 0.02) = 0.009% HB3 LEU 82 - HG2 ARG+ 53 5.000% * 0.0078% (0.07 1.0 1.00 0.02 0.02) = 0.008% QG1 VAL 65 - HG LEU 42 5.000% * 0.0070% (0.07 1.0 1.00 0.02 0.02) = 0.007% QG1 VAL 65 - HG2 ARG+ 53 5.000% * 0.0064% (0.06 1.0 1.00 0.02 1.28) = 0.006% HG3 GLU- 23 - HG3 ARG+ 53 5.000% * 0.0045% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 2943 (0.95, 1.79, 27.95 ppm): 28 chemical-shift based assignments, quality = 0.832, support = 3.7, residual support = 63.3: O T QD2 LEU 82 - HG LEU 82 3.571% * 74.7319% (0.89 10.0 10.00 4.50 82.56) = 74.732% kept T HG3 LYS+ 56 - HG LEU 82 3.571% * 8.9815% (0.76 1.0 10.00 0.28 0.72) = 8.981% kept QG2 VAL 52 - HG LEU 82 3.571% * 8.4906% (0.98 1.0 1.00 2.06 3.48) = 8.491% kept QG2 VAL 52 - HG3 ARG+ 53 3.571% * 3.5988% (0.24 1.0 1.00 3.58 35.38) = 3.599% kept T QD2 LEU 82 - HG3 ARG+ 53 3.571% * 2.4119% (0.22 1.0 10.00 0.26 0.02) = 2.412% kept T HG3 LYS+ 56 - HG3 ARG+ 53 3.571% * 1.3744% (0.18 1.0 10.00 0.18 0.02) = 1.374% kept HB3 ARG+ 48 - HG LEU 82 3.571% * 0.0833% (0.99 1.0 1.00 0.02 0.02) = 0.083% T QG2 VAL 52 - HG LEU 42 3.571% * 0.0765% (0.09 1.0 10.00 0.02 10.25) = 0.077% T QG2 VAL 52 - HG2 ARG+ 53 3.571% * 0.0692% (0.08 1.0 10.00 0.02 35.38) = 0.069% QG2 ILE 14 - HG LEU 82 3.571% * 0.0605% (0.72 1.0 1.00 0.02 0.54) = 0.061% HB3 ARG+ 48 - HG3 ARG+ 53 3.571% * 0.0203% (0.24 1.0 1.00 0.02 0.85) = 0.020% QG2 ILE 14 - HG3 ARG+ 53 3.571% * 0.0147% (0.18 1.0 1.00 0.02 0.02) = 0.015% QD1 LEU 26 - HG LEU 82 3.571% * 0.0129% (0.15 1.0 1.00 0.02 0.97) = 0.013% QG2 ILE 85 - HG LEU 82 3.571% * 0.0129% (0.15 1.0 1.00 0.02 0.02) = 0.013% HB3 ARG+ 48 - HG LEU 42 3.571% * 0.0077% (0.09 1.0 1.00 0.02 0.02) = 0.008% HB3 ARG+ 48 - HG2 ARG+ 53 3.571% * 0.0070% (0.08 1.0 1.00 0.02 0.85) = 0.007% QD2 LEU 82 - HG LEU 42 3.571% * 0.0069% (0.08 1.0 1.00 0.02 0.21) = 0.007% QD2 LEU 82 - HG2 ARG+ 53 3.571% * 0.0063% (0.07 1.0 1.00 0.02 0.02) = 0.006% HG3 LYS+ 56 - HG LEU 42 3.571% * 0.0059% (0.07 1.0 1.00 0.02 0.55) = 0.006% QG2 ILE 14 - HG LEU 42 3.571% * 0.0056% (0.07 1.0 1.00 0.02 0.02) = 0.006% HG3 LYS+ 56 - HG2 ARG+ 53 3.571% * 0.0053% (0.06 1.0 1.00 0.02 0.02) = 0.005% QG2 ILE 14 - HG2 ARG+ 53 3.571% * 0.0051% (0.06 1.0 1.00 0.02 0.02) = 0.005% QD1 LEU 26 - HG3 ARG+ 53 3.571% * 0.0031% (0.04 1.0 1.00 0.02 0.02) = 0.003% QG2 ILE 85 - HG3 ARG+ 53 3.571% * 0.0031% (0.04 1.0 1.00 0.02 0.02) = 0.003% QD1 LEU 26 - HG LEU 42 3.571% * 0.0012% (0.01 1.0 1.00 0.02 0.02) = 0.001% QG2 ILE 85 - HG LEU 42 3.571% * 0.0012% (0.01 1.0 1.00 0.02 1.59) = 0.001% QD1 LEU 26 - HG2 ARG+ 53 3.571% * 0.0011% (0.01 1.0 1.00 0.02 0.02) = 0.001% QG2 ILE 85 - HG2 ARG+ 53 3.571% * 0.0011% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 2944 (0.25, 1.79, 27.95 ppm): 8 chemical-shift based assignments, quality = 0.838, support = 2.52, residual support = 13.5: QG2 VAL 94 - HG LEU 82 12.500% * 52.9198% (0.97 2.75 10.73) = 52.920% kept QD1 LEU 22 - HG LEU 82 12.500% * 31.9965% (0.97 1.67 16.86) = 31.996% kept QG2 VAL 94 - HG LEU 42 12.500% * 8.3786% (0.09 4.71 26.40) = 8.379% kept QD1 LEU 22 - HG LEU 42 12.500% * 4.8144% (0.09 2.70 4.50) = 4.814% kept QD1 LEU 22 - HG2 ARG+ 53 12.500% * 1.1875% (0.08 0.74 2.84) = 1.187% kept QG2 VAL 94 - HG2 ARG+ 53 12.500% * 0.5161% (0.08 0.32 0.02) = 0.516% QD1 LEU 22 - HG3 ARG+ 53 12.500% * 0.0936% (0.24 0.02 2.84) = 0.094% QG2 VAL 94 - HG3 ARG+ 53 12.500% * 0.0936% (0.24 0.02 0.02) = 0.094% Peak 2945 (0.25, 1.25, 45.70 ppm): 2 chemical-shift based assignments, quality = 0.972, support = 2.98, residual support = 11.8: T QG2 VAL 94 - HB3 LEU 82 50.000% * 81.7709% (0.97 10.00 2.65 10.73) = 81.771% kept QD1 LEU 22 - HB3 LEU 82 50.000% * 18.2291% (0.97 1.00 4.46 16.86) = 18.229% kept Peak 2946 (5.14, 1.79, 27.95 ppm): 16 chemical-shift based assignments, quality = 0.581, support = 3.6, residual support = 63.0: O T HA LEU 82 - HG LEU 82 6.250% * 71.8143% (0.56 10.0 10.00 3.84 82.56) = 71.814% kept T HA LYS+ 11 - HG LEU 82 6.250% * 13.8263% (0.91 1.0 10.00 0.24 11.78) = 13.826% kept HA GLN 83 - HG LEU 82 6.250% * 13.8215% (0.37 1.0 1.00 5.81 15.04) = 13.821% kept T HA LYS+ 11 - HG3 ARG+ 53 6.250% * 0.2852% (0.22 1.0 10.00 0.02 0.02) = 0.285% T HA LEU 82 - HG3 ARG+ 53 6.250% * 0.1749% (0.14 1.0 10.00 0.02 0.02) = 0.175% HA VAL 40 - HG LEU 82 6.250% * 0.0172% (0.13 1.0 1.00 0.02 0.02) = 0.017% HA GLN 83 - HG3 ARG+ 53 6.250% * 0.0116% (0.09 1.0 1.00 0.02 0.17) = 0.012% HA LYS+ 11 - HG LEU 42 6.250% * 0.0108% (0.08 1.0 1.00 0.02 0.02) = 0.011% HA LYS+ 11 - HG2 ARG+ 53 6.250% * 0.0098% (0.08 1.0 1.00 0.02 0.02) = 0.010% HA LEU 82 - HG LEU 42 6.250% * 0.0067% (0.05 1.0 1.00 0.02 0.21) = 0.007% HA LEU 82 - HG2 ARG+ 53 6.250% * 0.0060% (0.05 1.0 1.00 0.02 0.02) = 0.006% HA GLN 83 - HG LEU 42 6.250% * 0.0044% (0.03 1.0 1.00 0.02 0.02) = 0.004% HA VAL 40 - HG3 ARG+ 53 6.250% * 0.0042% (0.03 1.0 1.00 0.02 2.79) = 0.004% HA GLN 83 - HG2 ARG+ 53 6.250% * 0.0040% (0.03 1.0 1.00 0.02 0.17) = 0.004% HA VAL 40 - HG LEU 42 6.250% * 0.0016% (0.01 1.0 1.00 0.02 1.52) = 0.002% HA VAL 40 - HG2 ARG+ 53 6.250% * 0.0014% (0.01 1.0 1.00 0.02 2.79) = 0.001% Peak 2947 (0.26, 1.28, 26.65 ppm): 2 chemical-shift based assignments, quality = 0.965, support = 4.57, residual support = 16.1: T QD1 LEU 22 - QD1 LEU 82 50.000% * 87.5073% (0.97 10.00 4.82 16.86) = 87.507% kept QG2 VAL 94 - QD1 LEU 82 50.000% * 12.4927% (0.97 1.00 2.86 10.73) = 12.493% kept Peak 2948 (0.36, 1.28, 26.65 ppm): 3 chemical-shift based assignments, quality = 0.23, support = 1.38, residual support = 1.29: QD1 LEU 63 - QD1 LEU 82 33.333% * 67.5519% (0.22 1.69 1.67) = 67.552% kept QG1 VAL 71 - QD1 LEU 82 33.333% * 30.4185% (0.22 0.76 0.52) = 30.419% kept QD1 ILE 24 - QD1 LEU 82 33.333% * 2.0296% (0.57 0.02 0.02) = 2.030% kept Peak 2949 (0.94, 1.28, 26.65 ppm): 6 chemical-shift based assignments, quality = 0.733, support = 3.2, residual support = 35.6: T QG2 VAL 52 - QD1 LEU 82 16.667% * 52.7582% (0.84 1.0 10.00 2.34 3.48) = 52.758% kept O T QD2 LEU 82 - QD1 LEU 82 16.667% * 40.8605% (0.65 10.0 10.00 4.69 82.56) = 40.861% kept T HG3 LYS+ 56 - QD1 LEU 82 16.667% * 3.0353% (0.49 1.0 10.00 0.20 0.72) = 3.035% kept QG2 ILE 14 - QD1 LEU 82 16.667% * 1.7546% (0.45 1.0 1.00 1.24 0.54) = 1.755% kept QD1 LEU 26 - QD1 LEU 82 16.667% * 1.5347% (0.34 1.0 1.00 1.42 0.97) = 1.535% kept HB3 ARG+ 48 - QD1 LEU 82 16.667% * 0.0566% (0.90 1.0 1.00 0.02 0.02) = 0.057% Peak 2950 (0.59, 1.28, 26.65 ppm): 2 chemical-shift based assignments, quality = 0.714, support = 2.03, residual support = 13.0: T QD2 LEU 22 - QD1 LEU 82 50.000% * 74.5300% (0.76 10.00 2.40 16.86) = 74.530% kept T QD2 LEU 63 - QD1 LEU 82 50.000% * 25.4700% (0.57 10.00 0.92 1.67) = 25.470% kept Peak 2951 (1.77, 1.28, 26.65 ppm): 9 chemical-shift based assignments, quality = 0.514, support = 3.65, residual support = 60.9: O HG LEU 82 - QD1 LEU 82 11.111% * 73.3858% (0.41 10.0 4.52 82.56) = 73.386% kept HB ILE 95 - QD1 LEU 82 11.111% * 13.3348% (0.99 1.0 1.51 0.38) = 13.335% kept HB ILE 14 - QD1 LEU 82 11.111% * 6.1239% (0.41 1.0 1.67 0.54) = 6.124% kept HB2 LYS+ 55 - QD1 LEU 82 11.111% * 4.6231% (0.95 1.0 0.55 4.95) = 4.623% kept HG3 ARG+ 53 - QD1 LEU 82 11.111% * 1.7899% (0.61 1.0 0.33 0.02) = 1.790% kept HD2 LYS+ 55 - QD1 LEU 82 11.111% * 0.3852% (0.45 1.0 0.10 4.95) = 0.385% HB VAL 61 - QD1 LEU 82 11.111% * 0.1750% (0.98 1.0 0.02 0.02) = 0.175% HB3 LYS+ 20 - QD1 LEU 82 11.111% * 0.1155% (0.65 1.0 0.02 0.02) = 0.115% HB3 PRO 25 - QD1 LEU 82 11.111% * 0.0670% (0.38 1.0 0.02 0.02) = 0.067% Peak 2952 (2.17, 1.28, 26.65 ppm): 7 chemical-shift based assignments, quality = 0.955, support = 4.62, residual support = 80.4: O HB2 LEU 82 - QD1 LEU 82 14.286% * 97.4170% (0.97 10.0 4.72 82.56) = 97.417% kept QG GLN 8 - QD1 LEU 82 14.286% * 2.3539% (0.65 1.0 0.72 0.65) = 2.354% kept HB2 GLU- 59 - QD1 LEU 82 14.286% * 0.1000% (0.99 1.0 0.02 0.02) = 0.100% HB2 PHE 84 - QD1 LEU 82 14.286% * 0.0733% (0.73 1.0 0.02 0.16) = 0.073% HB2 ASN 74 - QD1 LEU 82 14.286% * 0.0225% (0.22 1.0 0.02 0.02) = 0.022% HB ILE 85 - QD1 LEU 82 14.286% * 0.0177% (0.18 1.0 0.02 0.02) = 0.018% HB3 MET 101 - QD1 LEU 82 14.286% * 0.0156% (0.15 1.0 0.02 0.02) = 0.016% Peak 2953 (2.56, 1.28, 26.65 ppm): 6 chemical-shift based assignments, quality = 0.755, support = 3.41, residual support = 18.3: T HB3 PHE 13 - QD1 LEU 82 16.667% * 80.7917% (0.73 10.00 3.70 21.41) = 80.792% kept HB3 TYR 81 - QD1 LEU 82 16.667% * 14.6542% (1.00 1.00 2.64 6.52) = 14.654% kept HB3 ASP- 41 - QD1 LEU 82 16.667% * 1.9197% (0.41 1.00 0.84 0.02) = 1.920% kept HB3 ASN 75 - QD1 LEU 82 16.667% * 1.4945% (0.31 1.00 0.87 0.88) = 1.494% kept HE2 LYS+ 56 - QD1 LEU 82 16.667% * 1.0286% (0.92 1.00 0.20 0.72) = 1.029% kept HG3 MET 1 - QD1 LEU 82 16.667% * 0.1113% (1.00 1.00 0.02 0.02) = 0.111% Peak 2954 (3.12, 1.28, 26.65 ppm): 5 chemical-shift based assignments, quality = 0.332, support = 1.89, residual support = 17.3: HB2 PHE 13 - QD1 LEU 82 20.000% * 80.8378% (0.34 2.21 21.41) = 80.838% kept HB2 PHE 9 - QD1 LEU 82 20.000% * 16.2845% (0.25 0.61 0.02) = 16.284% kept HB3 TRP 67 - QD1 LEU 82 20.000% * 1.8582% (0.87 0.02 0.85) = 1.858% kept HD2 ARG+ 48 - QD1 LEU 82 20.000% * 0.5956% (0.28 0.02 0.02) = 0.596% HB3 TYR 86 - QD1 LEU 82 20.000% * 0.4239% (0.20 0.02 0.02) = 0.424% Peak 2955 (4.26, 1.28, 26.65 ppm): 4 chemical-shift based assignments, quality = 0.694, support = 2.87, residual support = 20.4: T HA PHE 13 - QD1 LEU 82 25.000% * 94.9677% (0.69 10.00 2.99 21.41) = 94.968% kept HA ASN 75 - QD1 LEU 82 25.000% * 4.1909% (1.00 1.00 0.61 0.88) = 4.191% kept HA GLU- 59 - QD1 LEU 82 25.000% * 0.5170% (0.80 1.00 0.09 0.02) = 0.517% HD2 PRO 33 - QD1 LEU 82 25.000% * 0.3245% (0.20 1.00 0.24 0.02) = 0.324% Peak 2956 (4.80, 1.28, 26.65 ppm): 3 chemical-shift based assignments, quality = 0.681, support = 2.38, residual support = 7.62: HA TYR 81 - QD1 LEU 82 33.333% * 58.1333% (0.73 2.71 6.52) = 58.133% kept HA THR 64 - QD1 LEU 82 33.333% * 39.0556% (0.65 2.04 9.79) = 39.056% kept HA TRP 50 - QD1 LEU 82 33.333% * 2.8111% (0.22 0.43 0.02) = 2.811% kept Peak 2957 (5.12, 1.28, 26.65 ppm): 3 chemical-shift based assignments, quality = 0.956, support = 3.23, residual support = 14.3: HA GLN 83 - QD1 LEU 82 33.333% * 91.2078% (1.00 3.49 15.04) = 91.208% kept HA LYS+ 11 - QD1 LEU 82 33.333% * 4.6871% (0.20 0.91 11.78) = 4.687% kept HA VAL 40 - QD1 LEU 82 33.333% * 4.1051% (0.84 0.19 0.02) = 4.105% kept Peak 2958 (0.26, 0.96, 25.68 ppm): 4 chemical-shift based assignments, quality = 0.714, support = 2.74, residual support = 13.0: QG2 VAL 94 - QD2 LEU 82 25.000% * 46.2604% (0.76 2.84 10.73) = 46.260% kept QD1 LEU 22 - QD2 LEU 82 25.000% * 45.1563% (0.76 2.78 16.86) = 45.156% kept QD1 LEU 22 - HG3 LYS+ 56 25.000% * 8.4972% (0.20 1.98 5.47) = 8.497% kept QG2 VAL 94 - HG3 LYS+ 56 25.000% * 0.0860% (0.20 0.02 0.02) = 0.086% Peak 2959 (0.40, 0.96, 25.68 ppm): 4 chemical-shift based assignments, quality = 0.427, support = 2.95, residual support = 9.3: T QD1 LEU 76 - QD2 LEU 82 25.000% * 59.6282% (0.61 10.00 2.97 9.80) = 59.628% kept T QD2 LEU 76 - QD2 LEU 82 25.000% * 19.4555% (0.20 10.00 3.52 9.80) = 19.455% kept T QD1 LEU 76 - HG3 LYS+ 56 25.000% * 15.7707% (0.16 10.00 2.35 7.42) = 15.771% kept T QD2 LEU 76 - HG3 LYS+ 56 25.000% * 5.1456% (0.05 10.00 2.48 7.42) = 5.146% kept Peak 2960 (1.27, 0.96, 25.68 ppm): 10 chemical-shift based assignments, quality = 0.634, support = 4.09, residual support = 75.6: O T QD1 LEU 82 - QD2 LEU 82 10.000% * 57.6918% (0.83 10.0 10.00 4.69 82.56) = 57.692% kept T HD2 LYS+ 56 - QD2 LEU 82 10.000% * 18.8880% (0.61 1.0 10.00 0.90 0.72) = 18.888% kept O T HB3 LEU 82 - QD2 LEU 82 10.000% * 12.0962% (0.17 10.0 10.00 4.66 82.56) = 12.096% kept O T HD2 LYS+ 56 - HG3 LYS+ 56 10.000% * 11.0799% (0.16 10.0 10.00 5.91 160.79) = 11.080% kept T QD1 LEU 82 - HG3 LYS+ 56 10.000% * 0.1526% (0.22 1.0 10.00 0.02 0.72) = 0.153% HB3 LEU 63 - QD2 LEU 82 10.000% * 0.0363% (0.52 1.0 1.00 0.02 1.67) = 0.036% T HB3 LEU 82 - HG3 LYS+ 56 10.000% * 0.0320% (0.05 1.0 10.00 0.02 0.72) = 0.032% QG2 THR 51 - QD2 LEU 82 10.000% * 0.0107% (0.15 1.0 1.00 0.02 0.55) = 0.011% HB3 LEU 63 - HG3 LYS+ 56 10.000% * 0.0096% (0.14 1.0 1.00 0.02 0.50) = 0.010% QG2 THR 51 - HG3 LYS+ 56 10.000% * 0.0028% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 2961 (1.64, 0.96, 25.68 ppm): 16 chemical-shift based assignments, quality = 0.318, support = 5.06, residual support = 106.2: O HB2 LYS+ 56 - HG3 LYS+ 56 6.250% * 65.1901% (0.23 10.0 7.29 160.79) = 65.190% kept HB2 LYS+ 56 - QD2 LEU 82 6.250% * 10.2405% (0.87 1.0 0.83 0.72) = 10.241% kept QB PRO 12 - QD2 LEU 82 6.250% * 6.6944% (0.56 1.0 0.83 1.33) = 6.694% kept HG LEU 43 - QD2 LEU 82 6.250% * 3.5307% (0.28 1.0 0.89 8.35) = 3.531% kept HB2 LEU 43 - QD2 LEU 82 6.250% * 3.3873% (0.25 1.0 0.96 8.35) = 3.387% kept QD LYS+ 11 - QD2 LEU 82 6.250% * 3.0884% (0.41 1.0 0.53 11.78) = 3.088% kept HB ILE 96 - QD2 LEU 82 6.250% * 2.2459% (0.17 1.0 0.90 0.33) = 2.246% kept HG LEU 43 - HG3 LYS+ 56 6.250% * 2.1327% (0.07 1.0 2.04 3.51) = 2.133% kept HB VAL 94 - QD2 LEU 82 6.250% * 2.0625% (0.20 1.0 0.73 10.73) = 2.063% kept QB PRO 12 - HG3 LYS+ 56 6.250% * 1.2699% (0.15 1.0 0.60 0.02) = 1.270% kept QD LYS+ 17 - QD2 LEU 82 6.250% * 0.0633% (0.22 1.0 0.02 0.41) = 0.063% QD LYS+ 11 - HG3 LYS+ 56 6.250% * 0.0309% (0.11 1.0 0.02 0.76) = 0.031% HB2 LEU 43 - HG3 LYS+ 56 6.250% * 0.0187% (0.07 1.0 0.02 3.51) = 0.019% QD LYS+ 17 - HG3 LYS+ 56 6.250% * 0.0167% (0.06 1.0 0.02 0.02) = 0.017% HB VAL 94 - HG3 LYS+ 56 6.250% * 0.0149% (0.05 1.0 0.02 0.02) = 0.015% HB ILE 96 - HG3 LYS+ 56 6.250% * 0.0132% (0.05 1.0 0.02 1.39) = 0.013% Peak 2962 (1.77, 0.96, 25.68 ppm): 20 chemical-shift based assignments, quality = 0.651, support = 3.16, residual support = 35.8: T HB2 LYS+ 55 - QD2 LEU 82 5.000% * 36.9292% (0.72 1.0 10.00 2.11 4.95) = 36.929% kept O T HG LEU 82 - QD2 LEU 82 5.000% * 34.9335% (0.69 10.0 10.00 4.50 82.56) = 34.933% kept T HB2 LYS+ 55 - HG3 LYS+ 56 5.000% * 9.7671% (0.19 1.0 10.00 5.07 40.06) = 9.767% kept T HG3 ARG+ 53 - QD2 LEU 82 5.000% * 5.8444% (0.87 1.0 10.00 0.26 0.02) = 5.844% kept HD2 LYS+ 55 - QD2 LEU 82 5.000% * 4.1725% (0.72 1.0 1.00 2.26 4.95) = 4.172% kept HB ILE 95 - QD2 LEU 82 5.000% * 4.1496% (0.94 1.0 1.00 1.73 0.38) = 4.150% kept HD2 LYS+ 55 - HG3 LYS+ 56 5.000% * 2.5290% (0.19 1.0 1.00 5.18 40.06) = 2.529% kept HB3 LYS+ 20 - QD2 LEU 82 5.000% * 0.7075% (0.89 1.0 1.00 0.31 0.02) = 0.708% HB ILE 95 - HG3 LYS+ 56 5.000% * 0.4420% (0.25 1.0 1.00 0.69 0.02) = 0.442% T HG3 ARG+ 53 - HG3 LYS+ 56 5.000% * 0.1167% (0.23 1.0 10.00 0.02 0.02) = 0.117% T HB ILE 14 - QD2 LEU 82 5.000% * 0.1006% (0.20 1.0 10.00 0.02 0.54) = 0.101% T HG LEU 82 - HG3 LYS+ 56 5.000% * 0.0924% (0.18 1.0 10.00 0.02 0.72) = 0.092% T HB3 PRO 25 - QD2 LEU 82 5.000% * 0.0891% (0.17 1.0 10.00 0.02 0.02) = 0.089% HB VAL 61 - QD2 LEU 82 5.000% * 0.0407% (0.80 1.0 1.00 0.02 0.02) = 0.041% T HB ILE 14 - HG3 LYS+ 56 5.000% * 0.0266% (0.05 1.0 10.00 0.02 2.54) = 0.027% T HB3 PRO 25 - HG3 LYS+ 56 5.000% * 0.0236% (0.05 1.0 10.00 0.02 0.02) = 0.024% HB3 LYS+ 20 - HG3 LYS+ 56 5.000% * 0.0121% (0.24 1.0 1.00 0.02 0.02) = 0.012% HB VAL 61 - HG3 LYS+ 56 5.000% * 0.0108% (0.21 1.0 1.00 0.02 14.84) = 0.011% HB3 LYS+ 17 - QD2 LEU 82 5.000% * 0.0101% (0.20 1.0 1.00 0.02 0.41) = 0.010% HB3 LYS+ 17 - HG3 LYS+ 56 5.000% * 0.0027% (0.05 1.0 1.00 0.02 0.02) = 0.003% Peak 2963 (2.16, 0.96, 25.68 ppm): 16 chemical-shift based assignments, quality = 0.714, support = 2.86, residual support = 38.2: O T HB2 LEU 82 - QD2 LEU 82 6.250% * 45.2133% (0.76 10.0 10.00 4.82 82.56) = 45.213% kept T QG GLN 8 - QD2 LEU 82 6.250% * 34.6823% (0.89 1.0 10.00 1.31 0.65) = 34.682% kept T QG GLN 8 - HG3 LYS+ 56 6.250% * 11.6399% (0.24 1.0 10.00 1.66 5.25) = 11.640% kept T HB2 ASN 74 - QD2 LEU 82 6.250% * 6.9034% (0.45 1.0 10.00 0.52 0.02) = 6.903% kept QB MET 10 - QD2 LEU 82 6.250% * 0.9580% (0.17 1.0 1.00 1.85 2.73) = 0.958% T HB ILE 85 - QD2 LEU 82 6.250% * 0.2220% (0.37 1.0 10.00 0.02 0.02) = 0.222% T HB2 LEU 82 - HG3 LYS+ 56 6.250% * 0.1196% (0.20 1.0 10.00 0.02 0.72) = 0.120% T HB2 ASN 74 - HG3 LYS+ 56 6.250% * 0.0702% (0.12 1.0 10.00 0.02 0.02) = 0.070% T HB ILE 85 - HG3 LYS+ 56 6.250% * 0.0587% (0.10 1.0 10.00 0.02 0.02) = 0.059% HB2 GLU- 59 - QD2 LEU 82 6.250% * 0.0560% (0.94 1.0 1.00 0.02 0.02) = 0.056% HB2 PHE 84 - QD2 LEU 82 6.250% * 0.0265% (0.45 1.0 1.00 0.02 0.16) = 0.027% HB3 MET 101 - QD2 LEU 82 6.250% * 0.0202% (0.34 1.0 1.00 0.02 0.02) = 0.020% HB2 GLU- 59 - HG3 LYS+ 56 6.250% * 0.0148% (0.25 1.0 1.00 0.02 0.02) = 0.015% HB2 PHE 84 - HG3 LYS+ 56 6.250% * 0.0070% (0.12 1.0 1.00 0.02 0.02) = 0.007% HB3 MET 101 - HG3 LYS+ 56 6.250% * 0.0053% (0.09 1.0 1.00 0.02 0.02) = 0.005% QB MET 10 - HG3 LYS+ 56 6.250% * 0.0027% (0.05 1.0 1.00 0.02 3.71) = 0.003% Peak 2964 (2.56, 0.96, 25.68 ppm): 12 chemical-shift based assignments, quality = 0.539, support = 3.88, residual support = 61.6: O T HE2 LYS+ 56 - HG3 LYS+ 56 8.333% * 35.0940% (0.24 10.0 10.00 6.88 160.79) = 35.094% kept HB3 TYR 81 - QD2 LEU 82 8.333% * 22.6108% (1.00 1.0 1.00 3.15 6.52) = 22.611% kept HB3 PHE 13 - QD2 LEU 82 8.333% * 16.7407% (0.72 1.0 1.00 3.21 21.41) = 16.741% kept T HB3 ASP- 41 - HG3 LYS+ 56 8.333% * 8.2135% (0.11 1.0 10.00 1.05 0.46) = 8.213% kept HE2 LYS+ 56 - QD2 LEU 82 8.333% * 7.8260% (0.92 1.0 1.00 1.18 0.72) = 7.826% kept T HB3 ASP- 41 - QD2 LEU 82 8.333% * 2.9984% (0.41 1.0 10.00 0.10 0.02) = 2.998% kept HB3 ASN 75 - QD2 LEU 82 8.333% * 2.8461% (0.31 1.0 1.00 1.28 0.88) = 2.846% kept T HB3 TYR 81 - HG3 LYS+ 56 8.333% * 1.7857% (0.26 1.0 10.00 0.09 1.05) = 1.786% kept HB3 ASN 75 - HG3 LYS+ 56 8.333% * 0.8536% (0.08 1.0 1.00 1.45 0.52) = 0.854% HB3 PHE 13 - HG3 LYS+ 56 8.333% * 0.8496% (0.19 1.0 1.00 0.62 6.30) = 0.850% HG3 MET 1 - QD2 LEU 82 8.333% * 0.1437% (1.00 1.0 1.00 0.02 0.02) = 0.144% HG3 MET 1 - HG3 LYS+ 56 8.333% * 0.0380% (0.26 1.0 1.00 0.02 0.02) = 0.038% Peak 2965 (4.64, 0.96, 25.68 ppm): 4 chemical-shift based assignments, quality = 0.569, support = 1.22, residual support = 0.969: HA GLU- 77 - QD2 LEU 82 25.000% * 85.5758% (0.61 1.37 1.07) = 85.576% kept HA GLU- 77 - HG3 LYS+ 56 25.000% * 7.7656% (0.16 0.47 0.70) = 7.766% kept HA ASP- 3 - QD2 LEU 82 25.000% * 6.3289% (0.61 0.10 0.02) = 6.329% kept HA ASP- 3 - HG3 LYS+ 56 25.000% * 0.3296% (0.16 0.02 0.02) = 0.330% Peak 2966 (4.77, 0.96, 25.68 ppm): 6 chemical-shift based assignments, quality = 0.464, support = 3.3, residual support = 16.3: HA LYS+ 55 - QD2 LEU 82 16.667% * 33.8240% (0.69 2.03 4.95) = 33.824% kept HA LYS+ 55 - HG3 LYS+ 56 16.667% * 29.1108% (0.18 6.62 40.06) = 29.111% kept HA THR 64 - QD2 LEU 82 16.667% * 27.1616% (0.61 1.85 9.79) = 27.162% kept HA THR 64 - HG3 LYS+ 56 16.667% * 8.3930% (0.16 2.16 3.30) = 8.393% kept HA ILE 85 - HG3 LYS+ 56 16.667% * 1.2171% (0.16 0.31 0.02) = 1.217% kept HA ILE 85 - QD2 LEU 82 16.667% * 0.2935% (0.61 0.02 0.02) = 0.294% Peak 2967 (5.13, 0.96, 25.68 ppm): 8 chemical-shift based assignments, quality = 0.691, support = 3.12, residual support = 16.7: HA GLN 83 - QD2 LEU 82 12.500% * 56.6392% (0.89 1.00 4.50 15.04) = 56.639% kept T HA VAL 40 - QD2 LEU 82 12.500% * 25.7383% (0.56 10.00 0.32 0.02) = 25.738% kept HA LEU 82 - QD2 LEU 82 12.500% * 9.1795% (0.14 1.00 4.83 82.56) = 9.179% kept HA LYS+ 11 - QD2 LEU 82 12.500% * 4.7928% (0.41 1.00 0.83 11.78) = 4.793% kept T HA VAL 40 - HG3 LYS+ 56 12.500% * 2.2781% (0.15 10.00 0.11 0.02) = 2.278% kept HA GLN 83 - HG3 LYS+ 56 12.500% * 1.3316% (0.24 1.00 0.40 0.11) = 1.332% kept HA LYS+ 11 - HG3 LYS+ 56 12.500% * 0.0305% (0.11 1.00 0.02 0.76) = 0.031% HA LEU 82 - HG3 LYS+ 56 12.500% * 0.0100% (0.04 1.00 0.02 0.72) = 0.010% Peak 2968 (6.15, 2.17, 45.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2969 (6.57, 2.17, 45.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2970 (8.75, 2.17, 45.70 ppm): 4 chemical-shift based assignments, quality = 0.721, support = 2.4, residual support = 8.98: HN THR 64 - HB2 LEU 82 25.000% * 44.1355% (0.89 2.98 9.79) = 44.135% kept HN MET 10 - HB2 LEU 82 25.000% * 21.0301% (0.64 1.97 2.73) = 21.030% kept HN PHE 13 - HB2 LEU 82 25.000% * 18.6799% (0.48 2.32 21.41) = 18.680% kept HN GLY 27 - HB2 LEU 82 25.000% * 16.1545% (0.64 1.51 0.53) = 16.155% kept Peak 2971 (6.58, 1.25, 45.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2972 (8.72, 1.25, 45.70 ppm): 6 chemical-shift based assignments, quality = 0.912, support = 3.76, residual support = 67.4: O HN LEU 82 - HB3 LEU 82 16.667% * 78.5695% (0.99 10.0 3.93 82.56) = 78.569% kept HN PHE 13 - HB3 LEU 82 16.667% * 10.8973% (0.72 1.0 3.82 21.41) = 10.897% kept HN MET 10 - HB3 LEU 82 16.667% * 6.9811% (0.56 1.0 3.14 2.73) = 6.981% kept HN GLY 27 - HB3 LEU 82 16.667% * 2.7356% (0.56 1.0 1.23 0.53) = 2.736% kept HN LYS+ 56 - HB3 LEU 82 16.667% * 0.7923% (0.86 1.0 0.23 0.72) = 0.792% HN ASP- 78 - HB3 LEU 82 16.667% * 0.0243% (0.31 1.0 0.02 0.89) = 0.024% Peak 2973 (9.30, 1.25, 45.70 ppm): 1 chemical-shift based assignment, quality = 0.561, support = 2.73, residual support = 8.35: HN LEU 43 - HB3 LEU 82 100.000% *100.0000% (0.56 2.73 8.35) = 100.000% kept Peak 2974 (8.73, 1.79, 27.95 ppm): 24 chemical-shift based assignments, quality = 0.873, support = 3.41, residual support = 41.4: HN LEU 82 - HG LEU 82 4.167% * 40.6358% (0.91 4.39 82.56) = 40.636% kept HN PHE 13 - HG LEU 82 4.167% * 34.9407% (0.91 3.78 21.41) = 34.941% kept HN MET 10 - HG LEU 82 4.167% * 12.3714% (0.79 1.54 2.73) = 12.371% kept HN GLY 27 - HG LEU 82 4.167% * 9.3215% (0.79 1.16 0.53) = 9.322% kept HN LYS+ 56 - HG LEU 82 4.167% * 1.5079% (0.64 0.23 0.72) = 1.508% kept HN PHE 13 - HG3 ARG+ 53 4.167% * 0.8791% (0.22 0.39 0.02) = 0.879% HN LEU 82 - HG3 ARG+ 53 4.167% * 0.0451% (0.22 0.02 0.02) = 0.045% HN GLY 27 - HG3 ARG+ 53 4.167% * 0.0391% (0.19 0.02 0.02) = 0.039% HN MET 10 - HG3 ARG+ 53 4.167% * 0.0391% (0.19 0.02 0.02) = 0.039% HN LYS+ 56 - HG3 ARG+ 53 4.167% * 0.0316% (0.16 0.02 0.02) = 0.032% HN ASP- 78 - HG LEU 82 4.167% * 0.0309% (0.15 0.02 0.89) = 0.031% HN LEU 82 - HG LEU 42 4.167% * 0.0171% (0.08 0.02 0.21) = 0.017% HN PHE 13 - HG LEU 42 4.167% * 0.0171% (0.08 0.02 0.11) = 0.017% HN PHE 13 - HG2 ARG+ 53 4.167% * 0.0155% (0.08 0.02 0.02) = 0.016% HN LEU 82 - HG2 ARG+ 53 4.167% * 0.0155% (0.08 0.02 0.02) = 0.016% HN GLY 27 - HG LEU 42 4.167% * 0.0149% (0.07 0.02 0.02) = 0.015% HN MET 10 - HG LEU 42 4.167% * 0.0149% (0.07 0.02 0.02) = 0.015% HN GLY 27 - HG2 ARG+ 53 4.167% * 0.0135% (0.07 0.02 0.02) = 0.013% HN MET 10 - HG2 ARG+ 53 4.167% * 0.0135% (0.07 0.02 0.02) = 0.013% HN LYS+ 56 - HG LEU 42 4.167% * 0.0120% (0.06 0.02 0.55) = 0.012% HN LYS+ 56 - HG2 ARG+ 53 4.167% * 0.0109% (0.05 0.02 0.02) = 0.011% HN ASP- 78 - HG3 ARG+ 53 4.167% * 0.0075% (0.04 0.02 0.22) = 0.008% HN ASP- 78 - HG LEU 42 4.167% * 0.0029% (0.01 0.02 0.02) = 0.003% HN ASP- 78 - HG2 ARG+ 53 4.167% * 0.0026% (0.01 0.02 0.22) = 0.003% Peak 2975 (8.83, 1.79, 27.95 ppm): 4 chemical-shift based assignments, quality = 0.538, support = 0.295, residual support = 0.108: HN PHE 84 - HG LEU 82 25.000% * 64.1229% (0.76 0.24 0.16) = 64.123% kept HN PHE 84 - HG3 ARG+ 53 25.000% * 24.7384% (0.18 0.38 0.02) = 24.738% kept HN PHE 84 - HG2 ARG+ 53 25.000% * 10.6376% (0.06 0.47 0.02) = 10.638% kept HN PHE 84 - HG LEU 42 25.000% * 0.5010% (0.07 0.02 0.02) = 0.501% Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2976 (6.13, 1.28, 26.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2977 (6.59, 1.28, 26.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2978 (6.80, 1.28, 26.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2979 (7.04, 1.28, 26.65 ppm): 1 chemical-shift based assignment, quality = 0.687, support = 0.235, residual support = 0.407: HN LYS+ 17 - QD1 LEU 82 100.000% *100.0000% (0.69 0.24 0.41) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2980 (7.14, 1.28, 26.65 ppm): 1 chemical-shift based assignment, quality = 0.801, support = 0.845, residual support = 1.58: HN PHE 32 - QD1 LEU 82 100.000% *100.0000% (0.80 0.84 1.58) = 100.000% kept Peak 2981 (8.75, 1.28, 26.65 ppm): 5 chemical-shift based assignments, quality = 0.698, support = 3.87, residual support = 21.1: HN PHE 13 - QD1 LEU 82 20.000% * 34.7683% (0.73 4.97 21.41) = 34.768% kept HN THR 64 - QD1 LEU 82 20.000% * 24.9235% (0.69 3.77 9.79) = 24.923% kept HN MET 10 - QD1 LEU 82 20.000% * 21.1502% (0.87 2.53 2.73) = 21.150% kept HN LEU 82 - QD1 LEU 82 20.000% * 12.8055% (0.28 4.79 82.56) = 12.806% kept HN GLY 27 - QD1 LEU 82 20.000% * 6.3525% (0.87 0.76 0.53) = 6.352% kept Peak 2982 (9.46, 1.28, 26.65 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 2.05, residual support = 11.8: HN LYS+ 11 - QD1 LEU 82 100.000% *100.0000% (0.73 2.05 11.78) = 100.000% kept Peak 2983 (6.50, 0.96, 25.68 ppm): 2 chemical-shift based assignments, quality = 0.411, support = 0.02, residual support = 0.0486: HD22 ASN 29 - QD2 LEU 82 50.000% * 79.0837% (0.49 0.02 0.02) = 79.084% kept HD22 ASN 29 - HG3 LYS+ 56 50.000% * 20.9163% (0.13 0.02 0.16) = 20.916% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2984 (6.80, 0.96, 25.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2985 (7.01, 0.96, 25.68 ppm): 2 chemical-shift based assignments, quality = 0.209, support = 0.834, residual support = 4.26: HE ARG+ 90 - HG3 LYS+ 56 50.000% * 59.9429% (0.10 1.24 7.09) = 59.943% kept HE ARG+ 90 - QD2 LEU 82 50.000% * 40.0571% (0.37 0.22 0.02) = 40.057% kept Peak 2986 (7.14, 0.96, 25.68 ppm): 2 chemical-shift based assignments, quality = 0.687, support = 0.827, residual support = 1.29: HN PHE 32 - QD2 LEU 82 50.000% * 81.0100% (0.80 0.84 1.58) = 81.010% kept HN PHE 32 - HG3 LYS+ 56 50.000% * 18.9900% (0.21 0.75 0.02) = 18.990% kept Peak 2987 (8.77, 0.96, 25.68 ppm): 8 chemical-shift based assignments, quality = 0.686, support = 2.98, residual support = 7.34: HN THR 64 - QD2 LEU 82 12.500% * 67.0103% (0.92 3.50 9.79) = 67.010% kept HN THR 64 - HG3 LYS+ 56 12.500% * 12.4796% (0.24 2.47 3.30) = 12.480% kept HN MET 10 - QD2 LEU 82 12.500% * 9.0094% (0.20 2.20 2.73) = 9.009% kept HN GLY 27 - QD2 LEU 82 12.500% * 4.7866% (0.20 1.17 0.53) = 4.787% kept HN MET 10 - HG3 LYS+ 56 12.500% * 2.1401% (0.05 1.97 3.71) = 2.140% kept HN ARG+ 53 - QD2 LEU 82 12.500% * 1.6319% (0.45 0.18 0.02) = 1.632% kept HN GLY 27 - HG3 LYS+ 56 12.500% * 1.5875% (0.05 1.46 0.89) = 1.588% kept HN ARG+ 53 - HG3 LYS+ 56 12.500% * 1.3545% (0.12 0.55 0.02) = 1.354% kept Peak 2988 (9.26, 0.96, 25.68 ppm): 10 chemical-shift based assignments, quality = 0.71, support = 4.21, residual support = 15.0: HN GLN 83 - QD2 LEU 82 10.000% * 35.6203% (0.99 4.25 15.04) = 35.620% kept HN LYS+ 55 - QD2 LEU 82 10.000% * 22.9255% (1.00 2.71 4.95) = 22.926% kept HN LYS+ 55 - HG3 LYS+ 56 10.000% * 17.6202% (0.26 7.88 40.06) = 17.620% kept HN LEU 43 - QD2 LEU 82 10.000% * 12.1566% (0.37 3.83 8.35) = 12.157% kept HN ARG+ 90 - HG3 LYS+ 56 10.000% * 5.9760% (0.24 2.98 7.09) = 5.976% kept HN GLN 83 - HG3 LYS+ 56 10.000% * 1.9581% (0.26 0.88 0.11) = 1.958% kept HN ARG+ 90 - QD2 LEU 82 10.000% * 1.8712% (0.89 0.25 0.02) = 1.871% kept HN LEU 43 - HG3 LYS+ 56 10.000% * 1.2513% (0.10 1.49 3.51) = 1.251% kept HN GLY 58 - HG3 LYS+ 56 10.000% * 0.5911% (0.05 1.51 2.21) = 0.591% HN GLY 58 - QD2 LEU 82 10.000% * 0.0296% (0.17 0.02 0.02) = 0.030% Peak 2989 (9.47, 0.96, 25.68 ppm): 4 chemical-shift based assignments, quality = 0.811, support = 2.11, residual support = 10.1: HN LYS+ 11 - QD2 LEU 82 25.000% * 84.6265% (0.92 2.30 11.78) = 84.626% kept HN LYS+ 11 - HG3 LYS+ 56 25.000% * 9.7467% (0.24 1.00 0.76) = 9.747% kept HN TRP 67 - QD2 LEU 82 25.000% * 5.5983% (0.14 1.04 0.85) = 5.598% kept HN TRP 67 - HG3 LYS+ 56 25.000% * 0.0285% (0.04 0.02 0.02) = 0.028% Peak 2990 (8.03, 2.07, 33.32 ppm): 4 chemical-shift based assignments, quality = 0.842, support = 0.335, residual support = 0.451: HN PHE 28 - HG3 GLN 83 25.000% * 77.1186% (0.97 0.37 0.30) = 77.119% kept HN LEU 26 - HG3 GLN 83 25.000% * 16.7692% (0.27 0.29 1.31) = 16.769% kept HN ASP- 87 - HG3 GLN 83 25.000% * 3.8772% (0.90 0.02 0.02) = 3.877% kept HN ARG+ 48 - HG3 GLN 83 25.000% * 2.2350% (0.52 0.02 0.02) = 2.235% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 2991 (6.82, 2.27, 33.32 ppm): 2 chemical-shift based assignments, quality = 0.712, support = 2.32, residual support = 59.8: O HE22 GLN 83 - HG2 GLN 83 50.000% * 99.9936% (0.71 10.0 2.32 59.82) = 99.994% kept HE22 GLN 83 - HB3 GLN 8 50.000% * 0.0064% (0.05 1.0 0.02 0.02) = 0.006% Peak 2992 (7.33, 2.27, 33.32 ppm): 4 chemical-shift based assignments, quality = 0.96, support = 3.15, residual support = 59.8: O HE21 GLN 83 - HG2 GLN 83 25.000% * 99.9191% (0.96 10.0 3.16 59.82) = 99.919% kept HD21 ASN 29 - HG2 GLN 83 25.000% * 0.0700% (0.67 1.0 0.02 0.02) = 0.070% HE21 GLN 83 - HB3 GLN 8 25.000% * 0.0064% (0.06 1.0 0.02 0.02) = 0.006% HD21 ASN 29 - HB3 GLN 8 25.000% * 0.0045% (0.04 1.0 0.02 0.02) = 0.004% Peak 2994 (8.83, 5.12, 54.62 ppm): 1 chemical-shift based assignment, quality = 0.749, support = 2.68, residual support = 5.51: O HN PHE 84 - HA GLN 83 100.000% *100.0000% (0.75 10.0 2.68 5.51) = 100.000% kept Peak 2995 (6.16, 2.18, 41.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2996 (7.15, 2.18, 41.24 ppm): 1 chemical-shift based assignment, quality = 0.972, support = 0.845, residual support = 1.94: HN PHE 32 - HB2 PHE 84 100.000% *100.0000% (0.97 0.84 1.94) = 100.000% kept Peak 2997 (8.56, 2.18, 41.24 ppm): 3 chemical-shift based assignments, quality = 0.869, support = 1.57, residual support = 2.56: HN PHE 9 - HB2 PHE 84 33.333% * 54.6838% (0.85 1.97 3.73) = 54.684% kept HN VAL 94 - HB2 PHE 84 33.333% * 37.6901% (0.93 1.25 1.37) = 37.690% kept HN ASP- 73 - HB2 PHE 84 33.333% * 7.6261% (0.71 0.33 0.02) = 7.626% kept Peak 2998 (8.85, 2.18, 41.24 ppm): 2 chemical-shift based assignments, quality = 0.401, support = 1.55, residual support = 1.36: HN GLY 79 - HB2 PHE 84 50.000% * 71.8845% (0.44 1.77 1.62) = 71.884% kept HN PHE 62 - HB2 PHE 84 50.000% * 28.1155% (0.30 1.00 0.70) = 28.116% kept Peak 2999 (6.16, 1.48, 41.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3000 (7.14, 1.48, 41.24 ppm): 1 chemical-shift based assignment, quality = 0.946, support = 1.09, residual support = 1.94: HN PHE 32 - HB3 PHE 84 100.000% *100.0000% (0.95 1.09 1.94) = 100.000% kept Peak 3001 (8.86, 1.48, 41.24 ppm): 2 chemical-shift based assignments, quality = 0.601, support = 0.785, residual support = 1.2: HN GLY 79 - HB3 PHE 84 50.000% * 54.2315% (0.67 0.75 1.62) = 54.231% kept HN PHE 62 - HB3 PHE 84 50.000% * 45.7685% (0.52 0.83 0.70) = 45.769% kept Peak 3002 (9.64, 2.14, 40.02 ppm): 2 chemical-shift based assignments, quality = 0.554, support = 4.47, residual support = 101.8: O HN ILE 85 - HB ILE 85 50.000% * 79.2857% (0.44 10.0 5.02 127.62) = 79.286% kept HN VAL 52 - HB ILE 85 50.000% * 20.7143% (0.97 1.0 2.39 2.88) = 20.714% kept Peak 3003 (2.38, 2.07, 33.32 ppm): 4 chemical-shift based assignments, quality = 0.552, support = 0.405, residual support = 0.475: HB3 ASP- 89 - HG3 GLN 83 25.000% * 66.2550% (0.44 0.56 0.70) = 66.255% kept HG3 GLU- 68 - HG3 GLN 83 25.000% * 25.2151% (0.85 0.11 0.02) = 25.215% kept HE3 LYS+ 56 - HG3 GLN 83 25.000% * 4.5510% (0.85 0.02 0.11) = 4.551% kept HB2 GLN 8 - HG3 GLN 83 25.000% * 3.9789% (0.19 0.08 0.02) = 3.979% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 3004 (0.85, 2.27, 33.32 ppm): 10 chemical-shift based assignments, quality = 0.405, support = 2.57, residual support = 7.92: QD1 ILE 95 - HG2 GLN 83 10.000% * 61.8513% (0.30 1.00 3.86 11.96) = 61.851% kept QD2 LEU 43 - HG2 GLN 83 10.000% * 17.4987% (0.55 1.00 0.60 1.37) = 17.499% kept T QG2 VAL 40 - HG2 GLN 83 10.000% * 8.9984% (0.85 10.00 0.02 0.20) = 8.998% kept QD1 ILE 14 - HG2 GLN 83 10.000% * 6.4132% (0.67 1.00 0.18 0.02) = 6.413% kept QD1 ILE 14 - HB3 GLN 8 10.000% * 2.6844% (0.04 1.00 1.18 6.50) = 2.684% kept QD1 ILE 95 - HB3 GLN 8 10.000% * 1.7724% (0.02 1.00 1.74 5.29) = 1.772% kept T QG2 VAL 40 - HB3 GLN 8 10.000% * 0.5739% (0.05 10.00 0.02 0.02) = 0.574% HG13 ILE 24 - HG2 GLN 83 10.000% * 0.1601% (0.15 1.00 0.02 0.02) = 0.160% QD2 LEU 43 - HB3 GLN 8 10.000% * 0.0375% (0.04 1.00 0.02 2.91) = 0.037% HG13 ILE 24 - HB3 GLN 8 10.000% * 0.0102% (0.01 1.00 0.02 0.02) = 0.010% Peak 3005 (0.89, 2.07, 33.32 ppm): 4 chemical-shift based assignments, quality = 0.651, support = 1.95, residual support = 6.03: QD1 ILE 95 - HG3 GLN 83 25.000% * 42.1354% (0.48 3.13 11.96) = 42.135% kept QD1 ILE 85 - HG3 GLN 83 25.000% * 31.0707% (0.96 1.15 2.05) = 31.071% kept QD2 LEU 26 - HG3 GLN 83 25.000% * 20.1528% (0.67 1.06 1.31) = 20.153% kept QD2 LEU 43 - HG3 GLN 83 25.000% * 6.6410% (0.24 0.96 1.37) = 6.641% kept Peak 3006 (0.88, 2.14, 40.02 ppm): 4 chemical-shift based assignments, quality = 0.908, support = 5.39, residual support = 126.7: O T QD1 ILE 85 - HB ILE 85 25.000% * 99.2503% (0.91 10.0 10.00 5.44 127.62) = 99.250% kept T QD1 ILE 95 - HB ILE 85 25.000% * 0.6521% (0.60 1.0 10.00 0.02 4.90) = 0.652% QD2 LEU 26 - HB ILE 85 25.000% * 0.0609% (0.56 1.0 1.00 0.02 0.27) = 0.061% QD2 LEU 43 - HB ILE 85 25.000% * 0.0367% (0.34 1.0 1.00 0.02 0.26) = 0.037% Peak 3007 (1.56, 2.14, 40.02 ppm): 4 chemical-shift based assignments, quality = 0.792, support = 5.45, residual support = 127.4: O T HG12 ILE 85 - HB ILE 85 25.000% * 99.8299% (0.79 10.0 10.00 5.46 127.62) = 99.830% kept HG2 LYS+ 72 - HB ILE 85 25.000% * 0.1236% (0.98 1.0 1.00 0.02 0.02) = 0.124% HG2 GLU- 23 - HB ILE 85 25.000% * 0.0247% (0.20 1.0 1.00 0.02 0.02) = 0.025% QG ARG+ 90 - HB ILE 85 25.000% * 0.0218% (0.17 1.0 1.00 0.02 0.02) = 0.022% Peak 3008 (0.98, 2.14, 40.02 ppm): 10 chemical-shift based assignments, quality = 0.932, support = 5.06, residual support = 112.5: O T QG2 ILE 85 - HB ILE 85 10.000% * 88.0940% (0.98 10.0 10.00 5.62 127.62) = 88.094% kept QG2 THR 64 - HB ILE 85 10.000% * 4.1441% (0.83 1.0 1.00 1.12 0.51) = 4.144% kept QG1 VAL 40 - HB ILE 85 10.000% * 2.5803% (0.56 1.0 1.00 1.03 0.15) = 2.580% kept HG LEU 76 - HB ILE 85 10.000% * 2.2140% (0.56 1.0 1.00 0.88 1.06) = 2.214% kept QD1 ILE 38 - HB ILE 85 10.000% * 1.5202% (0.37 1.0 1.00 0.91 0.02) = 1.520% kept T QG2 ILE 14 - HB ILE 85 10.000% * 0.5391% (0.60 1.0 10.00 0.02 0.16) = 0.539% T HG3 LYS+ 56 - HB ILE 85 10.000% * 0.5032% (0.56 1.0 10.00 0.02 0.02) = 0.503% T QD2 LEU 82 - HB ILE 85 10.000% * 0.3654% (0.41 1.0 10.00 0.02 0.02) = 0.365% QG2 VAL 52 - HB ILE 85 10.000% * 0.0222% (0.25 1.0 1.00 0.02 2.88) = 0.022% HB3 ARG+ 48 - HB ILE 85 10.000% * 0.0176% (0.20 1.0 1.00 0.02 0.02) = 0.018% Peak 3009 (4.75, 0.98, 59.99 ppm): 12 chemical-shift based assignments, quality = 0.983, support = 5.39, residual support = 124.0: O HA ILE 85 - QG2 ILE 85 8.333% * 97.1661% (1.00 10.0 5.52 127.62) = 97.166% kept HA LYS+ 55 - QG2 ILE 85 8.333% * 1.4283% (1.00 1.0 0.29 0.52) = 1.428% kept HA LYS+ 55 - QG2 ILE 14 8.333% * 1.0632% (0.13 1.0 1.65 0.98) = 1.063% kept HA ALA 34 - QG2 ILE 14 8.333% * 0.0770% (0.06 1.0 0.27 0.02) = 0.077% HA LYS+ 20 - QG2 ILE 14 8.333% * 0.0667% (0.04 1.0 0.34 0.02) = 0.067% HA ARG+ 53 - QG2 ILE 14 8.333% * 0.0651% (0.04 1.0 0.33 0.02) = 0.065% HA ALA 34 - QG2 ILE 85 8.333% * 0.0437% (0.45 1.0 0.02 0.02) = 0.044% HA LYS+ 20 - QG2 ILE 85 8.333% * 0.0301% (0.31 1.0 0.02 0.02) = 0.030% HA ARG+ 53 - QG2 ILE 85 8.333% * 0.0301% (0.31 1.0 0.02 0.02) = 0.030% HA THR 64 - QG2 ILE 85 8.333% * 0.0150% (0.15 1.0 0.02 0.51) = 0.015% HA ILE 85 - QG2 ILE 14 8.333% * 0.0129% (0.13 1.0 0.02 0.16) = 0.013% HA THR 64 - QG2 ILE 14 8.333% * 0.0020% (0.02 1.0 0.02 0.44) = 0.002% Peak 3010 (2.14, 0.98, 59.99 ppm): 16 chemical-shift based assignments, quality = 0.865, support = 3.79, residual support = 54.5: O T HB ILE 85 - QG2 ILE 85 6.250% * 40.7151% (0.94 10.0 10.00 5.62 127.62) = 40.715% kept T QG GLN 8 - QG2 ILE 85 6.250% * 35.9509% (0.83 1.0 10.00 3.42 5.78) = 35.951% kept T HB2 ASN 74 - QG2 ILE 85 6.250% * 18.0190% (0.98 1.0 10.00 0.85 0.63) = 18.019% kept T QG GLN 8 - QG2 ILE 14 6.250% * 4.7601% (0.11 1.0 10.00 2.45 6.50) = 4.760% kept T HB2 ASN 74 - QG2 ILE 14 6.250% * 0.2736% (0.13 1.0 10.00 0.10 0.02) = 0.274% T HB2 LEU 82 - QG2 ILE 85 6.250% * 0.0852% (0.20 1.0 10.00 0.02 0.02) = 0.085% T HB ILE 85 - QG2 ILE 14 6.250% * 0.0539% (0.12 1.0 10.00 0.02 0.16) = 0.054% HB3 MET 101 - QG2 ILE 85 6.250% * 0.0397% (0.92 1.0 1.00 0.02 0.02) = 0.040% QB MET 10 - QG2 ILE 85 6.250% * 0.0313% (0.72 1.0 1.00 0.02 0.02) = 0.031% QB MET 10 - QG2 ILE 14 6.250% * 0.0290% (0.10 1.0 1.00 0.14 0.02) = 0.029% HB2 GLU- 59 - QG2 ILE 85 6.250% * 0.0162% (0.37 1.0 1.00 0.02 2.09) = 0.016% T HB2 LEU 82 - QG2 ILE 14 6.250% * 0.0113% (0.03 1.0 10.00 0.02 0.54) = 0.011% HB2 MET 1 - QG2 ILE 85 6.250% * 0.0066% (0.15 1.0 1.00 0.02 0.02) = 0.007% HB3 MET 101 - QG2 ILE 14 6.250% * 0.0053% (0.12 1.0 1.00 0.02 0.02) = 0.005% HB2 GLU- 59 - QG2 ILE 14 6.250% * 0.0021% (0.05 1.0 1.00 0.02 0.29) = 0.002% HB2 MET 1 - QG2 ILE 14 6.250% * 0.0009% (0.02 1.0 1.00 0.02 0.02) = 0.001% Peak 3011 (1.57, 0.98, 59.99 ppm): 10 chemical-shift based assignments, quality = 0.937, support = 4.85, residual support = 125.0: O HG12 ILE 85 - QG2 ILE 85 10.000% * 97.9550% (0.94 10.0 4.94 127.62) = 97.955% kept QG ARG+ 90 - QG2 ILE 85 10.000% * 1.8799% (0.69 1.0 0.53 0.02) = 1.880% kept HG2 LYS+ 72 - QG2 ILE 85 10.000% * 0.0711% (0.69 1.0 0.02 0.02) = 0.071% QG LYS+ 80 - QG2 ILE 85 10.000% * 0.0389% (0.37 1.0 0.02 0.02) = 0.039% QB LEU 26 - QG2 ILE 85 10.000% * 0.0160% (0.15 1.0 0.02 0.27) = 0.016% HG12 ILE 85 - QG2 ILE 14 10.000% * 0.0130% (0.12 1.0 0.02 0.16) = 0.013% QG ARG+ 90 - QG2 ILE 14 10.000% * 0.0094% (0.09 1.0 0.02 0.02) = 0.009% HG2 LYS+ 72 - QG2 ILE 14 10.000% * 0.0094% (0.09 1.0 0.02 0.02) = 0.009% QG LYS+ 80 - QG2 ILE 14 10.000% * 0.0051% (0.05 1.0 0.02 0.02) = 0.005% QB LEU 26 - QG2 ILE 14 10.000% * 0.0021% (0.02 1.0 0.02 1.13) = 0.002% Peak 3012 (2.85, 0.98, 59.99 ppm): 4 chemical-shift based assignments, quality = 0.365, support = 1.31, residual support = 1.92: HB2 ASN 75 - QG2 ILE 85 25.000% * 64.8919% (0.41 1.52 2.45) = 64.892% kept HB2 TYR 31 - QG2 ILE 85 25.000% * 31.2776% (0.31 0.97 1.04) = 31.278% kept HB2 ASN 75 - QG2 ILE 14 25.000% * 3.7455% (0.05 0.66 0.11) = 3.745% kept HB2 TYR 31 - QG2 ILE 14 25.000% * 0.0851% (0.04 0.02 0.02) = 0.085% Peak 3013 (2.85, 2.14, 40.02 ppm): 2 chemical-shift based assignments, quality = 0.374, support = 1.57, residual support = 1.99: HB2 ASN 75 - HB ILE 85 50.000% * 67.2936% (0.41 1.77 2.45) = 67.294% kept HB2 TYR 31 - HB ILE 85 50.000% * 32.7064% (0.31 1.15 1.04) = 32.706% kept Peak 3015 (2.13, 1.06, 27.95 ppm): 7 chemical-shift based assignments, quality = 0.956, support = 5.0, residual support = 121.6: O HB ILE 85 - HG13 ILE 85 14.286% * 95.2243% (0.96 10.0 5.21 127.62) = 95.224% kept HB2 ASN 74 - HG13 ILE 85 14.286% * 4.4831% (0.93 1.0 0.98 0.63) = 4.483% kept HB3 MET 101 - HG13 ILE 85 14.286% * 0.0963% (0.97 1.0 0.02 0.02) = 0.096% QB MET 10 - HG13 ILE 85 14.286% * 0.0938% (0.95 1.0 0.02 0.02) = 0.094% QG GLN 8 - HG13 ILE 85 14.286% * 0.0511% (0.52 1.0 0.02 5.78) = 0.051% HB2 MET 1 - HG13 ILE 85 14.286% * 0.0365% (0.37 1.0 0.02 0.02) = 0.036% HB2 GLU- 59 - HG13 ILE 85 14.286% * 0.0150% (0.15 1.0 0.02 2.09) = 0.015% Peak 3016 (2.14, 1.57, 27.95 ppm): 8 chemical-shift based assignments, quality = 0.928, support = 5.09, residual support = 117.6: O T HB ILE 85 - HG12 ILE 85 12.500% * 92.0158% (0.94 10.0 10.00 5.46 127.62) = 92.016% kept HB2 ASN 74 - HG12 ILE 85 12.500% * 4.6785% (0.97 1.0 1.00 0.98 0.63) = 4.679% kept QG GLN 8 - HG12 ILE 85 12.500% * 1.8880% (0.83 1.0 1.00 0.46 5.78) = 1.888% kept HB2 GLU- 59 - HG12 ILE 85 12.500% * 1.2230% (0.37 1.0 1.00 0.67 2.09) = 1.223% kept HB3 MET 101 - HG12 ILE 85 12.500% * 0.0898% (0.91 1.0 1.00 0.02 0.02) = 0.090% QB MET 10 - HG12 ILE 85 12.500% * 0.0706% (0.72 1.0 1.00 0.02 0.02) = 0.071% HB2 LEU 82 - HG12 ILE 85 12.500% * 0.0193% (0.20 1.0 1.00 0.02 0.02) = 0.019% HB2 MET 1 - HG12 ILE 85 12.500% * 0.0150% (0.15 1.0 1.00 0.02 0.02) = 0.015% Peak 3017 (1.56, 1.06, 27.95 ppm): 4 chemical-shift based assignments, quality = 0.784, support = 4.81, residual support = 127.4: O HG12 ILE 85 - HG13 ILE 85 25.000% * 99.8299% (0.78 10.0 4.82 127.62) = 99.830% kept HG2 LYS+ 72 - HG13 ILE 85 25.000% * 0.1236% (0.97 1.0 0.02 0.02) = 0.124% HG2 GLU- 23 - HG13 ILE 85 25.000% * 0.0247% (0.19 1.0 0.02 0.02) = 0.025% QG ARG+ 90 - HG13 ILE 85 25.000% * 0.0218% (0.17 1.0 0.02 0.02) = 0.022% Peak 3018 (4.75, 1.06, 27.95 ppm): 6 chemical-shift based assignments, quality = 0.976, support = 4.61, residual support = 127.3: O T HA ILE 85 - HG13 ILE 85 16.667% * 99.7782% (0.98 10.0 10.00 4.62 127.62) = 99.778% kept HA LYS+ 55 - HG13 ILE 85 16.667% * 0.0998% (0.98 1.0 1.00 0.02 0.52) = 0.100% HA ALA 34 - HG13 ILE 85 16.667% * 0.0448% (0.44 1.0 1.00 0.02 0.02) = 0.045% HA LYS+ 20 - HG13 ILE 85 16.667% * 0.0309% (0.30 1.0 1.00 0.02 0.02) = 0.031% HA ARG+ 53 - HG13 ILE 85 16.667% * 0.0309% (0.30 1.0 1.00 0.02 0.02) = 0.031% HA THR 64 - HG13 ILE 85 16.667% * 0.0154% (0.15 1.0 1.00 0.02 0.51) = 0.015% Peak 3019 (4.75, 1.57, 27.95 ppm): 6 chemical-shift based assignments, quality = 0.886, support = 5.27, residual support = 127.2: O HA ILE 85 - HG12 ILE 85 16.667% * 99.6597% (0.89 10.0 5.29 127.62) = 99.660% kept HA LYS+ 55 - HG12 ILE 85 16.667% * 0.0928% (0.83 1.0 0.02 0.52) = 0.093% HA ALA 34 - HG12 ILE 85 16.667% * 0.0849% (0.76 1.0 0.02 0.02) = 0.085% HA LYS+ 20 - HG12 ILE 85 16.667% * 0.0674% (0.60 1.0 0.02 0.02) = 0.067% HA ARG+ 53 - HG12 ILE 85 16.667% * 0.0674% (0.60 1.0 0.02 0.02) = 0.067% HA HIS 99 - HG12 ILE 85 16.667% * 0.0277% (0.25 1.0 0.02 0.02) = 0.028% Peak 3020 (0.99, 0.89, 55.79 ppm): 16 chemical-shift based assignments, quality = 0.883, support = 3.63, residual support = 80.9: QG2 ILE 85 - QD1 ILE 85 6.250% * 63.2916% (0.92 1.00 5.21 127.62) = 63.292% kept QG2 THR 64 - QD1 ILE 85 6.250% * 15.1352% (1.00 1.00 1.15 0.51) = 15.135% kept QG1 VAL 40 - QD1 ILE 85 6.250% * 9.1596% (0.87 1.00 0.80 0.15) = 9.160% kept QD1 ILE 38 - QD1 ILE 85 6.250% * 8.0688% (0.69 1.00 0.89 0.02) = 8.069% kept QD2 LEU 82 - QD1 ILE 85 6.250% * 1.7551% (0.17 1.00 0.76 0.02) = 1.755% kept HG LEU 76 - QD1 ILE 85 6.250% * 1.2966% (0.87 1.00 0.11 1.06) = 1.297% kept QG2 THR 64 - QD1 ILE 95 6.250% * 0.8474% (0.09 1.00 0.70 0.02) = 0.847% T QG1 VAL 40 - QD1 ILE 95 6.250% * 0.2120% (0.08 10.00 0.02 0.02) = 0.212% QG2 ILE 14 - QD1 ILE 85 6.250% * 0.0813% (0.31 1.00 0.02 0.16) = 0.081% HG3 LYS+ 56 - QD1 ILE 85 6.250% * 0.0732% (0.28 1.00 0.02 0.02) = 0.073% QG2 ILE 85 - QD1 ILE 95 6.250% * 0.0226% (0.09 1.00 0.02 4.90) = 0.023% HG LEU 76 - QD1 ILE 95 6.250% * 0.0212% (0.08 1.00 0.02 0.02) = 0.021% QD1 ILE 38 - QD1 ILE 95 6.250% * 0.0168% (0.06 1.00 0.02 0.02) = 0.017% QG2 ILE 14 - QD1 ILE 95 6.250% * 0.0075% (0.03 1.00 0.02 0.16) = 0.008% HG3 LYS+ 56 - QD1 ILE 95 6.250% * 0.0068% (0.03 1.00 0.02 0.02) = 0.007% QD2 LEU 82 - QD1 ILE 95 6.250% * 0.0043% (0.02 1.00 0.02 0.38) = 0.004% Peak 3021 (1.06, 0.89, 55.79 ppm): 6 chemical-shift based assignments, quality = 0.959, support = 4.38, residual support = 122.9: O HG13 ILE 85 - QD1 ILE 85 16.667% * 96.2658% (0.98 10.0 4.52 127.62) = 96.266% kept QG1 VAL 52 - QD1 ILE 85 16.667% * 3.0534% (0.56 1.0 1.10 2.88) = 3.053% kept QG1 VAL 52 - QD1 ILE 95 16.667% * 0.5859% (0.05 1.0 2.27 1.23) = 0.586% HG2 LYS+ 56 - QD1 ILE 85 16.667% * 0.0786% (0.80 1.0 0.02 0.02) = 0.079% HG13 ILE 85 - QD1 ILE 95 16.667% * 0.0089% (0.09 1.0 0.02 4.90) = 0.009% HG2 LYS+ 56 - QD1 ILE 95 16.667% * 0.0073% (0.07 1.0 0.02 0.02) = 0.007% Peak 3022 (1.56, 0.89, 55.79 ppm): 8 chemical-shift based assignments, quality = 0.797, support = 4.82, residual support = 127.4: O HG12 ILE 85 - QD1 ILE 85 12.500% * 99.8049% (0.80 10.0 4.83 127.62) = 99.805% kept HG2 LYS+ 72 - QD1 ILE 85 12.500% * 0.1235% (0.99 1.0 0.02 0.02) = 0.124% HG2 GLU- 23 - QD1 ILE 85 12.500% * 0.0247% (0.20 1.0 0.02 0.02) = 0.025% QG ARG+ 90 - QD1 ILE 85 12.500% * 0.0218% (0.17 1.0 0.02 0.02) = 0.022% HG2 LYS+ 72 - QD1 ILE 95 12.500% * 0.0115% (0.09 1.0 0.02 0.19) = 0.011% HG12 ILE 85 - QD1 ILE 95 12.500% * 0.0093% (0.07 1.0 0.02 4.90) = 0.009% HG2 GLU- 23 - QD1 ILE 95 12.500% * 0.0023% (0.02 1.0 0.02 0.02) = 0.002% QG ARG+ 90 - QD1 ILE 95 12.500% * 0.0020% (0.02 1.0 0.02 0.02) = 0.002% Peak 3023 (2.13, 0.89, 55.79 ppm): 14 chemical-shift based assignments, quality = 0.95, support = 4.88, residual support = 110.5: O T HB ILE 85 - QD1 ILE 85 7.143% * 86.3185% (0.98 10.0 10.00 5.44 127.62) = 86.319% kept QG GLN 8 - QD1 ILE 85 7.143% * 4.9531% (0.52 1.0 1.00 2.14 5.78) = 4.953% kept HB2 ASN 74 - QD1 ILE 85 7.143% * 4.6452% (0.94 1.0 1.00 1.12 0.63) = 4.645% kept QB MET 10 - QD1 ILE 85 7.143% * 3.7031% (0.96 1.0 1.00 0.87 0.02) = 3.703% kept T HB2 GLU- 59 - QD1 ILE 85 7.143% * 0.1359% (0.15 1.0 10.00 0.02 2.09) = 0.136% HB3 MET 101 - QD1 ILE 85 7.143% * 0.0873% (0.99 1.0 1.00 0.02 0.02) = 0.087% T HB ILE 85 - QD1 ILE 95 7.143% * 0.0801% (0.09 1.0 10.00 0.02 4.90) = 0.080% HB2 MET 1 - QD1 ILE 85 7.143% * 0.0331% (0.37 1.0 1.00 0.02 0.02) = 0.033% T HB2 GLU- 59 - QD1 ILE 95 7.143% * 0.0126% (0.01 1.0 10.00 0.02 0.02) = 0.013% HB3 MET 101 - QD1 ILE 95 7.143% * 0.0081% (0.09 1.0 1.00 0.02 0.02) = 0.008% QB MET 10 - QD1 ILE 95 7.143% * 0.0079% (0.09 1.0 1.00 0.02 0.02) = 0.008% HB2 ASN 74 - QD1 ILE 95 7.143% * 0.0077% (0.09 1.0 1.00 0.02 0.02) = 0.008% QG GLN 8 - QD1 ILE 95 7.143% * 0.0043% (0.05 1.0 1.00 0.02 5.29) = 0.004% HB2 MET 1 - QD1 ILE 95 7.143% * 0.0031% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 3024 (2.85, 0.89, 55.79 ppm): 6 chemical-shift based assignments, quality = 0.393, support = 0.959, residual support = 1.27: HB2 TYR 31 - QD1 ILE 85 16.667% * 48.4058% (0.56 0.86 1.04) = 48.406% kept HB2 PHE 28 - QD1 ILE 85 16.667% * 26.1298% (0.28 0.94 0.72) = 26.130% kept HB2 ASN 75 - QD1 ILE 85 16.667% * 23.7010% (0.20 1.20 2.45) = 23.701% kept HB2 PHE 28 - QD1 ILE 95 16.667% * 1.6224% (0.03 0.63 0.02) = 1.622% kept HB2 TYR 31 - QD1 ILE 95 16.667% * 0.1045% (0.05 0.02 0.02) = 0.105% HB2 ASN 75 - QD1 ILE 95 16.667% * 0.0365% (0.02 0.02 0.02) = 0.037% Peak 3025 (4.76, 0.89, 55.79 ppm): 8 chemical-shift based assignments, quality = 0.791, support = 4.78, residual support = 117.1: HA ILE 85 - QD1 ILE 85 12.500% * 91.7320% (0.83 5.14 127.62) = 91.732% kept HA THR 64 - QD1 ILE 85 12.500% * 6.9776% (0.37 0.87 0.51) = 6.978% kept HA LYS+ 55 - QD1 ILE 95 12.500% * 0.7668% (0.08 0.43 0.27) = 0.767% HA LYS+ 55 - QD1 ILE 85 12.500% * 0.3832% (0.89 0.02 0.52) = 0.383% HA ALA 34 - QD1 ILE 85 12.500% * 0.0845% (0.20 0.02 0.02) = 0.085% HA ILE 85 - QD1 ILE 95 12.500% * 0.0331% (0.08 0.02 4.90) = 0.033% HA THR 64 - QD1 ILE 95 12.500% * 0.0149% (0.03 0.02 0.02) = 0.015% HA ALA 34 - QD1 ILE 95 12.500% * 0.0078% (0.02 0.02 0.02) = 0.008% Peak 3027 (5.03, 0.89, 55.79 ppm): 6 chemical-shift based assignments, quality = 0.724, support = 1.53, residual support = 11.1: HA VAL 94 - QD1 ILE 85 16.667% * 31.0909% (0.89 0.69 9.87) = 31.091% kept HA PHE 9 - QD1 ILE 85 16.667% * 26.6715% (1.00 0.53 0.71) = 26.672% kept HA VAL 94 - QD1 ILE 95 16.667% * 21.4189% (0.08 5.10 36.56) = 21.419% kept HA LEU 63 - QD1 ILE 85 16.667% * 18.5250% (0.87 0.42 0.02) = 18.525% kept HA PHE 9 - QD1 ILE 95 16.667% * 1.8738% (0.09 0.40 0.02) = 1.874% kept HA LEU 63 - QD1 ILE 95 16.667% * 0.4200% (0.08 0.10 0.66) = 0.420% Peak 3028 (6.80, 0.98, 59.99 ppm): 2 chemical-shift based assignments, quality = 0.173, support = 0.256, residual support = 2.03: HE22 GLN 83 - QG2 ILE 85 50.000% * 98.9850% (0.17 0.26 2.05) = 98.985% kept HE22 GLN 83 - QG2 ILE 14 50.000% * 1.0150% (0.02 0.02 0.02) = 1.015% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 3029 (9.63, 0.98, 59.99 ppm): 6 chemical-shift based assignments, quality = 0.624, support = 3.5, residual support = 78.1: HN ILE 85 - QG2 ILE 85 16.667% * 60.1925% (0.56 4.67 127.62) = 60.192% kept HN VAL 52 - QG2 ILE 85 16.667% * 28.8196% (0.92 1.37 2.88) = 28.820% kept HN TYR 86 - QG2 ILE 85 16.667% * 10.8876% (0.17 2.73 3.73) = 10.888% kept HN VAL 52 - QG2 ILE 14 16.667% * 0.0557% (0.12 0.02 2.01) = 0.056% HN ILE 85 - QG2 ILE 14 16.667% * 0.0342% (0.07 0.02 0.16) = 0.034% HN TYR 86 - QG2 ILE 14 16.667% * 0.0106% (0.02 0.02 0.30) = 0.011% Peak 3030 (6.13, 1.57, 27.95 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3031 (9.63, 1.57, 27.95 ppm): 3 chemical-shift based assignments, quality = 0.613, support = 3.6, residual support = 74.3: HN ILE 85 - HG12 ILE 85 33.333% * 57.1682% (0.56 4.69 127.62) = 57.168% kept HN VAL 52 - HG12 ILE 85 33.333% * 29.4361% (0.91 1.48 2.88) = 29.436% kept HN TYR 86 - HG12 ILE 85 33.333% * 13.3957% (0.17 3.56 3.73) = 13.396% kept Peak 3032 (9.64, 1.06, 27.95 ppm): 2 chemical-shift based assignments, quality = 0.617, support = 3.3, residual support = 69.5: HN ILE 85 - HG13 ILE 85 50.000% * 53.4167% (0.30 5.00 127.62) = 53.417% kept HN VAL 52 - HG13 ILE 85 50.000% * 46.5833% (0.98 1.35 2.88) = 46.583% kept Peak 3033 (7.35, 0.89, 55.79 ppm): 6 chemical-shift based assignments, quality = 0.618, support = 1.05, residual support = 1.9: HD21 ASN 29 - QD1 ILE 85 16.667% * 59.0685% (0.89 0.87 1.19) = 59.069% kept HE21 GLN 83 - QD1 ILE 85 16.667% * 25.8839% (0.31 1.11 2.05) = 25.884% kept HD21 ASN 29 - QD1 ILE 95 16.667% * 10.0803% (0.08 1.60 1.49) = 10.080% kept HE21 GLN 83 - QD1 ILE 95 16.667% * 4.3459% (0.03 2.00 11.96) = 4.346% kept HN ASN 69 - QD1 ILE 85 16.667% * 0.5685% (0.37 0.02 0.02) = 0.569% HN ASN 69 - QD1 ILE 95 16.667% * 0.0528% (0.03 0.02 0.02) = 0.053% Peak 3034 (9.63, 0.89, 55.79 ppm): 6 chemical-shift based assignments, quality = 0.602, support = 3.36, residual support = 73.4: HN ILE 85 - QD1 ILE 85 16.667% * 56.3785% (0.56 4.45 127.62) = 56.378% kept HN VAL 52 - QD1 ILE 85 16.667% * 28.1839% (0.92 1.36 2.88) = 28.184% kept HN TYR 86 - QD1 ILE 85 16.667% * 12.9084% (0.17 3.29 3.73) = 12.908% kept HN ILE 85 - QD1 ILE 95 16.667% * 2.3077% (0.05 1.96 4.90) = 2.308% kept HN VAL 52 - QD1 ILE 95 16.667% * 0.2143% (0.09 0.11 1.23) = 0.214% HN TYR 86 - QD1 ILE 95 16.667% * 0.0073% (0.02 0.02 0.73) = 0.007% Peak 3035 (1.35, 2.09, 26.60 ppm): 7 chemical-shift based assignments, quality = 0.476, support = 2.71, residual support = 55.4: O T HG2 ARG+ 88 - QB ARG+ 88 14.286% * 60.4600% (0.19 10.0 10.00 4.34 91.54) = 60.460% kept T QB ALA 34 - QB ARG+ 88 14.286% * 30.4559% (0.97 1.0 10.00 0.20 0.02) = 30.456% kept HG LEU 63 - QB ARG+ 88 14.286% * 4.3610% (0.85 1.0 1.00 0.33 0.02) = 4.361% kept QG LYS+ 55 - QB ARG+ 88 14.286% * 2.2003% (0.67 1.0 1.00 0.21 0.02) = 2.200% kept HG12 ILE 14 - QB ARG+ 88 14.286% * 1.1555% (0.67 1.0 1.00 0.11 0.02) = 1.155% kept HG2 LYS+ 17 - QB ARG+ 88 14.286% * 1.0725% (0.27 1.0 1.00 0.25 0.02) = 1.072% kept QG LYS+ 60 - QB ARG+ 88 14.286% * 0.2948% (0.95 1.0 1.00 0.02 0.02) = 0.295% Peak 3036 (1.13, 2.09, 26.60 ppm): 6 chemical-shift based assignments, quality = 0.809, support = 4.17, residual support = 90.4: O T HG3 ARG+ 88 - QB ARG+ 88 16.667% * 98.7708% (0.82 10.0 10.00 4.22 91.54) = 98.771% kept T HG13 ILE 95 - QB ARG+ 88 16.667% * 0.9469% (0.78 1.0 10.00 0.02 0.02) = 0.947% QG2 ILE 38 - QB ARG+ 88 16.667% * 0.1172% (0.97 1.0 1.00 0.02 0.37) = 0.117% QG2 VAL 65 - QB ARG+ 88 16.667% * 0.0717% (0.59 1.0 1.00 0.02 0.02) = 0.072% HG13 ILE 14 - QB ARG+ 88 16.667% * 0.0530% (0.44 1.0 1.00 0.02 0.02) = 0.053% HG12 ILE 24 - QB ARG+ 88 16.667% * 0.0403% (0.33 1.0 1.00 0.02 0.02) = 0.040% Peak 3037 (1.13, 1.38, 28.59 ppm): 7 chemical-shift based assignments, quality = 0.935, support = 4.02, residual support = 87.9: O HG3 ARG+ 88 - HG2 ARG+ 88 14.286% * 95.9804% (0.94 10.0 4.15 91.54) = 95.980% kept QG2 ILE 38 - HG2 ARG+ 88 14.286% * 3.8000% (0.91 1.0 0.81 0.37) = 3.800% kept QG2 VAL 65 - HG2 ARG+ 88 14.286% * 0.0775% (0.76 1.0 0.02 0.02) = 0.078% HG13 ILE 95 - HG2 ARG+ 88 14.286% * 0.0656% (0.64 1.0 0.02 0.02) = 0.066% HG13 ILE 14 - HG2 ARG+ 88 14.286% * 0.0313% (0.31 1.0 0.02 0.02) = 0.031% HG12 ILE 24 - HG2 ARG+ 88 14.286% * 0.0226% (0.22 1.0 0.02 0.02) = 0.023% HG3 ARG+ 48 - HG2 ARG+ 88 14.286% * 0.0226% (0.22 1.0 0.02 0.02) = 0.023% Peak 3040 (2.08, 1.38, 28.59 ppm): 6 chemical-shift based assignments, quality = 0.958, support = 4.24, residual support = 89.1: O T QB ARG+ 88 - HG2 ARG+ 88 16.667% * 97.3546% (0.97 10.0 10.00 4.34 91.54) = 97.355% kept HB3 PRO 37 - HG2 ARG+ 88 16.667% * 1.2333% (0.41 1.0 1.00 0.60 0.02) = 1.233% kept HG3 GLN 83 - HG2 ARG+ 88 16.667% * 1.1932% (0.64 1.0 1.00 0.37 0.02) = 1.193% kept HB2 LYS+ 11 - HG2 ARG+ 88 16.667% * 0.0984% (0.98 1.0 1.00 0.02 0.02) = 0.098% HG2 MET 54 - HG2 ARG+ 88 16.667% * 0.0721% (0.72 1.0 1.00 0.02 0.02) = 0.072% HB2 GLU- 16 - HG2 ARG+ 88 16.667% * 0.0483% (0.48 1.0 1.00 0.02 0.02) = 0.048% Peak 3041 (3.03, 1.38, 28.59 ppm): 5 chemical-shift based assignments, quality = 0.978, support = 3.81, residual support = 89.1: O HA ARG+ 88 - HG2 ARG+ 88 20.000% * 97.1886% (0.98 10.0 3.90 91.54) = 97.189% kept HB3 ASN 69 - HG2 ARG+ 88 20.000% * 2.6223% (0.89 1.0 0.60 3.18) = 2.622% kept HE2 LYS+ 60 - HG2 ARG+ 88 20.000% * 0.0819% (0.83 1.0 0.02 0.02) = 0.082% HB2 TYR 97 - HG2 ARG+ 88 20.000% * 0.0595% (0.60 1.0 0.02 0.02) = 0.059% QE LYS+ 20 - HG2 ARG+ 88 20.000% * 0.0477% (0.48 1.0 0.02 0.02) = 0.048% Peak 3043 (2.09, 1.14, 28.59 ppm): 14 chemical-shift based assignments, quality = 0.966, support = 4.16, residual support = 90.4: O T QB ARG+ 88 - HG3 ARG+ 88 7.143% * 98.7215% (0.98 10.0 10.00 4.22 91.54) = 98.721% kept HG2 MET 54 - HG3 ARG+ 88 7.143% * 0.5319% (0.85 1.0 1.00 0.12 0.02) = 0.532% T QB ARG+ 88 - HG13 ILE 95 7.143% * 0.3435% (0.34 1.0 10.00 0.02 0.02) = 0.344% HB2 LYS+ 11 - HG3 ARG+ 88 7.143% * 0.0913% (0.90 1.0 1.00 0.02 0.02) = 0.091% HB2 GLU- 16 - HG3 ARG+ 88 7.143% * 0.0640% (0.63 1.0 1.00 0.02 0.02) = 0.064% HB3 PRO 37 - HG3 ARG+ 88 7.143% * 0.0560% (0.55 1.0 1.00 0.02 0.02) = 0.056% HG3 GLN 83 - HG3 ARG+ 88 7.143% * 0.0482% (0.48 1.0 1.00 0.02 0.02) = 0.048% HB2 LYS+ 11 - HG13 ILE 95 7.143% * 0.0318% (0.31 1.0 1.00 0.02 0.02) = 0.032% HG2 MET 54 - HG13 ILE 95 7.143% * 0.0299% (0.30 1.0 1.00 0.02 0.02) = 0.030% HB2 GLU- 16 - HG13 ILE 95 7.143% * 0.0223% (0.22 1.0 1.00 0.02 0.02) = 0.022% HB3 PRO 37 - HG13 ILE 95 7.143% * 0.0195% (0.19 1.0 1.00 0.02 0.02) = 0.019% HB2 MET 1 - HG3 ARG+ 88 7.143% * 0.0173% (0.17 1.0 1.00 0.02 0.02) = 0.017% HG3 GLN 83 - HG13 ILE 95 7.143% * 0.0168% (0.17 1.0 1.00 0.02 11.96) = 0.017% HB2 MET 1 - HG13 ILE 95 7.143% * 0.0060% (0.06 1.0 1.00 0.02 0.02) = 0.006% Peak 3044 (2.97, 1.14, 28.59 ppm): 16 chemical-shift based assignments, quality = 0.946, support = 3.35, residual support = 79.4: O HD3 ARG+ 88 - HG3 ARG+ 88 6.250% * 85.1594% (0.96 10.0 3.43 91.54) = 85.159% kept HB2 ASP- 89 - HG3 ARG+ 88 6.250% * 12.8373% (0.88 1.0 3.30 11.31) = 12.837% kept HD3 ARG+ 48 - HG3 ARG+ 88 6.250% * 1.5093% (0.98 1.0 0.35 0.02) = 1.509% kept QE LYS+ 55 - HG3 ARG+ 88 6.250% * 0.0838% (0.95 1.0 0.02 0.02) = 0.084% HE3 LYS+ 60 - HG3 ARG+ 88 6.250% * 0.0822% (0.93 1.0 0.02 0.02) = 0.082% QE LYS+ 17 - HG3 ARG+ 88 6.250% * 0.0664% (0.75 1.0 0.02 0.02) = 0.066% HB3 PHE 9 - HG3 ARG+ 88 6.250% * 0.0562% (0.63 1.0 0.02 0.02) = 0.056% HD3 ARG+ 48 - HG13 ILE 95 6.250% * 0.0302% (0.34 1.0 0.02 0.02) = 0.030% HD3 ARG+ 88 - HG13 ILE 95 6.250% * 0.0296% (0.33 1.0 0.02 0.02) = 0.030% QE LYS+ 55 - HG13 ILE 95 6.250% * 0.0292% (0.33 1.0 0.02 0.27) = 0.029% HE3 LYS+ 60 - HG13 ILE 95 6.250% * 0.0286% (0.32 1.0 0.02 0.02) = 0.029% HB2 ASP- 89 - HG13 ILE 95 6.250% * 0.0271% (0.31 1.0 0.02 0.02) = 0.027% QE LYS+ 17 - HG13 ILE 95 6.250% * 0.0231% (0.26 1.0 0.02 0.02) = 0.023% HB3 PHE 9 - HG13 ILE 95 6.250% * 0.0196% (0.22 1.0 0.02 0.02) = 0.020% QE LYS+ 11 - HG3 ARG+ 88 6.250% * 0.0134% (0.15 1.0 0.02 0.02) = 0.013% QE LYS+ 11 - HG13 ILE 95 6.250% * 0.0047% (0.05 1.0 0.02 0.02) = 0.005% Peak 3045 (3.03, 1.14, 28.59 ppm): 10 chemical-shift based assignments, quality = 0.964, support = 3.65, residual support = 88.7: O HA ARG+ 88 - HG3 ARG+ 88 10.000% * 96.8140% (0.97 10.0 3.76 91.54) = 96.814% kept HB3 ASN 69 - HG3 ARG+ 88 10.000% * 2.6145% (0.88 1.0 0.60 3.18) = 2.615% kept HE2 LYS+ 60 - HG3 ARG+ 88 10.000% * 0.3349% (0.82 1.0 0.08 0.02) = 0.335% HB2 TYR 97 - HG3 ARG+ 88 10.000% * 0.0592% (0.59 1.0 0.02 0.02) = 0.059% QE LYS+ 20 - HG3 ARG+ 88 10.000% * 0.0475% (0.48 1.0 0.02 0.02) = 0.048% HA ARG+ 88 - HG13 ILE 95 10.000% * 0.0337% (0.34 1.0 0.02 0.02) = 0.034% HB3 ASN 69 - HG13 ILE 95 10.000% * 0.0305% (0.31 1.0 0.02 0.02) = 0.030% HE2 LYS+ 60 - HG13 ILE 95 10.000% * 0.0284% (0.28 1.0 0.02 0.02) = 0.028% HB2 TYR 97 - HG13 ILE 95 10.000% * 0.0206% (0.21 1.0 0.02 0.02) = 0.021% QE LYS+ 20 - HG13 ILE 95 10.000% * 0.0165% (0.17 1.0 0.02 0.02) = 0.017% Peak 3046 (3.22, 1.14, 28.59 ppm): 6 chemical-shift based assignments, quality = 0.67, support = 4.25, residual support = 91.1: O T HD2 ARG+ 88 - HG3 ARG+ 88 16.667% * 99.4735% (0.67 10.0 10.00 4.27 91.54) = 99.473% kept T HD2 ARG+ 88 - HG13 ILE 95 16.667% * 0.3462% (0.23 1.0 10.00 0.02 0.02) = 0.346% HB2 ASN 69 - HG3 ARG+ 88 16.667% * 0.1052% (0.71 1.0 1.00 0.02 3.18) = 0.105% HB2 ASN 69 - HG13 ILE 95 16.667% * 0.0366% (0.25 1.0 1.00 0.02 0.02) = 0.037% HB3 SER 18 - HG3 ARG+ 88 16.667% * 0.0287% (0.19 1.0 1.00 0.02 0.02) = 0.029% HB3 SER 18 - HG13 ILE 95 16.667% * 0.0100% (0.07 1.0 1.00 0.02 0.02) = 0.010% Peak 3047 (2.96, 1.38, 28.59 ppm): 7 chemical-shift based assignments, quality = 0.898, support = 3.54, residual support = 78.5: O HD3 ARG+ 88 - HG2 ARG+ 88 14.286% * 83.8058% (0.89 10.0 3.58 91.54) = 83.806% kept HB2 ASP- 89 - HG2 ARG+ 88 14.286% * 15.7604% (0.97 1.0 3.44 11.31) = 15.760% kept QE LYS+ 55 - HG2 ARG+ 88 14.286% * 0.0934% (0.99 1.0 0.02 0.02) = 0.093% HE3 LYS+ 60 - HG2 ARG+ 88 14.286% * 0.0932% (0.99 1.0 0.02 0.02) = 0.093% HD3 ARG+ 48 - HG2 ARG+ 88 14.286% * 0.0884% (0.94 1.0 0.02 0.02) = 0.088% QE LYS+ 17 - HG2 ARG+ 88 14.286% * 0.0838% (0.89 1.0 0.02 0.02) = 0.084% HB3 PHE 9 - HG2 ARG+ 88 14.286% * 0.0748% (0.79 1.0 0.02 0.02) = 0.075% Peak 3048 (3.22, 1.38, 28.59 ppm): 3 chemical-shift based assignments, quality = 0.68, support = 4.41, residual support = 91.4: O T HD2 ARG+ 88 - HG2 ARG+ 88 33.333% * 99.8657% (0.68 10.0 10.00 4.42 91.54) = 99.866% kept HB2 ASN 69 - HG2 ARG+ 88 33.333% * 0.1056% (0.72 1.0 1.00 0.02 3.18) = 0.106% HB3 SER 18 - HG2 ARG+ 88 33.333% * 0.0288% (0.20 1.0 1.00 0.02 0.02) = 0.029% Peak 3049 (3.03, 3.23, 43.49 ppm): 5 chemical-shift based assignments, quality = 0.962, support = 3.61, residual support = 73.7: HA ARG+ 88 - HD2 ARG+ 88 20.000% * 79.8605% (0.99 4.27 91.54) = 79.861% kept HB3 ASN 69 - HD2 ARG+ 88 20.000% * 18.4164% (0.89 1.09 3.18) = 18.416% kept HB2 TYR 97 - HD2 ARG+ 88 20.000% * 1.2244% (0.61 0.11 0.02) = 1.224% kept HE2 LYS+ 60 - HD2 ARG+ 88 20.000% * 0.3151% (0.83 0.02 0.02) = 0.315% QE LYS+ 20 - HD2 ARG+ 88 20.000% * 0.1836% (0.49 0.02 0.02) = 0.184% Peak 3050 (2.97, 3.23, 43.49 ppm): 8 chemical-shift based assignments, quality = 0.963, support = 3.52, residual support = 78.7: O HD3 ARG+ 88 - HD2 ARG+ 88 12.500% * 84.2339% (0.98 10.0 3.54 91.54) = 84.234% kept HB2 ASP- 89 - HD2 ARG+ 88 12.500% * 14.3361% (0.89 1.0 3.72 11.31) = 14.336% kept HD3 ARG+ 48 - HD2 ARG+ 88 12.500% * 1.1313% (1.00 1.0 0.26 0.02) = 1.131% kept QE LYS+ 55 - HD2 ARG+ 88 12.500% * 0.0829% (0.96 1.0 0.02 0.02) = 0.083% HE3 LYS+ 60 - HD2 ARG+ 88 12.500% * 0.0813% (0.94 1.0 0.02 0.02) = 0.081% QE LYS+ 17 - HD2 ARG+ 88 12.500% * 0.0657% (0.76 1.0 0.02 0.02) = 0.066% HB3 PHE 9 - HD2 ARG+ 88 12.500% * 0.0556% (0.65 1.0 0.02 0.02) = 0.056% QE LYS+ 11 - HD2 ARG+ 88 12.500% * 0.0133% (0.15 1.0 0.02 0.02) = 0.013% Peak 3051 (3.22, 2.97, 43.49 ppm): 6 chemical-shift based assignments, quality = 0.823, support = 3.45, residual support = 88.9: O T HD2 ARG+ 88 - HD3 ARG+ 88 16.667% * 97.0241% (0.83 10.0 10.00 3.54 91.54) = 97.024% kept HB2 ASN 69 - HD3 ARG+ 88 16.667% * 2.4661% (0.56 1.0 1.00 0.75 3.18) = 2.466% kept T HD2 ARG+ 88 - HD3 ARG+ 48 16.667% * 0.2587% (0.22 1.0 10.00 0.02 0.02) = 0.259% T HD2 ARG+ 88 - HE3 LYS+ 60 16.667% * 0.2187% (0.19 1.0 10.00 0.02 0.02) = 0.219% HB2 ASN 69 - HD3 ARG+ 48 16.667% * 0.0175% (0.15 1.0 1.00 0.02 0.14) = 0.018% HB2 ASN 69 - HE3 LYS+ 60 16.667% * 0.0148% (0.13 1.0 1.00 0.02 0.02) = 0.015% Peak 3052 (2.09, 2.97, 43.49 ppm): 21 chemical-shift based assignments, quality = 0.959, support = 3.5, residual support = 88.2: O QB ARG+ 88 - HD3 ARG+ 88 4.762% * 96.3192% (1.00 10.0 1.00 3.64 91.54) = 96.319% kept T HB2 LYS+ 11 - HD3 ARG+ 88 4.762% * 0.8911% (0.92 1.0 10.00 0.02 0.02) = 0.891% HG3 GLN 83 - HD3 ARG+ 88 4.762% * 0.7331% (0.49 1.0 1.00 0.31 0.02) = 0.733% HG2 MET 54 - HD3 ARG+ 48 4.762% * 0.5614% (0.23 1.0 1.00 0.50 5.85) = 0.561% HG2 MET 54 - HD3 ARG+ 88 4.762% * 0.5190% (0.87 1.0 1.00 0.12 0.02) = 0.519% QB ARG+ 88 - HD3 ARG+ 48 4.762% * 0.2741% (0.27 1.0 1.00 0.21 0.02) = 0.274% T HB2 LYS+ 11 - HD3 ARG+ 48 4.762% * 0.2376% (0.25 1.0 10.00 0.02 0.02) = 0.238% T HB2 LYS+ 11 - HE3 LYS+ 60 4.762% * 0.2008% (0.21 1.0 10.00 0.02 0.02) = 0.201% HB2 GLU- 16 - HD3 ARG+ 88 4.762% * 0.0624% (0.65 1.0 1.00 0.02 0.02) = 0.062% HB3 PRO 37 - HD3 ARG+ 88 4.762% * 0.0547% (0.56 1.0 1.00 0.02 0.02) = 0.055% QB ARG+ 88 - HE3 LYS+ 60 4.762% * 0.0217% (0.22 1.0 1.00 0.02 0.02) = 0.022% HG2 MET 54 - HE3 LYS+ 60 4.762% * 0.0189% (0.20 1.0 1.00 0.02 0.02) = 0.019% HB2 MET 1 - HD3 ARG+ 88 4.762% * 0.0169% (0.17 1.0 1.00 0.02 0.02) = 0.017% HB2 GLU- 16 - HD3 ARG+ 48 4.762% * 0.0167% (0.17 1.0 1.00 0.02 0.02) = 0.017% HB3 PRO 37 - HD3 ARG+ 48 4.762% * 0.0146% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB2 GLU- 16 - HE3 LYS+ 60 4.762% * 0.0141% (0.15 1.0 1.00 0.02 0.14) = 0.014% HG3 GLN 83 - HD3 ARG+ 48 4.762% * 0.0125% (0.13 1.0 1.00 0.02 0.02) = 0.013% HB3 PRO 37 - HE3 LYS+ 60 4.762% * 0.0123% (0.13 1.0 1.00 0.02 4.44) = 0.012% HG3 GLN 83 - HE3 LYS+ 60 4.762% * 0.0106% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB2 MET 1 - HD3 ARG+ 48 4.762% * 0.0045% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB2 MET 1 - HE3 LYS+ 60 4.762% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 3053 (1.37, 2.97, 43.49 ppm): 18 chemical-shift based assignments, quality = 0.871, support = 3.03, residual support = 77.3: O T HG2 ARG+ 88 - HD3 ARG+ 88 5.556% * 82.9220% (0.94 10.0 10.00 3.58 91.54) = 82.922% kept T HG2 LYS+ 17 - HD3 ARG+ 88 5.556% * 7.5969% (0.99 1.0 10.00 0.17 0.02) = 7.597% kept T HG2 LYS+ 17 - HE3 LYS+ 60 5.556% * 5.4595% (0.22 1.0 10.00 0.56 0.38) = 5.460% kept O QG LYS+ 60 - HE3 LYS+ 60 5.556% * 2.1992% (0.05 10.0 1.00 1.00 62.55) = 2.199% kept T QG LYS+ 55 - HD3 ARG+ 88 5.556% * 0.7322% (0.83 1.0 10.00 0.02 0.02) = 0.732% T HG2 LYS+ 17 - HD3 ARG+ 48 5.556% * 0.2317% (0.26 1.0 10.00 0.02 0.73) = 0.232% T HG2 ARG+ 88 - HD3 ARG+ 48 5.556% * 0.2211% (0.25 1.0 10.00 0.02 0.02) = 0.221% T QG LYS+ 55 - HD3 ARG+ 48 5.556% * 0.1952% (0.22 1.0 10.00 0.02 0.02) = 0.195% T HG2 ARG+ 88 - HE3 LYS+ 60 5.556% * 0.1869% (0.21 1.0 10.00 0.02 0.02) = 0.187% T QG LYS+ 55 - HE3 LYS+ 60 5.556% * 0.1650% (0.19 1.0 10.00 0.02 0.02) = 0.165% QB ALA 34 - HD3 ARG+ 88 5.556% * 0.0244% (0.28 1.0 1.00 0.02 0.02) = 0.024% QG LYS+ 60 - HD3 ARG+ 88 5.556% * 0.0195% (0.22 1.0 1.00 0.02 0.02) = 0.020% QB ALA 2 - HD3 ARG+ 88 5.556% * 0.0195% (0.22 1.0 1.00 0.02 0.02) = 0.020% QB ALA 34 - HD3 ARG+ 48 5.556% * 0.0065% (0.07 1.0 1.00 0.02 0.02) = 0.006% QB ALA 34 - HE3 LYS+ 60 5.556% * 0.0055% (0.06 1.0 1.00 0.02 0.02) = 0.005% QB ALA 2 - HD3 ARG+ 48 5.556% * 0.0052% (0.06 1.0 1.00 0.02 0.02) = 0.005% QG LYS+ 60 - HD3 ARG+ 48 5.556% * 0.0052% (0.06 1.0 1.00 0.02 0.02) = 0.005% QB ALA 2 - HE3 LYS+ 60 5.556% * 0.0044% (0.05 1.0 1.00 0.02 0.02) = 0.004% Peak 3054 (1.13, 2.97, 43.49 ppm): 24 chemical-shift based assignments, quality = 0.866, support = 3.33, residual support = 92.1: O T HG3 ARG+ 88 - HD3 ARG+ 88 4.167% * 84.2525% (0.99 10.0 10.00 3.43 91.54) = 84.252% kept O T HG3 ARG+ 48 - HD3 ARG+ 48 4.167% * 6.9955% (0.08 10.0 10.00 6.00 213.94) = 6.995% kept T HG3 ARG+ 88 - HD3 ARG+ 48 4.167% * 3.9112% (0.26 1.0 10.00 0.35 0.02) = 3.911% kept QG2 VAL 65 - HD3 ARG+ 88 4.167% * 1.7314% (0.87 1.0 1.00 0.47 0.02) = 1.731% kept T HG13 ILE 95 - HD3 ARG+ 48 4.167% * 1.4237% (0.14 1.0 10.00 0.24 0.02) = 1.424% kept T HG13 ILE 95 - HD3 ARG+ 88 4.167% * 0.4472% (0.52 1.0 10.00 0.02 0.02) = 0.447% QG2 VAL 65 - HD3 ARG+ 48 4.167% * 0.4339% (0.23 1.0 1.00 0.44 0.02) = 0.434% T HG3 ARG+ 48 - HD3 ARG+ 88 4.167% * 0.2624% (0.31 1.0 10.00 0.02 0.02) = 0.262% T HG3 ARG+ 88 - HE3 LYS+ 60 4.167% * 0.1899% (0.22 1.0 10.00 0.02 0.02) = 0.190% T HG13 ILE 95 - HE3 LYS+ 60 4.167% * 0.1008% (0.12 1.0 10.00 0.02 0.02) = 0.101% QG2 ILE 38 - HD3 ARG+ 88 4.167% * 0.0710% (0.83 1.0 1.00 0.02 0.37) = 0.071% T HG3 ARG+ 48 - HE3 LYS+ 60 4.167% * 0.0591% (0.07 1.0 10.00 0.02 0.02) = 0.059% QG2 ILE 38 - HD3 ARG+ 48 4.167% * 0.0189% (0.22 1.0 1.00 0.02 0.02) = 0.019% HG13 ILE 14 - HD3 ARG+ 88 4.167% * 0.0189% (0.22 1.0 1.00 0.02 0.02) = 0.019% QG2 VAL 65 - HE3 LYS+ 60 4.167% * 0.0166% (0.20 1.0 1.00 0.02 0.02) = 0.017% QG2 ILE 38 - HE3 LYS+ 60 4.167% * 0.0160% (0.19 1.0 1.00 0.02 12.78) = 0.016% HB3 LEU 43 - HD3 ARG+ 88 4.167% * 0.0149% (0.17 1.0 1.00 0.02 0.02) = 0.015% HG12 ILE 24 - HD3 ARG+ 88 4.167% * 0.0131% (0.15 1.0 1.00 0.02 0.02) = 0.013% HG13 ILE 14 - HD3 ARG+ 48 4.167% * 0.0050% (0.06 1.0 1.00 0.02 6.85) = 0.005% HG13 ILE 14 - HE3 LYS+ 60 4.167% * 0.0043% (0.05 1.0 1.00 0.02 9.23) = 0.004% HB3 LEU 43 - HD3 ARG+ 48 4.167% * 0.0040% (0.05 1.0 1.00 0.02 7.06) = 0.004% HG12 ILE 24 - HD3 ARG+ 48 4.167% * 0.0035% (0.04 1.0 1.00 0.02 0.02) = 0.003% HB3 LEU 43 - HE3 LYS+ 60 4.167% * 0.0034% (0.04 1.0 1.00 0.02 0.02) = 0.003% HG12 ILE 24 - HE3 LYS+ 60 4.167% * 0.0030% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 3055 (2.08, 3.23, 43.49 ppm): 6 chemical-shift based assignments, quality = 0.96, support = 4.38, residual support = 86.3: O QB ARG+ 88 - HD2 ARG+ 88 16.667% * 94.2535% (0.98 10.0 4.59 91.54) = 94.253% kept HG2 MET 54 - HD2 ARG+ 88 16.667% * 3.3669% (0.72 1.0 0.96 0.02) = 3.367% kept HG3 GLN 83 - HD2 ARG+ 88 16.667% * 2.1979% (0.65 1.0 0.71 0.02) = 2.198% kept HB2 LYS+ 11 - HD2 ARG+ 88 16.667% * 0.0953% (0.99 1.0 0.02 0.02) = 0.095% HB2 GLU- 16 - HD2 ARG+ 88 16.667% * 0.0468% (0.49 1.0 0.02 0.02) = 0.047% HB3 PRO 37 - HD2 ARG+ 88 16.667% * 0.0395% (0.41 1.0 0.02 0.02) = 0.040% Peak 3056 (1.80, 3.23, 43.49 ppm): 9 chemical-shift based assignments, quality = 0.635, support = 0.776, residual support = 1.05: T HG2 ARG+ 53 - HD2 ARG+ 88 11.111% * 76.9037% (0.61 10.00 0.94 1.26) = 76.904% kept T HG LEU 82 - HD2 ARG+ 88 11.111% * 14.3511% (0.80 10.00 0.13 0.02) = 14.351% kept HG3 ARG+ 53 - HD2 ARG+ 88 11.111% * 5.4711% (0.61 1.00 0.67 1.26) = 5.471% kept T HG LEU 42 - HD2 ARG+ 88 11.111% * 1.7535% (0.65 10.00 0.02 0.83) = 1.753% kept HB3 LYS+ 17 - HD2 ARG+ 88 11.111% * 1.0650% (0.96 1.00 0.08 0.02) = 1.065% kept HD2 LYS+ 55 - HD2 ARG+ 88 11.111% * 0.2071% (0.76 1.00 0.02 0.02) = 0.207% HB3 LYS+ 20 - HD2 ARG+ 88 11.111% * 0.1535% (0.56 1.00 0.02 0.02) = 0.153% HB ILE 95 - HD2 ARG+ 88 11.111% * 0.0475% (0.17 1.00 0.02 0.02) = 0.047% HB ILE 24 - HD2 ARG+ 88 11.111% * 0.0475% (0.17 1.00 0.02 0.02) = 0.047% Peak 3057 (1.37, 3.23, 43.49 ppm): 5 chemical-shift based assignments, quality = 0.985, support = 4.37, residual support = 90.6: O T HG2 ARG+ 88 - HD2 ARG+ 88 20.000% * 98.9675% (1.00 10.0 10.00 4.42 91.54) = 98.968% kept QG LYS+ 55 - HD2 ARG+ 88 20.000% * 0.8830% (0.69 1.0 1.00 0.26 0.02) = 0.883% HG2 LYS+ 17 - HD2 ARG+ 88 20.000% * 0.0983% (0.99 1.0 1.00 0.02 0.02) = 0.098% QB ALA 2 - HD2 ARG+ 88 20.000% * 0.0338% (0.34 1.0 1.00 0.02 0.02) = 0.034% QB ALA 34 - HD2 ARG+ 88 20.000% * 0.0174% (0.17 1.0 1.00 0.02 0.02) = 0.017% Peak 3058 (1.13, 3.23, 43.49 ppm): 7 chemical-shift based assignments, quality = 0.932, support = 4.15, residual support = 88.9: O T HG3 ARG+ 88 - HD2 ARG+ 88 14.286% * 97.0734% (0.94 10.0 10.00 4.27 91.54) = 97.073% kept QG2 VAL 65 - HD2 ARG+ 88 14.286% * 2.0906% (0.76 1.0 1.00 0.53 0.02) = 2.091% kept T HG13 ILE 95 - HD2 ARG+ 88 14.286% * 0.6638% (0.65 1.0 10.00 0.02 0.02) = 0.664% QG2 ILE 38 - HD2 ARG+ 88 14.286% * 0.0947% (0.92 1.0 1.00 0.02 0.37) = 0.095% HG13 ILE 14 - HD2 ARG+ 88 14.286% * 0.0317% (0.31 1.0 1.00 0.02 0.02) = 0.032% HG12 ILE 24 - HD2 ARG+ 88 14.286% * 0.0228% (0.22 1.0 1.00 0.02 0.02) = 0.023% HG3 ARG+ 48 - HD2 ARG+ 88 14.286% * 0.0228% (0.22 1.0 1.00 0.02 0.02) = 0.023% Peak 3059 (4.79, 2.97, 43.49 ppm): 9 chemical-shift based assignments, quality = 0.582, support = 0.986, residual support = 0.986: HA TYR 81 - HD3 ARG+ 88 11.111% * 49.7391% (0.65 1.32 1.25) = 49.739% kept HA THR 64 - HD3 ARG+ 88 11.111% * 31.7484% (0.72 0.75 0.91) = 31.748% kept HA TYR 81 - HD3 ARG+ 48 11.111% * 7.0542% (0.17 0.70 0.39) = 7.054% kept HA TYR 81 - HE3 LYS+ 60 11.111% * 4.5684% (0.15 0.54 0.93) = 4.568% kept HA THR 64 - HE3 LYS+ 60 11.111% * 3.3132% (0.16 0.35 0.02) = 3.313% kept HA TRP 50 - HD3 ARG+ 88 11.111% * 2.4214% (0.17 0.24 0.12) = 2.421% kept HA THR 64 - HD3 ARG+ 48 11.111% * 1.0549% (0.19 0.09 0.22) = 1.055% kept HA TRP 50 - HD3 ARG+ 48 11.111% * 0.0544% (0.05 0.02 4.85) = 0.054% HA TRP 50 - HE3 LYS+ 60 11.111% * 0.0460% (0.04 0.02 0.02) = 0.046% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 3060 (7.37, 2.97, 43.49 ppm): 3 chemical-shift based assignments, quality = 0.9, support = 0.839, residual support = 2.92: HN ASN 69 - HD3 ARG+ 88 33.333% * 91.3128% (0.96 0.89 3.18) = 91.313% kept HN ASN 69 - HD3 ARG+ 48 33.333% * 8.2256% (0.26 0.30 0.14) = 8.226% kept HN ASN 69 - HE3 LYS+ 60 33.333% * 0.4616% (0.22 0.02 0.02) = 0.462% Peak 3061 (3.34, 3.23, 43.49 ppm): 1 chemical-shift based assignment, quality = 0.833, support = 0.02, residual support = 0.121: HB3 TRP 50 - HD2 ARG+ 88 100.000% *100.0000% (0.83 0.02 0.12) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 3062 (4.41, 3.23, 43.49 ppm): 3 chemical-shift based assignments, quality = 0.522, support = 0.579, residual support = 0.409: HA ASN 29 - HD2 ARG+ 88 33.333% * 82.7832% (0.56 0.67 0.49) = 82.783% kept HA1 GLY 98 - HD2 ARG+ 88 33.333% * 10.0765% (0.34 0.14 0.02) = 10.076% kept HA TRP 67 - HD2 ARG+ 88 33.333% * 7.1403% (0.28 0.12 0.02) = 7.140% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 3063 (4.79, 3.23, 43.49 ppm): 2 chemical-shift based assignments, quality = 0.761, support = 0.815, residual support = 1.02: HA THR 64 - HD2 ARG+ 88 50.000% * 67.6381% (0.96 0.73 0.91) = 67.638% kept HA TYR 81 - HD2 ARG+ 88 50.000% * 32.3619% (0.34 0.99 1.25) = 32.362% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 3064 (7.36, 3.23, 43.49 ppm): 2 chemical-shift based assignments, quality = 0.941, support = 1.72, residual support = 3.1: HN ASN 69 - HD2 ARG+ 88 50.000% * 96.8129% (0.96 1.77 3.18) = 96.813% kept HD21 ASN 29 - HD2 ARG+ 88 50.000% * 3.1871% (0.28 0.20 0.49) = 3.187% kept Peak 3065 (8.10, 3.23, 43.49 ppm): 4 chemical-shift based assignments, quality = 0.491, support = 3.11, residual support = 8.76: HN ASP- 89 - HD2 ARG+ 88 25.000% * 76.8772% (0.49 3.83 11.31) = 76.877% kept HN LEU 22 - HD2 ARG+ 88 25.000% * 18.6176% (0.61 0.74 0.32) = 18.618% kept HN MET 54 - HD2 ARG+ 88 25.000% * 3.8177% (0.14 0.68 0.02) = 3.818% kept HN ARG+ 48 - HD2 ARG+ 88 25.000% * 0.6875% (0.83 0.02 0.02) = 0.688% Peak 3066 (4.84, 3.03, 59.30 ppm): 1 chemical-shift based assignment, quality = 0.372, support = 0.121, residual support = 0.121: HA TRP 50 - HA ARG+ 88 100.000% *100.0000% (0.37 0.12 0.12) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 3067 (8.10, 3.03, 59.30 ppm): 4 chemical-shift based assignments, quality = 0.487, support = 3.38, residual support = 10.8: O HN ASP- 89 - HA ARG+ 88 25.000% * 95.2304% (0.48 10.0 3.51 11.31) = 95.230% kept HN LEU 22 - HA ARG+ 88 25.000% * 4.5800% (0.60 1.0 0.77 0.32) = 4.580% kept HN ARG+ 48 - HA ARG+ 88 25.000% * 0.1631% (0.83 1.0 0.02 0.02) = 0.163% HN MET 54 - HA ARG+ 88 25.000% * 0.0265% (0.13 1.0 0.02 0.02) = 0.026% Peak 3068 (8.10, 2.96, 40.66 ppm): 3 chemical-shift based assignments, quality = 0.454, support = 3.86, residual support = 25.1: O HN ASP- 89 - HB2 ASP- 89 33.333% * 84.6173% (0.43 10.0 4.15 29.13) = 84.617% kept HN LEU 22 - HB2 ASP- 89 33.333% * 13.6518% (0.55 1.0 2.56 3.22) = 13.652% kept HN ARG+ 48 - HB2 ASP- 89 33.333% * 1.7309% (0.79 1.0 0.22 2.79) = 1.731% kept Peak 3069 (9.28, 2.96, 40.66 ppm): 4 chemical-shift based assignments, quality = 0.552, support = 2.56, residual support = 6.5: HN ARG+ 90 - HB2 ASP- 89 25.000% * 31.6665% (0.24 4.72 15.74) = 31.667% kept HN LEU 43 - HB2 ASP- 89 25.000% * 31.3828% (0.95 1.19 1.18) = 31.383% kept HN LYS+ 55 - HB2 ASP- 89 25.000% * 29.3673% (0.47 2.24 3.73) = 29.367% kept HN GLN 83 - HB2 ASP- 89 25.000% * 7.5833% (0.55 0.50 0.70) = 7.583% kept Peak 3070 (8.10, 2.40, 40.66 ppm): 3 chemical-shift based assignments, quality = 0.238, support = 3.82, residual support = 26.0: O HN ASP- 89 - HB3 ASP- 89 33.333% * 87.9148% (0.21 10.0 4.20 29.13) = 87.915% kept HN LEU 22 - HB3 ASP- 89 33.333% * 8.7482% (0.30 1.0 1.44 3.22) = 8.748% kept HN ARG+ 48 - HB3 ASP- 89 33.333% * 3.3370% (0.69 1.0 0.24 2.79) = 3.337% kept Peak 3071 (9.28, 2.40, 40.66 ppm): 4 chemical-shift based assignments, quality = 0.573, support = 2.47, residual support = 6.26: HN LEU 43 - HB3 ASP- 89 25.000% * 34.9265% (0.95 1.37 1.18) = 34.927% kept HN ARG+ 90 - HB3 ASP- 89 25.000% * 31.7189% (0.24 4.88 15.74) = 31.719% kept HN LYS+ 55 - HB3 ASP- 89 25.000% * 20.6543% (0.47 1.63 3.73) = 20.654% kept HN GLN 83 - HB3 ASP- 89 25.000% * 12.7003% (0.55 0.86 0.70) = 12.700% kept Peak 3072 (0.98, 5.26, 55.38 ppm): 16 chemical-shift based assignments, quality = 0.578, support = 1.65, residual support = 2.39: T QG1 VAL 40 - HA ARG+ 90 6.250% * 43.1328% (0.77 10.00 1.62 2.86) = 43.133% kept T QG1 VAL 40 - HA PHE 62 6.250% * 20.4628% (0.30 10.00 2.34 2.50) = 20.463% kept T QD1 ILE 38 - HA ARG+ 90 6.250% * 11.8691% (0.59 10.00 0.59 1.48) = 11.869% kept T QD1 ILE 38 - HA PHE 62 6.250% * 10.0596% (0.23 10.00 1.30 0.98) = 10.060% kept QG2 THR 64 - HA ARG+ 90 6.250% * 6.9080% (0.95 1.00 2.12 4.33) = 6.908% kept QG2 THR 64 - HA PHE 62 6.250% * 3.8020% (0.36 1.00 3.04 2.01) = 3.802% kept QG2 ILE 85 - HA ARG+ 90 6.250% * 1.3742% (0.93 1.00 0.43 0.02) = 1.374% kept HG3 LYS+ 56 - HA ARG+ 90 6.250% * 0.9872% (0.33 1.00 0.87 7.09) = 0.987% HG LEU 76 - HA ARG+ 90 6.250% * 0.8683% (0.77 1.00 0.33 0.02) = 0.868% QD2 LEU 82 - HA ARG+ 90 6.250% * 0.2449% (0.21 1.00 0.33 0.02) = 0.245% QG2 ILE 14 - HA PHE 62 6.250% * 0.2067% (0.14 1.00 0.43 0.17) = 0.207% QG2 ILE 14 - HA ARG+ 90 6.250% * 0.0249% (0.36 1.00 0.02 0.02) = 0.025% QG2 ILE 85 - HA PHE 62 6.250% * 0.0247% (0.36 1.00 0.02 0.02) = 0.025% HG LEU 76 - HA PHE 62 6.250% * 0.0205% (0.30 1.00 0.02 0.02) = 0.020% HG3 LYS+ 56 - HA PHE 62 6.250% * 0.0087% (0.13 1.00 0.02 0.85) = 0.009% QD2 LEU 82 - HA PHE 62 6.250% * 0.0057% (0.08 1.00 0.02 0.02) = 0.006% Peak 3073 (0.98, 2.52, 30.72 ppm): 10 chemical-shift based assignments, quality = 0.646, support = 2.04, residual support = 4.64: T QG2 THR 64 - HB2 ARG+ 90 10.000% * 43.5377% (0.78 10.00 2.49 4.33) = 43.538% kept T HG3 LYS+ 56 - HB2 ARG+ 90 10.000% * 28.4579% (0.59 10.00 1.73 7.09) = 28.458% kept T QG1 VAL 40 - HB2 ARG+ 90 10.000% * 25.3777% (0.52 10.00 1.77 2.86) = 25.378% kept QD1 ILE 38 - HB2 ARG+ 90 10.000% * 1.2294% (0.33 1.00 1.33 1.48) = 1.229% kept QG2 ILE 85 - HB2 ARG+ 90 10.000% * 0.6494% (0.96 1.00 0.24 0.02) = 0.649% HG LEU 76 - HB2 ARG+ 90 10.000% * 0.4417% (0.52 1.00 0.31 0.02) = 0.442% T QD2 LEU 82 - HB2 ARG+ 90 10.000% * 0.2438% (0.44 10.00 0.02 0.02) = 0.244% QG2 ILE 14 - HB2 ARG+ 90 10.000% * 0.0352% (0.63 1.00 0.02 0.02) = 0.035% QG2 VAL 52 - HB2 ARG+ 90 10.000% * 0.0151% (0.27 1.00 0.02 0.02) = 0.015% HB3 ARG+ 48 - HB2 ARG+ 90 10.000% * 0.0121% (0.22 1.00 0.02 3.03) = 0.012% Peak 3074 (2.52, 1.59, 26.01 ppm): 5 chemical-shift based assignments, quality = 0.989, support = 6.09, residual support = 88.6: O HB2 ARG+ 90 - QG ARG+ 90 20.000% * 99.0882% (1.00 10.0 6.14 89.45) = 99.088% kept HG2 GLU- 68 - QG ARG+ 90 20.000% * 0.7516% (0.45 1.0 0.34 1.41) = 0.752% QB PHE 62 - QG ARG+ 90 20.000% * 0.0889% (0.89 1.0 0.02 0.68) = 0.089% HB3 ASN 75 - QG ARG+ 90 20.000% * 0.0407% (0.41 1.0 0.02 0.41) = 0.041% HB3 ASP- 41 - QG ARG+ 90 20.000% * 0.0306% (0.31 1.0 0.02 0.02) = 0.031% Peak 3075 (3.42, 1.59, 26.01 ppm): 5 chemical-shift based assignments, quality = 0.985, support = 4.57, residual support = 88.0: O T HD2 ARG+ 90 - QG ARG+ 90 20.000% * 98.4108% (1.00 10.0 10.00 4.64 89.45) = 98.411% kept T QD ARG+ 53 - QG ARG+ 90 20.000% * 1.4399% (0.34 1.0 10.00 0.09 0.02) = 1.440% kept HA ILE 24 - QG ARG+ 90 20.000% * 0.0856% (0.87 1.0 1.00 0.02 0.12) = 0.086% HB2 TRP 50 - QG ARG+ 90 20.000% * 0.0442% (0.45 1.0 1.00 0.02 0.02) = 0.044% HB2 TRP 67 - QG ARG+ 90 20.000% * 0.0195% (0.20 1.0 1.00 0.02 0.88) = 0.020% Peak 3076 (3.17, 1.59, 26.01 ppm): 6 chemical-shift based assignments, quality = 0.666, support = 3.42, residual support = 84.5: O HD3 ARG+ 90 - QG ARG+ 90 16.667% * 94.3299% (0.69 10.0 3.56 89.45) = 94.330% kept HD2 ARG+ 48 - QG ARG+ 90 16.667% * 3.0338% (0.31 1.0 1.43 3.03) = 3.034% kept HB3 TYR 86 - QG ARG+ 90 16.667% * 2.4623% (0.41 1.0 0.87 0.58) = 2.462% kept QB HIS 99 - QG ARG+ 90 16.667% * 0.0833% (0.61 1.0 0.02 0.02) = 0.083% HB3 SER 18 - QG ARG+ 90 16.667% * 0.0565% (0.41 1.0 0.02 0.02) = 0.056% HB2 PHE 13 - QG ARG+ 90 16.667% * 0.0342% (0.25 1.0 0.02 1.49) = 0.034% Peak 3077 (3.18, 3.42, 43.81 ppm): 12 chemical-shift based assignments, quality = 0.879, support = 2.93, residual support = 88.5: O HD3 ARG+ 90 - HD2 ARG+ 90 8.333% * 98.9425% (0.89 10.0 2.96 89.45) = 98.942% kept HB3 TYR 86 - HD2 ARG+ 90 8.333% * 0.8923% (0.22 1.0 0.73 0.58) = 0.892% HB3 SER 18 - HD2 ARG+ 90 8.333% * 0.0714% (0.64 1.0 0.02 0.02) = 0.071% QB HIS 99 - HD2 ARG+ 90 8.333% * 0.0414% (0.37 1.0 0.02 0.02) = 0.041% HB2 ASN 69 - HD2 ARG+ 90 8.333% * 0.0170% (0.15 1.0 0.02 2.76) = 0.017% HD2 ARG+ 48 - HD2 ARG+ 90 8.333% * 0.0170% (0.15 1.0 0.02 3.03) = 0.017% HD3 ARG+ 90 - QD ARG+ 53 8.333% * 0.0068% (0.06 1.0 0.02 0.02) = 0.007% HB3 SER 18 - QD ARG+ 53 8.333% * 0.0049% (0.04 1.0 0.02 0.02) = 0.005% QB HIS 99 - QD ARG+ 53 8.333% * 0.0028% (0.03 1.0 0.02 0.02) = 0.003% HB3 TYR 86 - QD ARG+ 53 8.333% * 0.0017% (0.02 1.0 0.02 0.02) = 0.002% HB2 ASN 69 - QD ARG+ 53 8.333% * 0.0012% (0.01 1.0 0.02 0.02) = 0.001% HD2 ARG+ 48 - QD ARG+ 53 8.333% * 0.0012% (0.01 1.0 0.02 0.85) = 0.001% Peak 3079 (1.84, 3.42, 43.81 ppm): 18 chemical-shift based assignments, quality = 0.976, support = 4.96, residual support = 88.3: O HB3 ARG+ 90 - HD2 ARG+ 90 5.556% * 98.6929% (0.99 10.0 1.00 5.03 89.45) = 98.693% kept T HD3 PRO 25 - HD2 ARG+ 90 5.556% * 0.8262% (0.83 1.0 10.00 0.02 0.02) = 0.826% QE MET 10 - HD2 ARG+ 90 5.556% * 0.0980% (0.98 1.0 1.00 0.02 0.02) = 0.098% HG3 PRO 33 - HD2 ARG+ 90 5.556% * 0.0756% (0.76 1.0 1.00 0.02 0.02) = 0.076% T HD3 PRO 25 - QD ARG+ 53 5.556% * 0.0564% (0.06 1.0 10.00 0.02 0.02) = 0.056% HB3 PRO 33 - HD2 ARG+ 90 5.556% * 0.0560% (0.56 1.0 1.00 0.02 0.02) = 0.056% HB ILE 24 - HD2 ARG+ 90 5.556% * 0.0520% (0.52 1.0 1.00 0.02 0.12) = 0.052% HB3 LYS+ 11 - HD2 ARG+ 90 5.556% * 0.0481% (0.48 1.0 1.00 0.02 0.02) = 0.048% QB MET 54 - HD2 ARG+ 90 5.556% * 0.0337% (0.34 1.0 1.00 0.02 0.10) = 0.034% QB LYS+ 72 - HD2 ARG+ 90 5.556% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB3 ARG+ 90 - QD ARG+ 53 5.556% * 0.0067% (0.07 1.0 1.00 0.02 0.02) = 0.007% QE MET 10 - QD ARG+ 53 5.556% * 0.0067% (0.07 1.0 1.00 0.02 0.02) = 0.007% HG3 PRO 33 - QD ARG+ 53 5.556% * 0.0052% (0.05 1.0 1.00 0.02 0.57) = 0.005% HB3 PRO 33 - QD ARG+ 53 5.556% * 0.0038% (0.04 1.0 1.00 0.02 0.57) = 0.004% HB ILE 24 - QD ARG+ 53 5.556% * 0.0036% (0.04 1.0 1.00 0.02 0.22) = 0.004% HB3 LYS+ 11 - QD ARG+ 53 5.556% * 0.0033% (0.03 1.0 1.00 0.02 0.02) = 0.003% QB MET 54 - QD ARG+ 53 5.556% * 0.0023% (0.02 1.0 1.00 0.02 19.87) = 0.002% QB LYS+ 72 - QD ARG+ 53 5.556% * 0.0019% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 3080 (1.58, 3.42, 43.81 ppm): 10 chemical-shift based assignments, quality = 0.886, support = 4.63, residual support = 89.2: O T QG ARG+ 90 - HD2 ARG+ 90 10.000% * 99.6793% (0.89 10.0 10.00 4.64 89.45) = 99.679% kept HG12 ILE 85 - HD2 ARG+ 90 10.000% * 0.0849% (0.76 1.0 1.00 0.02 0.02) = 0.085% T QG ARG+ 90 - QD ARG+ 53 10.000% * 0.0681% (0.06 1.0 10.00 0.02 0.02) = 0.068% QG LYS+ 80 - HD2 ARG+ 90 10.000% * 0.0674% (0.60 1.0 1.00 0.02 0.02) = 0.067% HG2 LYS+ 72 - HD2 ARG+ 90 10.000% * 0.0498% (0.44 1.0 1.00 0.02 0.02) = 0.050% QB LEU 26 - HD2 ARG+ 90 10.000% * 0.0343% (0.31 1.0 1.00 0.02 0.02) = 0.034% HG12 ILE 85 - QD ARG+ 53 10.000% * 0.0058% (0.05 1.0 1.00 0.02 0.02) = 0.006% QG LYS+ 80 - QD ARG+ 53 10.000% * 0.0046% (0.04 1.0 1.00 0.02 0.02) = 0.005% HG2 LYS+ 72 - QD ARG+ 53 10.000% * 0.0034% (0.03 1.0 1.00 0.02 0.02) = 0.003% QB LEU 26 - QD ARG+ 53 10.000% * 0.0023% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 3082 (8.89, 2.52, 30.72 ppm): 4 chemical-shift based assignments, quality = 0.74, support = 1.07, residual support = 1.16: HN LEU 63 - HB2 ARG+ 90 25.000% * 74.3595% (0.85 1.18 1.33) = 74.360% kept HN PHE 62 - HB2 ARG+ 90 25.000% * 24.5439% (0.44 0.76 0.68) = 24.544% kept HN GLU- 16 - HB2 ARG+ 90 25.000% * 0.6495% (0.44 0.02 0.02) = 0.649% HN GLY 79 - HB2 ARG+ 90 25.000% * 0.4471% (0.30 0.02 0.02) = 0.447% Peak 3083 (9.28, 1.59, 26.01 ppm): 4 chemical-shift based assignments, quality = 0.553, support = 4.03, residual support = 47.5: HN ARG+ 90 - QG ARG+ 90 25.000% * 52.2766% (0.37 6.48 89.45) = 52.277% kept HN LYS+ 55 - QG ARG+ 90 25.000% * 25.2425% (0.65 1.82 2.84) = 25.243% kept HN LEU 43 - QG ARG+ 90 25.000% * 18.3435% (0.89 0.95 0.18) = 18.343% kept HN GLN 83 - QG ARG+ 90 25.000% * 4.1374% (0.72 0.27 0.02) = 4.137% kept Peak 3084 (7.00, 3.42, 43.81 ppm): 2 chemical-shift based assignments, quality = 0.482, support = 3.62, residual support = 89.4: O HE ARG+ 90 - HD2 ARG+ 90 50.000% * 99.9932% (0.48 10.0 3.62 89.45) = 99.993% kept HE ARG+ 90 - QD ARG+ 53 50.000% * 0.0068% (0.03 1.0 0.02 0.02) = 0.007% Peak 3085 (4.80, 3.93, 29.24 ppm): 3 chemical-shift based assignments, quality = 0.629, support = 0.663, residual support = 0.656: HA TYR 81 - HB THR 91 33.333% * 46.2391% (0.83 0.61 0.56) = 46.239% kept HA THR 64 - HB THR 91 33.333% * 35.9685% (0.52 0.75 1.02) = 35.968% kept HA TRP 50 - HB THR 91 33.333% * 17.7925% (0.31 0.63 0.15) = 17.792% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 3086 (5.37, 3.93, 29.24 ppm): 2 chemical-shift based assignments, quality = 0.896, support = 2.99, residual support = 25.4: O HA THR 91 - HB THR 91 50.000% * 98.2846% (0.89 10.0 3.03 25.71) = 98.285% kept HA LEU 42 - HB THR 91 50.000% * 1.7154% (0.94 1.0 0.33 5.99) = 1.715% kept Peak 3087 (2.60, 3.93, 29.24 ppm): 6 chemical-shift based assignments, quality = 0.908, support = 0.555, residual support = 0.292: HD3 PRO 35 - HB THR 91 16.667% * 37.3918% (0.98 0.71 0.47) = 37.392% kept HB3 ASN 100 - HB THR 91 16.667% * 25.1181% (0.94 0.50 0.24) = 25.118% kept HG3 MET 10 - HB THR 91 16.667% * 24.0662% (0.92 0.49 0.22) = 24.066% kept HG2 MET 1 - HB THR 91 16.667% * 12.9176% (0.65 0.37 0.02) = 12.918% kept HB3 PHE 13 - HB THR 91 16.667% * 0.2675% (0.25 0.02 0.02) = 0.268% HA VAL 71 - HB THR 91 16.667% * 0.2389% (0.22 0.02 0.02) = 0.239% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 3088 (1.01, 3.93, 29.24 ppm): 5 chemical-shift based assignments, quality = 0.854, support = 2.6, residual support = 23.5: O T QG2 THR 91 - HB THR 91 20.000% * 91.3992% (0.89 10.0 10.00 2.71 25.71) = 91.399% kept QD1 ILE 38 - HB THR 91 20.000% * 4.8491% (0.56 1.0 1.00 1.68 0.24) = 4.849% kept QG1 VAL 40 - HB THR 91 20.000% * 1.6397% (0.37 1.0 1.00 0.86 0.67) = 1.640% kept QG2 THR 64 - HB THR 91 20.000% * 1.4879% (0.17 1.0 1.00 1.67 1.02) = 1.488% kept HG LEU 76 - HB THR 91 20.000% * 0.6241% (0.37 1.0 1.00 0.33 0.02) = 0.624% Peak 3089 (1.49, 3.93, 29.24 ppm): 7 chemical-shift based assignments, quality = 0.44, support = 0.559, residual support = 0.846: HG3 PRO 25 - HB THR 91 14.286% * 73.7993% (0.31 0.75 1.14) = 73.799% kept HG2 ARG+ 48 - HB THR 91 14.286% * 6.1534% (0.96 0.02 0.02) = 6.153% kept HG12 ILE 95 - HB THR 91 14.286% * 6.1534% (0.96 0.02 0.02) = 6.153% kept HG3 LYS+ 17 - HB THR 91 14.286% * 5.8859% (0.92 0.02 0.02) = 5.886% kept HB3 PHE 84 - HB THR 91 14.286% * 4.1248% (0.65 0.02 0.02) = 4.125% kept HB3 GLU- 23 - HB THR 91 14.286% * 2.6213% (0.41 0.02 0.12) = 2.621% kept HG3 LYS+ 72 - HB THR 91 14.286% * 1.2618% (0.20 0.02 0.02) = 1.262% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 3090 (1.63, 1.02, 63.23 ppm): 5 chemical-shift based assignments, quality = 0.446, support = 2.46, residual support = 6.71: T HB2 LYS+ 56 - QG2 THR 91 20.000% * 75.8543% (0.34 10.00 2.48 6.39) = 75.854% kept HG LEU 43 - QG2 THR 91 20.000% * 22.5650% (0.80 1.00 2.53 8.25) = 22.565% kept HB VAL 94 - QG2 THR 91 20.000% * 1.0768% (0.69 1.00 0.14 0.02) = 1.077% kept QB LEU 26 - QG2 THR 91 20.000% * 0.3600% (0.15 1.00 0.21 0.02) = 0.360% HB ILE 96 - QG2 THR 91 20.000% * 0.1439% (0.65 1.00 0.02 0.02) = 0.144% Peak 3091 (1.53, 1.02, 63.23 ppm): 2 chemical-shift based assignments, quality = 0.583, support = 0.718, residual support = 1.09: HG3 PRO 25 - QG2 THR 91 50.000% * 95.5869% (0.56 0.75 1.14) = 95.587% kept HG2 GLU- 23 - QG2 THR 91 50.000% * 4.4131% (0.98 0.02 0.12) = 4.413% kept Peak 3092 (2.60, 1.02, 63.23 ppm): 6 chemical-shift based assignments, quality = 0.908, support = 0.567, residual support = 0.292: HD3 PRO 35 - QG2 THR 91 16.667% * 37.2991% (0.98 0.72 0.47) = 37.299% kept HB3 ASN 100 - QG2 THR 91 16.667% * 25.1599% (0.94 0.51 0.24) = 25.160% kept HG3 MET 10 - QG2 THR 91 16.667% * 24.1063% (0.92 0.50 0.22) = 24.106% kept HG2 MET 1 - QG2 THR 91 16.667% * 12.9391% (0.65 0.38 0.02) = 12.939% kept HB3 PHE 13 - QG2 THR 91 16.667% * 0.2619% (0.25 0.02 0.02) = 0.262% HA VAL 71 - QG2 THR 91 16.667% * 0.2338% (0.22 0.02 0.02) = 0.234% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 3093 (3.92, 1.02, 63.23 ppm): 4 chemical-shift based assignments, quality = 0.961, support = 2.71, residual support = 25.7: O T HB THR 91 - QG2 THR 91 25.000% * 99.7792% (0.96 10.0 10.00 2.71 25.71) = 99.779% kept HA1 GLY 27 - QG2 THR 91 25.000% * 0.1013% (0.98 1.0 1.00 0.02 0.02) = 0.101% HA2 GLY 5 - QG2 THR 91 25.000% * 0.1013% (0.98 1.0 1.00 0.02 0.02) = 0.101% HB2 SER 21 - QG2 THR 91 25.000% * 0.0181% (0.17 1.0 1.00 0.02 0.12) = 0.018% Peak 3094 (4.80, 1.02, 63.23 ppm): 3 chemical-shift based assignments, quality = 0.617, support = 1.02, residual support = 0.719: HA THR 64 - QG2 THR 91 33.333% * 46.2822% (0.52 1.35 1.02) = 46.282% kept HA TYR 81 - QG2 THR 91 33.333% * 39.7515% (0.83 0.73 0.56) = 39.751% kept HA TRP 50 - QG2 THR 91 33.333% * 13.9663% (0.31 0.70 0.15) = 13.966% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 3095 (5.37, 1.02, 63.23 ppm): 2 chemical-shift based assignments, quality = 0.903, support = 3.32, residual support = 22.5: O T HA THR 91 - QG2 THR 91 50.000% * 83.9291% (0.89 10.0 10.00 3.26 25.71) = 83.929% kept HA LEU 42 - QG2 THR 91 50.000% * 16.0709% (0.94 1.0 1.00 3.63 5.99) = 16.071% kept Peak 3096 (0.76, 1.02, 63.23 ppm): 3 chemical-shift based assignments, quality = 0.691, support = 2.46, residual support = 7.74: QD1 LEU 43 - QG2 THR 91 33.333% * 93.8435% (0.72 2.59 8.25) = 93.844% kept QG1 VAL 61 - QG2 THR 91 33.333% * 5.1691% (0.22 0.47 0.02) = 5.169% kept QG2 VAL 71 - QG2 THR 91 33.333% * 0.9874% (0.99 0.02 0.02) = 0.987% Peak 3097 (8.49, 3.93, 29.24 ppm): 2 chemical-shift based assignments, quality = 0.232, support = 3.4, residual support = 22.6: O HN THR 91 - HB THR 91 50.000% * 87.8334% (0.17 10.0 3.76 25.71) = 87.833% kept HN SER 46 - HB THR 91 50.000% * 12.1666% (0.65 1.0 0.75 0.11) = 12.167% kept Peak 3098 (6.69, 1.02, 63.23 ppm): 1 chemical-shift based assignment, quality = 0.565, support = 0.237, residual support = 0.237: HD22 ASN 75 - QG2 THR 91 100.000% *100.0000% (0.56 0.24 0.24) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 3099 (6.81, 1.02, 63.23 ppm): 1 chemical-shift based assignment, quality = 0.374, support = 0.0778, residual support = 0.02: HE22 GLN 83 - QG2 THR 91 100.000% *100.0000% (0.37 0.08 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 3100 (8.50, 1.02, 63.23 ppm): 1 chemical-shift based assignment, quality = 0.41, support = 0.02, residual support = 0.108: HN SER 46 - QG2 THR 91 100.000% *100.0000% (0.41 0.02 0.11) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 3101 (8.94, 1.02, 63.23 ppm): 3 chemical-shift based assignments, quality = 0.764, support = 1.58, residual support = 2.87: HN ASP- 41 - QG2 THR 91 33.333% * 63.7944% (0.83 1.75 4.11) = 63.794% kept HN VAL 65 - QG2 THR 91 33.333% * 36.0332% (0.65 1.28 0.68) = 36.033% kept HN GLU- 16 - QG2 THR 91 33.333% * 0.1724% (0.20 0.02 0.02) = 0.172% Peak 3102 (9.29, 1.02, 63.23 ppm): 3 chemical-shift based assignments, quality = 0.739, support = 1.77, residual support = 6.53: HN LEU 43 - QG2 THR 91 33.333% * 74.5624% (0.92 1.73 8.25) = 74.562% kept HN LYS+ 55 - QG2 THR 91 33.333% * 20.7373% (0.20 2.24 1.80) = 20.737% kept HN GLN 83 - QG2 THR 91 33.333% * 4.7004% (0.25 0.40 0.02) = 4.700% kept Peak 3103 (9.56, 1.02, 63.23 ppm): 2 chemical-shift based assignments, quality = 0.657, support = 2.33, residual support = 5.14: HN LEU 42 - QG2 THR 91 50.000% * 70.6369% (0.65 2.84 5.99) = 70.637% kept HN TYR 93 - QG2 THR 91 50.000% * 29.3631% (0.69 1.11 3.09) = 29.363% kept Peak 3104 (5.45, 5.87, 56.17 ppm): 2 chemical-shift based assignments, quality = 0.82, support = 0.539, residual support = 0.269: HA MET 54 - HA PHE 92 50.000% * 60.0188% (0.76 0.66 0.33) = 60.019% kept HA THR 51 - HA PHE 92 50.000% * 39.9812% (0.91 0.36 0.18) = 39.981% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 3105 (9.59, 5.87, 56.17 ppm): 4 chemical-shift based assignments, quality = 0.464, support = 2.57, residual support = 8.84: O HN TYR 93 - HA PHE 92 25.000% * 84.7649% (0.44 10.0 2.81 9.15) = 84.765% kept HN TYR 86 - HA PHE 92 25.000% * 8.8343% (0.68 1.0 1.36 1.00) = 8.834% kept HN LEU 42 - HA PHE 92 25.000% * 5.6174% (0.48 1.0 1.22 17.70) = 5.617% kept HN ILE 85 - HA PHE 92 25.000% * 0.7834% (0.25 1.0 0.33 0.02) = 0.783% Peak 3106 (5.36, 2.81, 42.80 ppm): 2 chemical-shift based assignments, quality = 0.369, support = 3.12, residual support = 13.0: HA THR 91 - HB3 PHE 92 50.000% * 50.0858% (0.33 3.42 8.39) = 50.086% kept HA LEU 42 - HB3 PHE 92 50.000% * 49.9142% (0.40 2.83 17.70) = 49.914% kept Peak 3107 (7.16, 2.81, 42.80 ppm): 1 chemical-shift based assignment, quality = 0.516, support = 1.31, residual support = 3.52: HN PHE 32 - HB3 PHE 92 100.000% *100.0000% (0.52 1.31 3.52) = 100.000% kept Peak 3108 (9.59, 2.81, 42.80 ppm): 4 chemical-shift based assignments, quality = 0.489, support = 2.89, residual support = 9.81: HN TYR 93 - HB3 PHE 92 25.000% * 47.3730% (0.44 4.12 9.15) = 47.373% kept HN LEU 42 - HB3 PHE 92 25.000% * 29.8520% (0.48 2.39 17.70) = 29.852% kept HN TYR 86 - HB3 PHE 92 25.000% * 19.1716% (0.67 1.09 1.00) = 19.172% kept HN ILE 85 - HB3 PHE 92 25.000% * 3.6034% (0.24 0.56 0.02) = 3.603% kept Peak 3110 (5.36, 3.09, 42.80 ppm): 2 chemical-shift based assignments, quality = 0.373, support = 3.47, residual support = 13.6: HA LEU 42 - HB2 PHE 92 50.000% * 56.1715% (0.40 3.56 17.70) = 56.171% kept HA THR 91 - HB2 PHE 92 50.000% * 43.8285% (0.33 3.35 8.39) = 43.829% kept Peak 3111 (7.14, 3.09, 42.80 ppm): 1 chemical-shift based assignment, quality = 0.819, support = 0.75, residual support = 3.52: HN PHE 32 - HB2 PHE 92 100.000% *100.0000% (0.82 0.75 3.52) = 100.000% kept Peak 3112 (7.18, 5.87, 56.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3113 (9.59, 3.09, 42.80 ppm): 3 chemical-shift based assignments, quality = 0.667, support = 3.11, residual support = 12.2: HN LEU 42 - HB2 PHE 92 33.333% * 44.9269% (0.71 3.23 17.70) = 44.927% kept HN TYR 93 - HB2 PHE 92 33.333% * 44.8667% (0.67 3.42 9.15) = 44.867% kept HN TYR 86 - HB2 PHE 92 33.333% * 10.2065% (0.44 1.19 1.00) = 10.206% kept Peak 3114 (2.12, 2.77, 40.29 ppm): 9 chemical-shift based assignments, quality = 0.623, support = 1.33, residual support = 4.03: HB ILE 85 - HB3 TYR 93 11.111% * 39.6218% (0.60 1.91 7.66) = 39.622% kept QB MET 10 - HB3 TYR 93 11.111% * 28.9543% (0.86 0.98 3.06) = 28.954% kept HB3 MET 101 - HB3 TYR 93 11.111% * 11.4742% (0.64 0.52 0.02) = 11.474% kept QG GLN 8 - HB3 TYR 93 11.111% * 9.7933% (0.15 1.86 1.12) = 9.793% kept HB2 ASN 74 - HB3 TYR 93 11.111% * 9.0114% (0.52 0.50 0.02) = 9.011% kept HB2 MET 1 - HB3 TYR 93 11.111% * 0.5715% (0.83 0.02 0.02) = 0.572% HB3 PRO 37 - HB3 TYR 93 11.111% * 0.2568% (0.37 0.02 0.02) = 0.257% HB2 GLU- 16 - HB3 TYR 93 11.111% * 0.2112% (0.31 0.02 0.02) = 0.211% HG2 MET 54 - HB3 TYR 93 11.111% * 0.1056% (0.15 0.02 1.59) = 0.106% Peak 3115 (0.90, 2.77, 40.29 ppm): 4 chemical-shift based assignments, quality = 0.798, support = 1.23, residual support = 4.28: QD1 ILE 85 - HB3 TYR 93 25.000% * 47.1753% (0.86 1.48 7.66) = 47.175% kept QD2 LEU 26 - HB3 TYR 93 25.000% * 35.9928% (0.98 0.99 1.44) = 35.993% kept QD1 LEU 26 - HB3 TYR 93 25.000% * 10.2693% (0.28 1.01 1.44) = 10.269% kept QD1 ILE 95 - HB3 TYR 93 25.000% * 6.5626% (0.15 1.16 0.02) = 6.563% kept Peak 3116 (5.29, 2.77, 40.29 ppm): 4 chemical-shift based assignments, quality = 0.989, support = 3.22, residual support = 18.0: O T HA TYR 93 - HB3 TYR 93 25.000% * 99.7940% (0.99 10.0 10.00 3.22 18.01) = 99.794% kept HA VAL 52 - HB3 TYR 93 25.000% * 0.0989% (0.98 1.0 1.00 0.02 0.02) = 0.099% HA PHE 62 - HB3 TYR 93 25.000% * 0.0763% (0.76 1.0 1.00 0.02 0.02) = 0.076% HA THR 39 - HB3 TYR 93 25.000% * 0.0308% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 3117 (2.12, 2.91, 40.29 ppm): 9 chemical-shift based assignments, quality = 0.631, support = 1.91, residual support = 4.64: HB ILE 85 - HB2 TYR 93 11.111% * 50.6890% (0.60 3.03 7.66) = 50.689% kept QB MET 10 - HB2 TYR 93 11.111% * 23.9785% (0.86 1.00 3.06) = 23.978% kept HB3 MET 101 - HB2 TYR 93 11.111% * 9.5600% (0.64 0.54 0.02) = 9.560% kept HB2 ASN 74 - HB2 TYR 93 11.111% * 7.5983% (0.52 0.52 0.02) = 7.598% kept HB2 GLU- 16 - HB2 TYR 93 11.111% * 5.2999% (0.31 0.62 0.02) = 5.300% kept QG GLN 8 - HB2 TYR 93 11.111% * 2.1217% (0.15 0.50 1.12) = 2.122% kept HB2 MET 1 - HB2 TYR 93 11.111% * 0.4605% (0.83 0.02 0.02) = 0.461% HB3 PRO 37 - HB2 TYR 93 11.111% * 0.2069% (0.37 0.02 0.02) = 0.207% HG2 MET 54 - HB2 TYR 93 11.111% * 0.0851% (0.15 0.02 1.59) = 0.085% Peak 3118 (0.91, 2.91, 40.29 ppm): 3 chemical-shift based assignments, quality = 0.71, support = 2.1, residual support = 3.88: QD1 ILE 85 - HB2 TYR 93 33.333% * 39.2296% (0.60 2.68 7.66) = 39.230% kept QD2 LEU 26 - HB2 TYR 93 33.333% * 37.7321% (0.94 1.66 1.44) = 37.732% kept QD1 LEU 26 - HB2 TYR 93 33.333% * 23.0383% (0.52 1.82 1.44) = 23.038% kept Peak 3119 (0.22, 5.29, 57.81 ppm): 2 chemical-shift based assignments, quality = 0.153, support = 3.57, residual support = 22.9: QG2 VAL 94 - HA TYR 93 50.000% * 83.0757% (0.15 4.13 27.53) = 83.076% kept QD1 LEU 22 - HA TYR 93 50.000% * 16.9243% (0.15 0.84 0.23) = 16.924% kept Peak 3120 (1.63, 5.29, 57.81 ppm): 5 chemical-shift based assignments, quality = 0.698, support = 2.55, residual support = 22.7: HB VAL 94 - HA TYR 93 20.000% * 78.5921% (0.68 3.06 27.53) = 78.592% kept HG LEU 43 - HA TYR 93 20.000% * 20.5541% (0.79 0.69 4.95) = 20.554% kept HB ILE 96 - HA TYR 93 20.000% * 0.4836% (0.64 0.02 0.02) = 0.484% HB2 LYS+ 56 - HA TYR 93 20.000% * 0.2550% (0.34 0.02 0.02) = 0.255% QB LEU 26 - HA TYR 93 20.000% * 0.1153% (0.15 0.02 1.44) = 0.115% Peak 3121 (6.64, 2.77, 40.29 ppm): 1 chemical-shift based assignment, quality = 0.641, support = 0.955, residual support = 1.12: HE22 GLN 8 - HB3 TYR 93 100.000% *100.0000% (0.64 0.96 1.12) = 100.000% kept Peak 3122 (6.80, 2.77, 40.29 ppm): 1 chemical-shift based assignment, quality = 0.174, support = 0.02, residual support = 0.02: HE22 GLN 83 - HB3 TYR 93 100.000% *100.0000% (0.17 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 3123 (8.58, 2.77, 40.29 ppm): 2 chemical-shift based assignments, quality = 0.59, support = 3.97, residual support = 26.8: HN VAL 94 - HB3 TYR 93 50.000% * 97.4748% (0.60 4.06 27.53) = 97.475% kept HN PHE 9 - HB3 TYR 93 50.000% * 2.5252% (0.17 0.36 0.02) = 2.525% kept Peak 3124 (9.60, 2.77, 40.29 ppm): 4 chemical-shift based assignments, quality = 0.493, support = 3.31, residual support = 11.0: O HN TYR 93 - HB3 TYR 93 25.000% * 45.2018% (0.22 10.0 2.85 18.01) = 45.202% kept HN TYR 86 - HB3 TYR 93 25.000% * 30.7770% (0.91 1.0 3.28 3.45) = 30.777% kept HN ILE 85 - HB3 TYR 93 25.000% * 22.1701% (0.48 1.0 4.49 7.66) = 22.170% kept HN LEU 42 - HB3 TYR 93 25.000% * 1.8510% (0.25 1.0 0.73 7.02) = 1.851% kept Peak 3125 (6.80, 2.91, 40.29 ppm): 1 chemical-shift based assignment, quality = 0.174, support = 0.02, residual support = 0.02: HE22 GLN 83 - HB2 TYR 93 100.000% *100.0000% (0.17 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 3126 (9.61, 2.91, 40.29 ppm): 2 chemical-shift based assignments, quality = 0.86, support = 3.42, residual support = 5.48: HN TYR 86 - HB2 TYR 93 50.000% * 51.6914% (0.99 3.00 3.45) = 51.691% kept HN ILE 85 - HB2 TYR 93 50.000% * 48.3086% (0.72 3.87 7.66) = 48.309% kept Peak 3127 (8.59, 5.29, 57.81 ppm): 1 chemical-shift based assignment, quality = 0.338, support = 4.8, residual support = 27.5: O HN VAL 94 - HA TYR 93 100.000% *100.0000% (0.34 10.0 4.80 27.53) = 100.000% kept Peak 3128 (9.31, 5.29, 57.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3129 (9.61, 5.29, 57.81 ppm): 2 chemical-shift based assignments, quality = 0.863, support = 2.09, residual support = 5.43: HN TYR 86 - HA TYR 93 50.000% * 52.8018% (0.99 1.88 3.45) = 52.802% kept HN ILE 85 - HA TYR 93 50.000% * 47.1982% (0.72 2.31 7.66) = 47.198% kept Peak 3130 (8.58, 2.91, 40.29 ppm): 2 chemical-shift based assignments, quality = 0.596, support = 3.8, residual support = 27.3: HN VAL 94 - HB2 TYR 93 50.000% * 99.1159% (0.60 3.84 27.53) = 99.116% kept HN PHE 9 - HB2 TYR 93 50.000% * 0.8841% (0.17 0.12 0.02) = 0.884% Peak 3131 (6.47, 1.62, 34.06 ppm): 1 chemical-shift based assignment, quality = 0.794, support = 0.532, residual support = 1.97: HD22 ASN 29 - HB VAL 94 100.000% *100.0000% (0.79 0.53 1.97) = 100.000% kept Peak 3132 (6.59, 1.62, 34.06 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3133 (8.59, 1.62, 34.06 ppm): 1 chemical-shift based assignment, quality = 0.276, support = 4.4, residual support = 44.9: O HN VAL 94 - HB VAL 94 100.000% *100.0000% (0.28 10.0 4.40 44.94) = 100.000% kept Peak 3134 (9.04, 1.62, 34.06 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3135 (8.54, 5.04, 60.30 ppm): 3 chemical-shift based assignments, quality = 0.173, support = 4.59, residual support = 41.5: O HN VAL 94 - HA VAL 94 33.333% * 92.2622% (0.13 10.0 4.95 44.94) = 92.262% kept HN ASP- 73 - HA VAL 94 33.333% * 5.7942% (0.68 1.0 0.25 0.02) = 5.794% kept HN PHE 9 - HA VAL 94 33.333% * 1.9436% (0.52 1.0 0.11 0.02) = 1.944% kept Peak 3136 (9.04, 5.04, 60.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3137 (0.24, 5.04, 60.30 ppm): 2 chemical-shift based assignments, quality = 0.86, support = 3.98, residual support = 40.9: O T QG2 VAL 94 - HA VAL 94 50.000% * 90.6917% (0.86 10.0 10.00 4.18 44.94) = 90.692% kept QD1 LEU 22 - HA VAL 94 50.000% * 9.3083% (0.86 1.0 1.00 2.05 1.81) = 9.308% kept Peak 3138 (0.24, 1.62, 34.06 ppm): 2 chemical-shift based assignments, quality = 0.86, support = 2.76, residual support = 23.4: O T QG2 VAL 94 - HB VAL 94 50.000% * 50.1613% (0.86 10.0 10.00 3.53 44.94) = 50.161% kept T QD1 LEU 22 - HB VAL 94 50.000% * 49.8387% (0.86 1.0 10.00 1.99 1.81) = 49.839% kept Peak 3139 (0.62, 0.25, 63.23 ppm): 4 chemical-shift based assignments, quality = 0.885, support = 4.29, residual support = 22.6: T QD1 LEU 42 - QG2 VAL 94 25.000% * 84.3383% (0.95 10.00 4.87 26.40) = 84.338% kept QD1 ILE 96 - QG2 VAL 94 25.000% * 7.5486% (0.90 1.00 1.89 2.10) = 7.549% kept T HB2 LEU 22 - QG2 VAL 94 25.000% * 7.1439% (0.28 10.00 0.58 1.81) = 7.144% kept QG2 ILE 24 - QG2 VAL 94 25.000% * 0.9692% (1.00 1.00 0.22 0.02) = 0.969% Peak 3140 (1.61, 0.25, 63.23 ppm): 6 chemical-shift based assignments, quality = 0.959, support = 3.29, residual support = 40.2: O T HB VAL 94 - QG2 VAL 94 16.667% * 82.6893% (0.97 10.0 10.00 3.53 44.94) = 82.689% kept HG LEU 43 - QG2 VAL 94 16.667% * 8.8617% (0.90 1.0 1.00 2.31 32.51) = 8.862% kept HB ILE 96 - QG2 VAL 94 16.667% * 8.3365% (0.98 1.0 1.00 1.99 2.10) = 8.336% kept QB LEU 26 - QG2 VAL 94 16.667% * 0.0622% (0.73 1.0 1.00 0.02 0.02) = 0.062% QG LYS+ 80 - QG2 VAL 94 16.667% * 0.0352% (0.41 1.0 1.00 0.02 0.02) = 0.035% QG ARG+ 90 - QG2 VAL 94 16.667% * 0.0150% (0.18 1.0 1.00 0.02 0.02) = 0.015% Peak 3141 (1.23, 0.25, 63.23 ppm): 6 chemical-shift based assignments, quality = 0.724, support = 2.92, residual support = 18.5: T HB3 LEU 42 - QG2 VAL 94 16.667% * 49.8484% (0.73 10.00 3.20 26.40) = 49.848% kept T HB3 LEU 82 - QG2 VAL 94 16.667% * 49.8484% (0.73 10.00 2.65 10.73) = 49.848% kept QE MET 54 - QG2 VAL 94 16.667% * 0.0903% (0.18 1.00 0.15 0.02) = 0.090% HG3 GLU- 23 - QG2 VAL 94 16.667% * 0.0833% (0.31 1.00 0.08 0.02) = 0.083% HB3 LYS+ 56 - QG2 VAL 94 16.667% * 0.0680% (0.99 1.00 0.02 0.02) = 0.068% QG1 VAL 65 - QG2 VAL 94 16.667% * 0.0616% (0.90 1.00 0.02 0.83) = 0.062% Peak 3142 (2.18, 0.25, 63.23 ppm): 9 chemical-shift based assignments, quality = 0.643, support = 2.92, residual support = 17.3: T HB2 LEU 82 - QG2 VAL 94 11.111% * 48.5942% (0.65 10.00 2.61 10.73) = 48.594% kept T HB2 LEU 42 - QG2 VAL 94 11.111% * 45.5613% (0.61 10.00 3.42 26.40) = 45.561% kept HB2 PHE 84 - QG2 VAL 94 11.111% * 5.6862% (0.92 1.00 1.64 1.37) = 5.686% kept QB GLU- 68 - QG2 VAL 94 11.111% * 0.0395% (0.53 1.00 0.02 0.02) = 0.040% HB2 GLU- 59 - QG2 VAL 94 11.111% * 0.0309% (0.41 1.00 0.02 0.02) = 0.031% QG GLU- 6 - QG2 VAL 94 11.111% * 0.0282% (0.38 1.00 0.02 0.02) = 0.028% HB2 GLU- 77 - QG2 VAL 94 11.111% * 0.0256% (0.34 1.00 0.02 0.02) = 0.026% HB2 MET 101 - QG2 VAL 94 11.111% * 0.0209% (0.28 1.00 0.02 0.02) = 0.021% QG GLU- 77 - QG2 VAL 94 11.111% * 0.0132% (0.18 1.00 0.02 0.02) = 0.013% Peak 3143 (2.81, 0.25, 63.23 ppm): 5 chemical-shift based assignments, quality = 0.859, support = 1.73, residual support = 2.21: HB3 PHE 92 - QG2 VAL 94 20.000% * 60.2783% (0.98 1.99 3.35) = 60.278% kept HB2 TYR 81 - QG2 VAL 94 20.000% * 31.7937% (0.65 1.59 0.58) = 31.794% kept HB2 PHE 28 - QG2 VAL 94 20.000% * 7.4310% (0.84 0.29 0.02) = 7.431% kept HB2 TYR 31 - QG2 VAL 94 20.000% * 0.3252% (0.53 0.02 0.02) = 0.325% HB2 ASP- 73 - QG2 VAL 94 20.000% * 0.1718% (0.28 0.02 0.02) = 0.172% Peak 3144 (3.09, 0.25, 63.23 ppm): 4 chemical-shift based assignments, quality = 0.906, support = 0.991, residual support = 2.98: HB2 PHE 92 - QG2 VAL 94 25.000% * 88.9507% (0.95 1.10 3.35) = 88.951% kept HB2 PHE 9 - QG2 VAL 94 25.000% * 6.9205% (0.76 0.11 0.02) = 6.921% kept HB3 TRP 67 - QG2 VAL 94 25.000% * 3.0901% (0.18 0.21 0.02) = 3.090% kept QB PHE 32 - QG2 VAL 94 25.000% * 1.0387% (0.61 0.02 0.02) = 1.039% kept Peak 3145 (5.03, 0.25, 63.23 ppm): 3 chemical-shift based assignments, quality = 0.979, support = 4.11, residual support = 44.2: O T HA VAL 94 - QG2 VAL 94 33.333% * 98.3296% (0.98 10.0 10.00 4.18 44.94) = 98.330% kept HA PHE 9 - QG2 VAL 94 33.333% * 1.5975% (0.95 1.0 1.00 0.34 0.02) = 1.598% kept HA LEU 63 - QG2 VAL 94 33.333% * 0.0728% (0.73 1.0 1.00 0.02 0.02) = 0.073% Peak 3146 (6.17, 0.25, 63.23 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3147 (6.51, 0.25, 63.23 ppm): 1 chemical-shift based assignment, quality = 0.249, support = 1.31, residual support = 1.97: HD22 ASN 29 - QG2 VAL 94 100.000% *100.0000% (0.25 1.31 1.97) = 100.000% kept Peak 3148 (6.63, 0.25, 63.23 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3149 (7.01, 0.25, 63.23 ppm): 1 chemical-shift based assignment, quality = 0.309, support = 0.02, residual support = 0.02: HE ARG+ 90 - QG2 VAL 94 100.000% *100.0000% (0.31 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 3151 (8.60, 0.25, 63.23 ppm): 1 chemical-shift based assignment, quality = 0.135, support = 5.46, residual support = 44.9: HN VAL 94 - QG2 VAL 94 100.000% *100.0000% (0.14 5.46 44.94) = 100.000% kept Peak 3152 (9.30, 0.25, 63.23 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 5.4, residual support = 32.5: HN LEU 43 - QG2 VAL 94 100.000% *100.0000% (0.61 5.40 32.51) = 100.000% kept Peak 3153 (9.04, 0.25, 63.23 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3154 (9.62, 0.25, 63.23 ppm): 3 chemical-shift based assignments, quality = 0.894, support = 2.27, residual support = 7.35: HN ILE 85 - QG2 VAL 94 33.333% * 67.1110% (1.00 2.51 9.87) = 67.111% kept HN TYR 86 - QG2 VAL 94 33.333% * 32.6879% (0.69 1.78 2.21) = 32.688% kept HN VAL 52 - QG2 VAL 94 33.333% * 0.2011% (0.38 0.02 0.39) = 0.201% Peak 3155 (1.41, 4.14, 61.01 ppm): 3 chemical-shift based assignments, quality = 0.808, support = 0.0874, residual support = 0.02: HB3 LYS+ 60 - HA ILE 95 33.333% * 58.0852% (0.94 0.10 0.02) = 58.085% kept HG13 ILE 38 - HA ILE 95 33.333% * 34.7603% (0.64 0.09 0.02) = 34.760% kept QB ALA 2 - HA ILE 95 33.333% * 7.1545% (0.56 0.02 0.02) = 7.155% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 3156 (1.09, 4.14, 61.01 ppm): 4 chemical-shift based assignments, quality = 0.679, support = 0.711, residual support = 1.7: QG1 VAL 52 - HA ILE 95 25.000% * 60.4227% (0.91 0.78 1.23) = 60.423% kept HG13 ILE 85 - HA ILE 95 25.000% * 18.9557% (0.25 0.91 4.90) = 18.956% kept HG13 ILE 14 - HA ILE 95 25.000% * 11.1234% (0.34 0.39 0.16) = 11.123% kept HG12 ILE 24 - HA ILE 95 25.000% * 9.4982% (0.44 0.25 0.10) = 9.498% kept Peak 3157 (0.86, 4.14, 61.01 ppm): 4 chemical-shift based assignments, quality = 0.868, support = 5.89, residual support = 159.5: T QD1 ILE 95 - HA ILE 95 25.000% * 88.4651% (0.94 10.00 6.56 179.78) = 88.465% kept T QD1 ILE 85 - HA ILE 95 25.000% * 9.4028% (0.22 10.00 0.90 4.90) = 9.403% kept QD2 LEU 43 - HA ILE 95 25.000% * 1.8171% (0.98 1.00 0.39 1.95) = 1.817% kept QG2 VAL 40 - HA ILE 95 25.000% * 0.3150% (0.79 1.00 0.08 0.02) = 0.315% Peak 3158 (0.53, 4.14, 61.01 ppm): 2 chemical-shift based assignments, quality = 0.918, support = 5.99, residual support = 174.2: O T QG2 ILE 95 - HA ILE 95 50.000% * 96.8751% (0.94 10.0 10.00 6.12 179.78) = 96.875% kept QG2 VAL 7 - HA ILE 95 50.000% * 3.1249% (0.31 1.0 1.00 1.98 2.35) = 3.125% kept Peak 3159 (0.27, 4.14, 61.01 ppm): 2 chemical-shift based assignments, quality = 0.372, support = 5.4, residual support = 26.5: QG2 VAL 94 - HA ILE 95 50.000% * 68.5776% (0.37 6.51 36.56) = 68.578% kept QD1 LEU 22 - HA ILE 95 50.000% * 31.4224% (0.37 2.98 4.56) = 31.422% kept Peak 3160 (1.50, 1.77, 40.80 ppm): 6 chemical-shift based assignments, quality = 0.97, support = 5.46, residual support = 177.6: O HG12 ILE 95 - HB ILE 95 16.667% * 98.8024% (0.97 10.0 1.00 5.53 179.78) = 98.802% kept T HG3 LYS+ 17 - HB ILE 95 16.667% * 1.0057% (0.99 1.0 10.00 0.02 0.02) = 1.006% kept HG2 ARG+ 48 - HB ILE 95 16.667% * 0.0770% (0.76 1.0 1.00 0.02 0.02) = 0.077% HG3 PRO 25 - HB ILE 95 16.667% * 0.0571% (0.56 1.0 1.00 0.02 0.02) = 0.057% HB3 PHE 84 - HB ILE 95 16.667% * 0.0378% (0.37 1.0 1.00 0.02 0.02) = 0.038% HB3 GLU- 23 - HB ILE 95 16.667% * 0.0199% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 3161 (1.10, 1.77, 40.80 ppm): 5 chemical-shift based assignments, quality = 0.56, support = 3.48, residual support = 114.1: O T HG13 ILE 95 - HB ILE 95 20.000% * 63.4140% (0.44 10.0 10.00 5.12 179.78) = 63.414% kept T HG13 ILE 14 - HB ILE 95 20.000% * 27.4578% (0.79 1.0 10.00 0.48 0.16) = 27.458% kept QG1 VAL 52 - HB ILE 95 20.000% * 5.1712% (0.48 1.0 1.00 1.50 1.23) = 5.171% kept HG12 ILE 24 - HB ILE 95 20.000% * 3.9290% (0.89 1.0 1.00 0.62 0.10) = 3.929% kept QG2 ILE 38 - HB ILE 95 20.000% * 0.0280% (0.20 1.0 1.00 0.02 0.02) = 0.028% Peak 3162 (0.86, 1.77, 40.80 ppm): 4 chemical-shift based assignments, quality = 0.875, support = 5.59, residual support = 161.2: O T QD1 ILE 95 - HB ILE 95 25.000% * 89.3926% (0.94 10.0 10.00 6.16 179.78) = 89.393% kept T QD1 ILE 85 - HB ILE 95 25.000% * 8.4529% (0.22 1.0 10.00 0.80 4.90) = 8.453% kept QD2 LEU 43 - HB ILE 95 25.000% * 1.8362% (0.98 1.0 1.00 0.39 1.95) = 1.836% kept QG2 VAL 40 - HB ILE 95 25.000% * 0.3183% (0.79 1.0 1.00 0.08 0.02) = 0.318% Peak 3163 (0.53, 1.77, 40.80 ppm): 2 chemical-shift based assignments, quality = 0.916, support = 5.38, residual support = 173.8: O T QG2 ILE 95 - HB ILE 95 50.000% * 96.6172% (0.94 10.0 10.00 5.49 179.78) = 96.617% kept QG2 VAL 7 - HB ILE 95 50.000% * 3.3828% (0.31 1.0 1.00 2.15 2.35) = 3.383% kept Peak 3164 (0.27, 1.77, 40.80 ppm): 2 chemical-shift based assignments, quality = 0.372, support = 4.93, residual support = 27.1: QG2 VAL 94 - HB ILE 95 50.000% * 70.4562% (0.37 5.96 36.56) = 70.456% kept QD1 LEU 22 - HB ILE 95 50.000% * 29.5438% (0.37 2.50 4.56) = 29.544% kept Peak 3165 (2.26, 1.77, 40.80 ppm): 4 chemical-shift based assignments, quality = 0.692, support = 2.27, residual support = 10.8: HG2 GLN 83 - HB ILE 95 25.000% * 87.4124% (0.68 1.00 2.59 11.96) = 87.412% kept HB3 GLN 8 - HB ILE 95 25.000% * 6.7800% (0.97 1.00 0.14 5.29) = 6.780% kept T HB2 PRO 25 - HB ILE 95 25.000% * 5.5627% (0.56 10.00 0.02 0.02) = 5.563% kept HB VAL 40 - HB ILE 95 25.000% * 0.2450% (0.25 1.00 0.02 0.02) = 0.245% Peak 3166 (1.96, 1.77, 40.80 ppm): 6 chemical-shift based assignments, quality = 0.858, support = 1.19, residual support = 10.1: HB3 GLN 83 - HB ILE 95 16.667% * 84.5505% (0.94 1.36 11.96) = 84.551% kept HB VAL 65 - HB ILE 95 16.667% * 6.8961% (0.60 0.17 0.02) = 6.896% kept QG PRO 37 - HB ILE 95 16.667% * 6.4803% (0.22 0.44 0.02) = 6.480% kept HB3 GLU- 77 - HB ILE 95 16.667% * 1.1404% (0.86 0.02 0.02) = 1.140% kept HB3 ARG+ 53 - HB ILE 95 16.667% * 0.6399% (0.48 0.02 0.02) = 0.640% HB3 TYR 31 - HB ILE 95 16.667% * 0.2927% (0.22 0.02 0.02) = 0.293% Peak 3167 (2.48, 1.77, 40.80 ppm): 2 chemical-shift based assignments, quality = 0.722, support = 2.21, residual support = 9.95: HB2 GLN 83 - HB ILE 95 50.000% * 81.9875% (0.76 2.53 11.96) = 81.988% kept HG2 GLU- 68 - HB ILE 95 50.000% * 18.0125% (0.56 0.75 0.79) = 18.012% kept Peak 3168 (0.34, 0.54, 59.67 ppm): 4 chemical-shift based assignments, quality = 0.76, support = 0.742, residual support = 0.62: QD1 LEU 63 - QG2 ILE 95 25.000% * 47.1795% (0.80 0.79 0.66) = 47.180% kept QG1 VAL 71 - QG2 ILE 95 25.000% * 44.3288% (0.80 0.74 0.33) = 44.329% kept QG1 VAL 7 - QG2 ILE 95 25.000% * 7.0044% (0.18 0.54 2.35) = 7.004% kept QD1 ILE 24 - QG2 ILE 95 25.000% * 1.4873% (1.00 0.02 0.10) = 1.487% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 3169 (0.21, 0.54, 59.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3170 (0.86, 0.54, 59.67 ppm): 4 chemical-shift based assignments, quality = 0.885, support = 5.57, residual support = 161.9: T QD1 ILE 95 - QG2 ILE 95 25.000% * 89.8071% (0.95 10.00 6.13 179.78) = 89.807% kept T QD1 ILE 85 - QG2 ILE 95 25.000% * 8.1785% (0.22 10.00 0.77 4.90) = 8.179% kept QD2 LEU 43 - QG2 ILE 95 25.000% * 1.6946% (0.99 1.00 0.36 1.95) = 1.695% kept QG2 VAL 40 - QG2 ILE 95 25.000% * 0.3198% (0.80 1.00 0.08 0.02) = 0.320% Peak 3171 (1.10, 0.54, 59.67 ppm): 5 chemical-shift based assignments, quality = 0.694, support = 4.68, residual support = 161.3: O T HG13 ILE 95 - QG2 ILE 95 20.000% * 89.6861% (0.69 10.0 10.00 5.11 179.78) = 89.686% kept HG12 ILE 24 - QG2 ILE 95 20.000% * 3.8529% (1.00 1.0 1.00 0.59 0.10) = 3.853% kept QG1 VAL 52 - QG2 ILE 95 20.000% * 3.3191% (0.28 1.0 1.00 1.83 1.23) = 3.319% kept HG13 ILE 14 - QG2 ILE 95 20.000% * 3.0929% (0.97 1.0 1.00 0.49 0.16) = 3.093% kept QG2 ILE 38 - QG2 ILE 95 20.000% * 0.0490% (0.38 1.0 1.00 0.02 0.02) = 0.049% Peak 3172 (1.50, 0.54, 59.67 ppm): 6 chemical-shift based assignments, quality = 0.972, support = 5.33, residual support = 178.3: O T HG12 ILE 95 - QG2 ILE 95 16.667% * 99.1908% (0.98 10.0 10.00 5.37 179.78) = 99.191% kept T HG3 PRO 25 - QG2 ILE 95 16.667% * 0.5729% (0.57 1.0 10.00 0.02 0.02) = 0.573% HG3 LYS+ 17 - QG2 ILE 95 16.667% * 0.1010% (1.00 1.0 1.00 0.02 0.02) = 0.101% HG2 ARG+ 48 - QG2 ILE 95 16.667% * 0.0773% (0.76 1.0 1.00 0.02 0.02) = 0.077% HB3 PHE 84 - QG2 ILE 95 16.667% * 0.0380% (0.38 1.0 1.00 0.02 0.02) = 0.038% HB3 GLU- 23 - QG2 ILE 95 16.667% * 0.0200% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 3173 (1.76, 0.54, 59.67 ppm): 11 chemical-shift based assignments, quality = 0.867, support = 5.32, residual support = 173.9: O T HB ILE 95 - QG2 ILE 95 9.091% * 96.7054% (0.87 10.0 10.00 5.49 179.78) = 96.705% kept HB VAL 61 - QG2 ILE 95 9.091% * 2.8613% (0.98 1.0 1.00 0.52 0.02) = 2.861% kept HB2 LYS+ 55 - QG2 ILE 95 9.091% * 0.1112% (1.00 1.0 1.00 0.02 0.27) = 0.111% HB ILE 14 - QG2 ILE 95 9.091% * 0.0721% (0.65 1.0 1.00 0.02 0.16) = 0.072% HB3 PRO 25 - QG2 ILE 95 9.091% * 0.0676% (0.61 1.0 1.00 0.02 0.02) = 0.068% HB3 LYS+ 20 - QG2 ILE 95 9.091% * 0.0458% (0.41 1.0 1.00 0.02 0.02) = 0.046% HG3 ARG+ 53 - QG2 ILE 95 9.091% * 0.0418% (0.38 1.0 1.00 0.02 0.02) = 0.042% HD2 LYS+ 55 - QG2 ILE 95 9.091% * 0.0278% (0.25 1.0 1.00 0.02 0.27) = 0.028% HG LEU 82 - QG2 ILE 95 9.091% * 0.0248% (0.22 1.0 1.00 0.02 0.38) = 0.025% HB2 ARG+ 48 - QG2 ILE 95 9.091% * 0.0248% (0.22 1.0 1.00 0.02 0.02) = 0.025% HG12 ILE 38 - QG2 ILE 95 9.091% * 0.0172% (0.15 1.0 1.00 0.02 0.02) = 0.017% Peak 3174 (2.49, 0.54, 59.67 ppm): 3 chemical-shift based assignments, quality = 0.702, support = 0.851, residual support = 4.7: HG2 GLU- 68 - QG2 ILE 95 33.333% * 64.6676% (0.80 0.91 0.79) = 64.668% kept HB2 GLN 83 - QG2 ILE 95 33.333% * 35.0582% (0.53 0.75 11.96) = 35.058% kept HB2 ARG+ 90 - QG2 ILE 95 33.333% * 0.2742% (0.15 0.02 0.02) = 0.274% Peak 3175 (3.11, 0.54, 59.67 ppm): 3 chemical-shift based assignments, quality = 0.893, support = 0.347, residual support = 0.249: HB3 TRP 67 - QG2 ILE 95 33.333% * 83.1383% (0.98 0.39 0.30) = 83.138% kept HB2 PHE 9 - QG2 ILE 95 33.333% * 10.7053% (0.65 0.08 0.02) = 10.705% kept HB2 PHE 92 - QG2 ILE 95 33.333% * 6.1564% (0.14 0.21 0.02) = 6.156% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 3177 (1.10, 1.49, 28.59 ppm): 10 chemical-shift based assignments, quality = 0.48, support = 4.31, residual support = 141.8: O T HG13 ILE 95 - HG12 ILE 95 10.000% * 77.2598% (0.45 10.0 10.00 5.00 179.78) = 77.260% kept HG12 ILE 24 - HG12 ILE 95 10.000% * 8.5271% (0.89 1.0 1.00 1.10 0.10) = 8.527% kept QG1 VAL 52 - HG12 ILE 95 10.000% * 6.7287% (0.49 1.0 1.00 1.60 1.23) = 6.729% kept HG12 ILE 24 - HG3 PRO 25 10.000% * 4.8579% (0.12 1.0 1.00 4.75 58.32) = 4.858% kept HG13 ILE 14 - HG12 ILE 95 10.000% * 2.4562% (0.80 1.0 1.00 0.36 0.16) = 2.456% kept T HG13 ILE 95 - HG3 PRO 25 10.000% * 0.1023% (0.06 1.0 10.00 0.02 0.02) = 0.102% QG2 ILE 38 - HG12 ILE 95 10.000% * 0.0341% (0.20 1.0 1.00 0.02 0.02) = 0.034% HG13 ILE 14 - HG3 PRO 25 10.000% * 0.0183% (0.11 1.0 1.00 0.02 0.81) = 0.018% QG1 VAL 52 - HG3 PRO 25 10.000% * 0.0111% (0.06 1.0 1.00 0.02 0.31) = 0.011% QG2 ILE 38 - HG3 PRO 25 10.000% * 0.0045% (0.03 1.0 1.00 0.02 0.02) = 0.005% Peak 3178 (0.86, 1.49, 28.59 ppm): 8 chemical-shift based assignments, quality = 0.889, support = 5.65, residual support = 163.6: O T QD1 ILE 95 - HG12 ILE 95 12.500% * 90.7732% (0.94 10.0 10.00 6.17 179.78) = 90.773% kept T QD1 ILE 85 - HG12 ILE 95 12.500% * 7.0262% (0.22 1.0 10.00 0.66 4.90) = 7.026% kept QD2 LEU 43 - HG12 ILE 95 12.500% * 1.7061% (0.99 1.0 1.00 0.36 1.95) = 1.706% kept QG2 VAL 40 - HG12 ILE 95 12.500% * 0.3233% (0.80 1.0 1.00 0.08 0.02) = 0.323% T QD1 ILE 95 - HG3 PRO 25 12.500% * 0.1202% (0.12 1.0 10.00 0.02 0.02) = 0.120% T QD1 ILE 85 - HG3 PRO 25 12.500% * 0.0283% (0.03 1.0 10.00 0.02 0.02) = 0.028% QD2 LEU 43 - HG3 PRO 25 12.500% * 0.0126% (0.13 1.0 1.00 0.02 0.02) = 0.013% QG2 VAL 40 - HG3 PRO 25 12.500% * 0.0102% (0.11 1.0 1.00 0.02 0.02) = 0.010% Peak 3179 (0.53, 1.49, 28.59 ppm): 4 chemical-shift based assignments, quality = 0.744, support = 5.14, residual support = 166.2: O T QG2 ILE 95 - HG12 ILE 95 25.000% * 92.3363% (0.76 10.0 10.00 5.37 179.78) = 92.336% kept QG2 VAL 7 - HG12 ILE 95 25.000% * 7.5330% (0.52 1.0 1.00 2.37 2.35) = 7.533% kept T QG2 ILE 95 - HG3 PRO 25 25.000% * 0.1223% (0.10 1.0 10.00 0.02 0.02) = 0.122% QG2 VAL 7 - HG3 PRO 25 25.000% * 0.0084% (0.07 1.0 1.00 0.02 1.33) = 0.008% Peak 3180 (0.27, 1.49, 28.59 ppm): 4 chemical-shift based assignments, quality = 0.374, support = 4.66, residual support = 27.3: QG2 VAL 94 - HG12 ILE 95 25.000% * 71.0485% (0.37 5.63 36.56) = 71.049% kept QD1 LEU 22 - HG12 ILE 95 25.000% * 28.8846% (0.37 2.29 4.56) = 28.885% kept QD1 LEU 22 - HG3 PRO 25 25.000% * 0.0334% (0.05 0.02 0.02) = 0.033% QG2 VAL 94 - HG3 PRO 25 25.000% * 0.0334% (0.05 0.02 0.02) = 0.033% Peak 3181 (0.86, 1.12, 28.59 ppm): 8 chemical-shift based assignments, quality = 0.89, support = 5.28, residual support = 163.7: O T QD1 ILE 95 - HG13 ILE 95 12.500% * 90.8174% (0.94 10.0 10.00 5.76 179.78) = 90.817% kept T QD1 ILE 85 - HG13 ILE 95 12.500% * 7.0182% (0.22 1.0 10.00 0.66 4.90) = 7.018% kept QD2 LEU 43 - HG13 ILE 95 12.500% * 1.7023% (0.99 1.0 1.00 0.36 1.95) = 1.702% kept QG2 VAL 40 - HG13 ILE 95 12.500% * 0.3234% (0.80 1.0 1.00 0.08 0.02) = 0.323% QD2 LEU 43 - HG3 ARG+ 88 12.500% * 0.0464% (0.48 1.0 1.00 0.02 0.02) = 0.046% QD1 ILE 95 - HG3 ARG+ 88 12.500% * 0.0443% (0.46 1.0 1.00 0.02 0.02) = 0.044% QG2 VAL 40 - HG3 ARG+ 88 12.500% * 0.0375% (0.39 1.0 1.00 0.02 0.02) = 0.038% QD1 ILE 85 - HG3 ARG+ 88 12.500% * 0.0104% (0.11 1.0 1.00 0.02 0.02) = 0.010% Peak 3182 (0.54, 1.12, 28.59 ppm): 4 chemical-shift based assignments, quality = 0.882, support = 4.71, residual support = 155.9: O T QG2 ILE 95 - HG13 ILE 95 25.000% * 86.5141% (1.00 10.0 10.00 5.11 179.78) = 86.514% kept T QG2 VAL 7 - HG13 ILE 95 25.000% * 13.3784% (0.15 1.0 10.00 2.16 2.35) = 13.378% kept T QG2 VAL 7 - HG3 ARG+ 88 25.000% * 0.0653% (0.08 1.0 10.00 0.02 4.46) = 0.065% QG2 ILE 95 - HG3 ARG+ 88 25.000% * 0.0422% (0.49 1.0 1.00 0.02 0.02) = 0.042% Peak 3183 (0.31, 1.12, 28.59 ppm): 6 chemical-shift based assignments, quality = 0.595, support = 1.19, residual support = 2.63: QG1 VAL 7 - HG3 ARG+ 88 16.667% * 39.7640% (0.48 1.84 4.46) = 39.764% kept QG1 VAL 7 - HG13 ILE 95 16.667% * 30.2873% (0.98 0.68 2.35) = 30.287% kept QD1 LEU 63 - HG13 ILE 95 16.667% * 16.9886% (0.37 1.00 0.66) = 16.989% kept QG1 VAL 71 - HG13 ILE 95 16.667% * 11.2574% (0.37 0.66 0.33) = 11.257% kept QD1 LEU 63 - HG3 ARG+ 88 16.667% * 1.5374% (0.18 0.19 0.02) = 1.537% kept QG1 VAL 71 - HG3 ARG+ 88 16.667% * 0.1653% (0.18 0.02 0.02) = 0.165% Peak 3184 (0.53, 0.87, 55.46 ppm): 4 chemical-shift based assignments, quality = 0.887, support = 5.78, residual support = 166.4: T QG2 ILE 95 - QD1 ILE 95 25.000% * 92.3940% (0.94 10.00 6.13 179.78) = 92.394% kept T QG2 ILE 95 - QD1 ILE 85 25.000% * 3.9980% (0.11 10.00 0.77 4.90) = 3.998% kept QG2 VAL 7 - QD1 ILE 95 25.000% * 3.6047% (0.31 1.00 2.39 2.35) = 3.605% kept QG2 VAL 7 - QD1 ILE 85 25.000% * 0.0034% (0.03 1.00 0.02 0.32) = 0.003% Peak 3185 (0.25, 0.87, 55.46 ppm): 4 chemical-shift based assignments, quality = 0.937, support = 5.78, residual support = 26.4: QG2 VAL 94 - QD1 ILE 95 25.000% * 67.9228% (0.98 7.15 36.56) = 67.923% kept QD1 LEU 22 - QD1 ILE 95 25.000% * 27.3188% (0.98 2.88 4.56) = 27.319% kept QG2 VAL 94 - QD1 ILE 85 25.000% * 3.5561% (0.11 3.35 9.87) = 3.556% kept QD1 LEU 22 - QD1 ILE 85 25.000% * 1.2024% (0.11 1.13 0.81) = 1.202% kept Peak 3186 (1.10, 0.87, 55.46 ppm): 10 chemical-shift based assignments, quality = 0.483, support = 4.92, residual support = 145.2: O T HG13 ILE 95 - QD1 ILE 95 10.000% * 80.7049% (0.45 10.0 10.00 5.76 179.78) = 80.705% kept QG1 VAL 52 - QD1 ILE 95 10.000% * 9.9506% (0.49 1.0 1.00 2.27 1.23) = 9.951% kept HG12 ILE 24 - QD1 ILE 95 10.000% * 5.3140% (0.89 1.0 1.00 0.66 0.10) = 5.314% kept HG13 ILE 14 - QD1 ILE 95 10.000% * 3.3283% (0.80 1.0 1.00 0.46 0.16) = 3.328% kept QG1 VAL 52 - QD1 ILE 85 10.000% * 0.5381% (0.05 1.0 1.00 1.10 2.88) = 0.538% T HG13 ILE 95 - QD1 ILE 85 10.000% * 0.0903% (0.05 1.0 10.00 0.02 4.90) = 0.090% QG2 ILE 38 - QD1 ILE 95 10.000% * 0.0356% (0.20 1.0 1.00 0.02 0.02) = 0.036% HG12 ILE 24 - QD1 ILE 85 10.000% * 0.0181% (0.10 1.0 1.00 0.02 0.02) = 0.018% HG13 ILE 14 - QD1 ILE 85 10.000% * 0.0161% (0.09 1.0 1.00 0.02 0.16) = 0.016% QG2 ILE 38 - QD1 ILE 85 10.000% * 0.0040% (0.02 1.0 1.00 0.02 0.02) = 0.004% Peak 3187 (1.49, 0.87, 55.46 ppm): 14 chemical-shift based assignments, quality = 0.949, support = 5.95, residual support = 171.5: O T HG12 ILE 95 - QD1 ILE 95 7.143% * 95.3658% (0.98 10.0 10.00 6.17 179.78) = 95.366% kept HB3 PHE 84 - QD1 ILE 95 7.143% * 2.6085% (0.61 1.0 1.00 0.88 0.02) = 2.609% kept HB3 PHE 84 - QD1 ILE 85 7.143% * 1.2859% (0.07 1.0 1.00 3.90 1.62) = 1.286% kept T HG3 PRO 25 - QD1 ILE 95 7.143% * 0.3319% (0.34 1.0 10.00 0.02 0.02) = 0.332% T HG12 ILE 95 - QD1 ILE 85 7.143% * 0.1066% (0.11 1.0 10.00 0.02 4.90) = 0.107% HG3 LYS+ 17 - QD1 ILE 95 7.143% * 0.0920% (0.94 1.0 1.00 0.02 0.02) = 0.092% HG2 ARG+ 48 - QD1 ILE 95 7.143% * 0.0920% (0.94 1.0 1.00 0.02 0.02) = 0.092% T HG3 PRO 25 - QD1 ILE 85 7.143% * 0.0371% (0.04 1.0 10.00 0.02 0.02) = 0.037% HB3 GLU- 23 - QD1 ILE 95 7.143% * 0.0365% (0.37 1.0 1.00 0.02 0.02) = 0.037% HG3 LYS+ 72 - QD1 ILE 95 7.143% * 0.0170% (0.17 1.0 1.00 0.02 0.19) = 0.017% HG3 LYS+ 17 - QD1 ILE 85 7.143% * 0.0103% (0.11 1.0 1.00 0.02 0.02) = 0.010% HG2 ARG+ 48 - QD1 ILE 85 7.143% * 0.0103% (0.11 1.0 1.00 0.02 0.02) = 0.010% HB3 GLU- 23 - QD1 ILE 85 7.143% * 0.0041% (0.04 1.0 1.00 0.02 0.02) = 0.004% HG3 LYS+ 72 - QD1 ILE 85 7.143% * 0.0019% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 3188 (1.49, 1.12, 28.59 ppm): 14 chemical-shift based assignments, quality = 0.916, support = 4.4, residual support = 156.0: O T HG12 ILE 95 - HG13 ILE 95 7.143% * 86.7459% (0.98 10.0 10.00 5.00 179.78) = 86.746% kept T HG2 ARG+ 48 - HG3 ARG+ 88 7.143% * 10.6344% (0.46 1.0 10.00 0.52 0.02) = 10.634% kept HG2 ARG+ 48 - HG13 ILE 95 7.143% * 1.9839% (0.94 1.0 1.00 0.47 0.02) = 1.984% kept T HG3 PRO 25 - HG13 ILE 95 7.143% * 0.3019% (0.34 1.0 10.00 0.02 0.02) = 0.302% HG3 LYS+ 17 - HG13 ILE 95 7.143% * 0.0837% (0.94 1.0 1.00 0.02 0.02) = 0.084% HB3 PHE 84 - HG13 ILE 95 7.143% * 0.0537% (0.61 1.0 1.00 0.02 0.02) = 0.054% HG12 ILE 95 - HG3 ARG+ 88 7.143% * 0.0423% (0.48 1.0 1.00 0.02 0.02) = 0.042% HG3 LYS+ 17 - HG3 ARG+ 88 7.143% * 0.0408% (0.46 1.0 1.00 0.02 0.02) = 0.041% HB3 GLU- 23 - HG13 ILE 95 7.143% * 0.0332% (0.37 1.0 1.00 0.02 0.02) = 0.033% HB3 PHE 84 - HG3 ARG+ 88 7.143% * 0.0262% (0.30 1.0 1.00 0.02 0.02) = 0.026% HB3 GLU- 23 - HG3 ARG+ 88 7.143% * 0.0162% (0.18 1.0 1.00 0.02 0.12) = 0.016% HG3 LYS+ 72 - HG13 ILE 95 7.143% * 0.0155% (0.17 1.0 1.00 0.02 0.19) = 0.015% HG3 PRO 25 - HG3 ARG+ 88 7.143% * 0.0147% (0.17 1.0 1.00 0.02 0.02) = 0.015% HG3 LYS+ 72 - HG3 ARG+ 88 7.143% * 0.0076% (0.09 1.0 1.00 0.02 0.02) = 0.008% Peak 3190 (1.76, 1.12, 28.59 ppm): 22 chemical-shift based assignments, quality = 0.847, support = 4.9, residual support = 172.1: O T HB ILE 95 - HG13 ILE 95 4.545% * 95.7108% (0.87 10.0 10.00 5.12 179.78) = 95.711% kept HB VAL 61 - HG13 ILE 95 4.545% * 1.8832% (0.98 1.0 1.00 0.35 0.02) = 1.883% kept HB VAL 61 - HG3 ARG+ 88 4.545% * 0.8509% (0.48 1.0 1.00 0.32 0.02) = 0.851% T HB ILE 14 - HG13 ILE 95 4.545% * 0.7138% (0.65 1.0 10.00 0.02 0.16) = 0.714% T HG12 ILE 38 - HG13 ILE 95 4.545% * 0.1702% (0.15 1.0 10.00 0.02 0.02) = 0.170% HB2 LYS+ 55 - HG13 ILE 95 4.545% * 0.1101% (1.00 1.0 1.00 0.02 0.27) = 0.110% T HG12 ILE 38 - HG3 ARG+ 88 4.545% * 0.0831% (0.08 1.0 10.00 0.02 0.37) = 0.083% HB3 PRO 25 - HG13 ILE 95 4.545% * 0.0669% (0.61 1.0 1.00 0.02 0.02) = 0.067% HB2 LYS+ 55 - HG3 ARG+ 88 4.545% * 0.0537% (0.49 1.0 1.00 0.02 0.02) = 0.054% HB ILE 95 - HG3 ARG+ 88 4.545% * 0.0467% (0.42 1.0 1.00 0.02 0.02) = 0.047% HB3 LYS+ 20 - HG13 ILE 95 4.545% * 0.0454% (0.41 1.0 1.00 0.02 0.02) = 0.045% HG3 ARG+ 53 - HG13 ILE 95 4.545% * 0.0414% (0.37 1.0 1.00 0.02 0.02) = 0.041% HB ILE 14 - HG3 ARG+ 88 4.545% * 0.0348% (0.31 1.0 1.00 0.02 0.02) = 0.035% HB3 PRO 25 - HG3 ARG+ 88 4.545% * 0.0326% (0.30 1.0 1.00 0.02 0.02) = 0.033% HD2 LYS+ 55 - HG13 ILE 95 4.545% * 0.0275% (0.25 1.0 1.00 0.02 0.27) = 0.028% HB2 ARG+ 48 - HG13 ILE 95 4.545% * 0.0246% (0.22 1.0 1.00 0.02 0.02) = 0.025% HG LEU 82 - HG13 ILE 95 4.545% * 0.0246% (0.22 1.0 1.00 0.02 0.38) = 0.025% HB3 LYS+ 20 - HG3 ARG+ 88 4.545% * 0.0221% (0.20 1.0 1.00 0.02 0.02) = 0.022% HG3 ARG+ 53 - HG3 ARG+ 88 4.545% * 0.0202% (0.18 1.0 1.00 0.02 1.26) = 0.020% HD2 LYS+ 55 - HG3 ARG+ 88 4.545% * 0.0134% (0.12 1.0 1.00 0.02 0.02) = 0.013% HB2 ARG+ 48 - HG3 ARG+ 88 4.545% * 0.0120% (0.11 1.0 1.00 0.02 0.02) = 0.012% HG LEU 82 - HG3 ARG+ 88 4.545% * 0.0120% (0.11 1.0 1.00 0.02 0.02) = 0.012% Peak 3195 (1.77, 0.87, 55.46 ppm): 18 chemical-shift based assignments, quality = 0.963, support = 5.74, residual support = 164.3: O T HB ILE 95 - QD1 ILE 95 5.556% * 91.3624% (0.99 10.0 10.00 6.16 179.78) = 91.362% kept HB2 LYS+ 55 - QD1 ILE 95 5.556% * 4.8154% (0.94 1.0 1.00 1.10 0.27) = 4.815% kept HG LEU 82 - QD1 ILE 95 5.556% * 3.3506% (0.41 1.0 1.00 1.77 0.38) = 3.351% kept T HB ILE 95 - QD1 ILE 85 5.556% * 0.1022% (0.11 1.0 10.00 0.02 4.90) = 0.102% HB VAL 61 - QD1 ILE 95 5.556% * 0.0904% (0.98 1.0 1.00 0.02 0.02) = 0.090% HB3 LYS+ 20 - QD1 ILE 95 5.556% * 0.0596% (0.65 1.0 1.00 0.02 0.02) = 0.060% HG3 ARG+ 53 - QD1 ILE 95 5.556% * 0.0559% (0.61 1.0 1.00 0.02 0.02) = 0.056% HD2 LYS+ 55 - QD1 ILE 95 5.556% * 0.0413% (0.45 1.0 1.00 0.02 0.27) = 0.041% HB ILE 14 - QD1 ILE 95 5.556% * 0.0379% (0.41 1.0 1.00 0.02 0.16) = 0.038% HB3 PRO 25 - QD1 ILE 95 5.556% * 0.0346% (0.37 1.0 1.00 0.02 0.02) = 0.035% HB VAL 61 - QD1 ILE 85 5.556% * 0.0101% (0.11 1.0 1.00 0.02 0.02) = 0.010% HB2 LYS+ 55 - QD1 ILE 85 5.556% * 0.0098% (0.11 1.0 1.00 0.02 0.52) = 0.010% HB3 LYS+ 20 - QD1 ILE 85 5.556% * 0.0067% (0.07 1.0 1.00 0.02 0.02) = 0.007% HG3 ARG+ 53 - QD1 ILE 85 5.556% * 0.0063% (0.07 1.0 1.00 0.02 0.02) = 0.006% HD2 LYS+ 55 - QD1 ILE 85 5.556% * 0.0046% (0.05 1.0 1.00 0.02 0.52) = 0.005% HB ILE 14 - QD1 ILE 85 5.556% * 0.0042% (0.05 1.0 1.00 0.02 0.16) = 0.004% HG LEU 82 - QD1 ILE 85 5.556% * 0.0042% (0.05 1.0 1.00 0.02 0.02) = 0.004% HB3 PRO 25 - QD1 ILE 85 5.556% * 0.0039% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 3196 (4.13, 0.87, 55.46 ppm): 12 chemical-shift based assignments, quality = 0.895, support = 5.98, residual support = 162.0: T HA ILE 95 - QD1 ILE 95 8.333% * 90.0049% (0.98 10.00 6.56 179.78) = 90.005% kept T HA ILE 95 - QD1 ILE 85 8.333% * 4.5456% (0.11 10.00 0.90 4.90) = 4.546% kept T HA LEU 26 - QD1 ILE 85 8.333% * 3.9186% (0.10 10.00 0.83 0.27) = 3.919% kept HA GLU- 30 - QD1 ILE 95 8.333% * 1.0960% (0.52 1.00 0.45 0.02) = 1.096% kept HA GLU- 16 - QD1 ILE 95 8.333% * 0.0916% (1.00 1.00 0.02 0.02) = 0.092% HB THR 39 - QD1 ILE 95 8.333% * 0.0900% (0.98 1.00 0.02 0.02) = 0.090% QB SER 19 - QD1 ILE 95 8.333% * 0.0848% (0.92 1.00 0.02 0.02) = 0.085% HA LEU 26 - QD1 ILE 95 8.333% * 0.0848% (0.92 1.00 0.02 0.02) = 0.085% T HA GLU- 30 - QD1 ILE 85 8.333% * 0.0540% (0.06 10.00 0.02 0.02) = 0.054% HA GLU- 16 - QD1 ILE 85 8.333% * 0.0102% (0.11 1.00 0.02 0.02) = 0.010% HB THR 39 - QD1 ILE 85 8.333% * 0.0101% (0.11 1.00 0.02 0.02) = 0.010% QB SER 19 - QD1 ILE 85 8.333% * 0.0095% (0.10 1.00 0.02 0.02) = 0.009% Peak 3197 (4.14, 1.12, 28.59 ppm): 16 chemical-shift based assignments, quality = 0.971, support = 5.47, residual support = 178.5: O HA ILE 95 - HG13 ILE 95 6.250% * 99.2682% (0.98 10.0 5.51 179.78) = 99.268% kept QB SER 19 - HG13 ILE 95 6.250% * 0.1013% (1.00 1.0 0.02 0.02) = 0.101% HA LEU 26 - HG13 ILE 95 6.250% * 0.1013% (1.00 1.0 0.02 0.02) = 0.101% HA GLU- 16 - HG13 ILE 95 6.250% * 0.0958% (0.94 1.0 0.02 0.02) = 0.096% HB THR 39 - HG13 ILE 95 6.250% * 0.0846% (0.83 1.0 0.02 0.02) = 0.085% HA LEU 26 - HG3 ARG+ 88 6.250% * 0.0494% (0.49 1.0 0.02 0.12) = 0.049% QB SER 19 - HG3 ARG+ 88 6.250% * 0.0494% (0.49 1.0 0.02 0.02) = 0.049% HA ILE 95 - HG3 ARG+ 88 6.250% * 0.0484% (0.48 1.0 0.02 0.02) = 0.048% HA GLU- 16 - HG3 ARG+ 88 6.250% * 0.0467% (0.46 1.0 0.02 0.02) = 0.047% HB THR 39 - HG3 ARG+ 88 6.250% * 0.0413% (0.41 1.0 0.02 0.02) = 0.041% HA GLU- 30 - HG13 ILE 95 6.250% * 0.0313% (0.31 1.0 0.02 0.02) = 0.031% HA SER 19 - HG13 ILE 95 6.250% * 0.0225% (0.22 1.0 0.02 0.02) = 0.023% HA PRO 25 - HG13 ILE 95 6.250% * 0.0225% (0.22 1.0 0.02 0.02) = 0.023% HA GLU- 30 - HG3 ARG+ 88 6.250% * 0.0152% (0.15 1.0 0.02 0.02) = 0.015% HA SER 19 - HG3 ARG+ 88 6.250% * 0.0110% (0.11 1.0 0.02 0.02) = 0.011% HA PRO 25 - HG3 ARG+ 88 6.250% * 0.0110% (0.11 1.0 0.02 0.02) = 0.011% Peak 3198 (4.14, 1.49, 28.59 ppm): 16 chemical-shift based assignments, quality = 0.924, support = 5.82, residual support = 172.4: O HA ILE 95 - HG12 ILE 95 6.250% * 94.1098% (0.98 10.0 1.00 5.91 179.78) = 94.110% kept O T HA PRO 25 - HG3 PRO 25 6.250% * 2.8302% (0.03 10.0 10.00 6.48 98.73) = 2.830% kept HA LEU 26 - HG3 PRO 25 6.250% * 2.1598% (0.13 1.0 1.00 3.40 21.19) = 2.160% kept T HA PRO 25 - HG12 ILE 95 6.250% * 0.2138% (0.22 1.0 10.00 0.02 0.02) = 0.214% T HA SER 19 - HG12 ILE 95 6.250% * 0.2138% (0.22 1.0 10.00 0.02 0.02) = 0.214% HA LEU 26 - HG12 ILE 95 6.250% * 0.0960% (1.00 1.0 1.00 0.02 0.02) = 0.096% QB SER 19 - HG12 ILE 95 6.250% * 0.0960% (1.00 1.0 1.00 0.02 0.02) = 0.096% HA GLU- 16 - HG12 ILE 95 6.250% * 0.0908% (0.94 1.0 1.00 0.02 0.02) = 0.091% HB THR 39 - HG12 ILE 95 6.250% * 0.0802% (0.83 1.0 1.00 0.02 0.02) = 0.080% HA GLU- 30 - HG12 ILE 95 6.250% * 0.0296% (0.31 1.0 1.00 0.02 0.02) = 0.030% T HA SER 19 - HG3 PRO 25 6.250% * 0.0283% (0.03 1.0 10.00 0.02 0.76) = 0.028% QB SER 19 - HG3 PRO 25 6.250% * 0.0127% (0.13 1.0 1.00 0.02 0.76) = 0.013% HA ILE 95 - HG3 PRO 25 6.250% * 0.0125% (0.13 1.0 1.00 0.02 0.02) = 0.012% HA GLU- 16 - HG3 PRO 25 6.250% * 0.0120% (0.12 1.0 1.00 0.02 0.92) = 0.012% HB THR 39 - HG3 PRO 25 6.250% * 0.0106% (0.11 1.0 1.00 0.02 0.02) = 0.011% HA GLU- 30 - HG3 PRO 25 6.250% * 0.0039% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 3199 (4.13, 0.54, 59.67 ppm): 6 chemical-shift based assignments, quality = 0.976, support = 6.09, residual support = 179.0: O T HA ILE 95 - QG2 ILE 95 16.667% * 99.5581% (0.98 10.0 10.00 6.12 179.78) = 99.558% kept HA GLU- 16 - QG2 ILE 95 16.667% * 0.1013% (1.00 1.0 1.00 0.02 0.02) = 0.101% HB THR 39 - QG2 ILE 95 16.667% * 0.0996% (0.98 1.0 1.00 0.02 0.02) = 0.100% QB SER 19 - QG2 ILE 95 16.667% * 0.0938% (0.92 1.0 1.00 0.02 0.02) = 0.094% HA LEU 26 - QG2 ILE 95 16.667% * 0.0938% (0.92 1.0 1.00 0.02 0.02) = 0.094% HA GLU- 30 - QG2 ILE 95 16.667% * 0.0534% (0.53 1.0 1.00 0.02 0.02) = 0.053% Peak 3200 (8.25, 4.14, 61.01 ppm): 2 chemical-shift based assignments, quality = 0.303, support = 3.61, residual support = 9.69: O HN ILE 96 - HA ILE 95 50.000% * 79.5606% (0.25 10.0 3.92 11.38) = 79.561% kept HN ASP- 3 - HA ILE 95 50.000% * 20.4394% (0.52 1.0 2.44 3.10) = 20.439% kept Peak 3201 (5.07, 1.77, 40.80 ppm): 3 chemical-shift based assignments, quality = 0.77, support = 0.143, residual support = 0.113: HA LYS+ 80 - HB ILE 95 33.333% * 49.6084% (0.89 0.17 0.02) = 49.608% kept HA LYS+ 56 - HB ILE 95 33.333% * 28.1019% (0.60 0.14 0.02) = 28.102% kept HA1 GLY 66 - HB ILE 95 33.333% * 22.2896% (0.72 0.09 0.44) = 22.290% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 3202 (6.77, 1.77, 40.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3203 (9.02, 1.77, 40.80 ppm): 2 chemical-shift based assignments, quality = 0.757, support = 5.78, residual support = 164.8: O HN ILE 95 - HB ILE 95 50.000% * 91.6090% (0.76 10.0 6.15 179.78) = 91.609% kept HN THR 51 - HB ILE 95 50.000% * 8.3910% (0.76 1.0 1.83 1.59) = 8.391% kept Peak 3204 (6.77, 0.54, 59.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3205 (6.95, 0.54, 59.67 ppm): 1 chemical-shift based assignment, quality = 0.411, support = 0.157, residual support = 0.157: HN PHE 70 - QG2 ILE 95 100.000% *100.0000% (0.41 0.16 0.16) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 3206 (8.25, 0.54, 59.67 ppm): 2 chemical-shift based assignments, quality = 0.385, support = 2.75, residual support = 7.34: HN ILE 96 - QG2 ILE 95 50.000% * 51.1605% (0.25 3.75 11.38) = 51.161% kept HN ASP- 3 - QG2 ILE 95 50.000% * 48.8395% (0.53 1.70 3.10) = 48.839% kept Peak 3207 (9.03, 0.54, 59.67 ppm): 2 chemical-shift based assignments, quality = 0.487, support = 5.32, residual support = 145.6: HN ILE 95 - QG2 ILE 95 50.000% * 80.8200% (0.49 6.24 179.78) = 80.820% kept HN THR 51 - QG2 ILE 95 50.000% * 19.1800% (0.49 1.48 1.59) = 19.180% kept Peak 3208 (9.35, 0.54, 59.67 ppm): 2 chemical-shift based assignments, quality = 0.824, support = 0.507, residual support = 0.277: HN GLY 66 - QG2 ILE 95 50.000% * 61.6616% (0.73 0.64 0.44) = 61.662% kept HN VAL 61 - QG2 ILE 95 50.000% * 38.3384% (0.98 0.29 0.02) = 38.338% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 3210 (6.64, 1.49, 28.59 ppm): 2 chemical-shift based assignments, quality = 0.348, support = 1.53, residual support = 4.9: HE22 GLN 8 - HG12 ILE 95 50.000% * 91.7993% (0.37 1.58 5.29) = 91.799% kept HE22 GLN 8 - HG3 PRO 25 50.000% * 8.2007% (0.05 1.06 0.58) = 8.201% kept Peak 3211 (9.03, 1.49, 28.59 ppm): 4 chemical-shift based assignments, quality = 0.485, support = 5.37, residual support = 145.9: HN ILE 95 - HG12 ILE 95 25.000% * 80.9579% (0.49 6.28 179.78) = 80.958% kept HN THR 51 - HG12 ILE 95 25.000% * 18.9738% (0.49 1.47 1.59) = 18.974% kept HN THR 51 - HG3 PRO 25 25.000% * 0.0341% (0.06 0.02 0.02) = 0.034% HN ILE 95 - HG3 PRO 25 25.000% * 0.0341% (0.06 0.02 0.02) = 0.034% Peak 3212 (6.61, 1.12, 28.59 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3213 (9.03, 1.12, 28.59 ppm): 4 chemical-shift based assignments, quality = 0.484, support = 4.98, residual support = 144.4: HN ILE 95 - HG13 ILE 95 25.000% * 80.1627% (0.49 5.86 179.78) = 80.163% kept HN THR 51 - HG13 ILE 95 25.000% * 19.5706% (0.49 1.43 1.59) = 19.571% kept HN THR 51 - HG3 ARG+ 88 25.000% * 0.1334% (0.24 0.02 0.02) = 0.133% HN ILE 95 - HG3 ARG+ 88 25.000% * 0.1334% (0.24 0.02 0.02) = 0.133% Peak 3214 (4.77, 0.87, 55.46 ppm): 6 chemical-shift based assignments, quality = 0.247, support = 2.5, residual support = 55.1: HA ILE 85 - QD1 ILE 85 16.667% * 43.0057% (0.05 5.14 127.62) = 43.006% kept HA LYS+ 55 - QD1 ILE 95 16.667% * 38.2062% (0.49 0.43 0.27) = 38.206% kept HA THR 64 - QD1 ILE 85 16.667% * 14.1800% (0.09 0.87 0.51) = 14.180% kept HA THR 64 - QD1 ILE 95 16.667% * 2.9139% (0.80 0.02 0.02) = 2.914% kept HA ILE 85 - QD1 ILE 95 16.667% * 1.4960% (0.41 0.02 4.90) = 1.496% kept HA LYS+ 55 - QD1 ILE 85 16.667% * 0.1981% (0.05 0.02 0.52) = 0.198% Peak 3215 (5.03, 0.87, 55.46 ppm): 6 chemical-shift based assignments, quality = 0.876, support = 4.5, residual support = 32.1: HA VAL 94 - QD1 ILE 95 16.667% * 87.4088% (0.89 5.10 36.56) = 87.409% kept HA PHE 9 - QD1 ILE 95 16.667% * 7.6469% (1.00 0.40 0.02) = 7.647% kept HA LEU 63 - QD1 ILE 95 16.667% * 1.7139% (0.87 0.10 0.66) = 1.714% kept HA VAL 94 - QD1 ILE 85 16.667% * 1.3165% (0.10 0.69 9.87) = 1.317% kept HA PHE 9 - QD1 ILE 85 16.667% * 1.1294% (0.11 0.53 0.71) = 1.129% kept HA LEU 63 - QD1 ILE 85 16.667% * 0.7844% (0.10 0.42 0.02) = 0.784% Peak 3216 (6.64, 0.87, 55.46 ppm): 2 chemical-shift based assignments, quality = 0.355, support = 2.7, residual support = 5.31: HE22 GLN 8 - QD1 ILE 95 50.000% * 94.2806% (0.37 2.78 5.29) = 94.281% kept HE22 GLN 8 - QD1 ILE 85 50.000% * 5.7194% (0.04 1.51 5.78) = 5.719% kept Peak 3217 (6.79, 0.87, 55.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3218 (7.20, 0.87, 55.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3219 (7.30, 0.87, 55.46 ppm): 2 chemical-shift based assignments, quality = 0.292, support = 1.95, residual support = 11.4: HE21 GLN 83 - QD1 ILE 95 50.000% * 94.1796% (0.31 2.00 11.96) = 94.180% kept HE21 GLN 83 - QD1 ILE 85 50.000% * 5.8204% (0.03 1.11 2.05) = 5.820% kept Peak 3220 (8.25, 0.87, 55.46 ppm): 2 chemical-shift based assignments, quality = 0.798, support = 1.65, residual support = 3.1: HN ASP- 3 - QD1 ILE 95 50.000% * 99.8652% (0.80 1.66 3.10) = 99.865% kept HN ASP- 3 - QD1 ILE 85 50.000% * 0.1348% (0.09 0.02 0.02) = 0.135% Peak 3221 (9.01, 0.87, 55.46 ppm): 4 chemical-shift based assignments, quality = 0.942, support = 6.18, residual support = 143.9: HN ILE 95 - QD1 ILE 95 25.000% * 79.7886% (0.98 7.28 179.78) = 79.789% kept HN THR 51 - QD1 ILE 95 25.000% * 16.0783% (0.98 1.47 1.59) = 16.078% kept HN ILE 95 - QD1 ILE 85 25.000% * 4.1086% (0.11 3.35 4.90) = 4.109% kept HN THR 51 - QD1 ILE 85 25.000% * 0.0245% (0.11 0.02 0.02) = 0.025% Peak 3222 (9.25, 0.87, 55.46 ppm): 10 chemical-shift based assignments, quality = 0.686, support = 0.552, residual support = 6.38: HN GLN 83 - QD1 ILE 95 10.000% * 51.5732% (0.72 0.68 11.96) = 51.573% kept HN LYS+ 55 - QD1 ILE 95 10.000% * 34.9736% (0.80 0.42 0.27) = 34.974% kept HN GLN 83 - QD1 ILE 85 10.000% * 5.8240% (0.08 0.69 2.05) = 5.824% kept HN GLY 58 - QD1 ILE 85 10.000% * 2.6520% (0.05 0.47 0.02) = 2.652% kept HN ARG+ 90 - QD1 ILE 95 10.000% * 2.0446% (0.98 0.02 0.02) = 2.045% kept HN ARG+ 90 - QD1 ILE 85 10.000% * 1.2715% (0.11 0.11 0.02) = 1.271% kept HN GLY 58 - QD1 ILE 95 10.000% * 1.0153% (0.49 0.02 0.02) = 1.015% kept HN ARG+ 57 - QD1 ILE 95 10.000% * 0.4128% (0.20 0.02 0.02) = 0.413% HN LYS+ 55 - QD1 ILE 85 10.000% * 0.1868% (0.09 0.02 0.52) = 0.187% HN ARG+ 57 - QD1 ILE 85 10.000% * 0.0462% (0.02 0.02 0.02) = 0.046% Peak 3223 (0.79, 1.62, 39.60 ppm): 6 chemical-shift based assignments, quality = 0.831, support = 4.3, residual support = 45.7: O T QG2 ILE 96 - HB ILE 96 16.667% * 86.9484% (0.86 10.0 10.00 4.68 49.73) = 86.948% kept HB2 LEU 76 - HB ILE 96 16.667% * 7.9216% (0.64 1.0 1.00 2.44 30.20) = 7.922% kept HG LEU 22 - HB ILE 96 16.667% * 2.9860% (0.60 1.0 1.00 0.98 1.73) = 2.986% kept QG2 VAL 61 - HB ILE 96 16.667% * 2.1006% (0.68 1.0 1.00 0.61 2.32) = 2.101% kept QG2 VAL 71 - HB ILE 96 16.667% * 0.0279% (0.28 1.0 1.00 0.02 0.02) = 0.028% HG13 ILE 24 - HB ILE 96 16.667% * 0.0155% (0.15 1.0 1.00 0.02 0.10) = 0.015% Peak 3224 (0.62, 1.62, 39.60 ppm): 4 chemical-shift based assignments, quality = 0.966, support = 3.29, residual support = 49.5: O T QD1 ILE 96 - HB ILE 96 25.000% * 99.4804% (0.97 10.0 10.00 3.31 49.73) = 99.480% kept QD1 LEU 42 - HB ILE 96 25.000% * 0.3819% (0.99 1.0 1.00 0.08 0.02) = 0.382% QG2 ILE 24 - HB ILE 96 25.000% * 0.0960% (0.94 1.0 1.00 0.02 0.10) = 0.096% HB2 LEU 22 - HB ILE 96 25.000% * 0.0417% (0.41 1.0 1.00 0.02 1.73) = 0.042% Peak 3225 (0.72, 1.62, 39.60 ppm): 3 chemical-shift based assignments, quality = 0.858, support = 3.44, residual support = 49.6: O T QG1 ILE 96 - HB ILE 96 33.333% * 99.7528% (0.86 10.0 10.00 3.45 49.73) = 99.753% kept T QD1 LEU 43 - HB ILE 96 33.333% * 0.1774% (0.15 1.0 10.00 0.02 0.02) = 0.177% QG1 VAL 61 - HB ILE 96 33.333% * 0.0698% (0.60 1.0 1.00 0.02 2.32) = 0.070% Peak 3226 (0.43, 1.62, 39.60 ppm): 2 chemical-shift based assignments, quality = 0.717, support = 3.61, residual support = 30.2: T QD1 LEU 76 - HB ILE 96 50.000% * 77.8134% (0.64 10.00 3.58 30.20) = 77.813% kept QD2 LEU 76 - HB ILE 96 50.000% * 22.1866% (0.98 1.00 3.72 30.20) = 22.187% kept Peak 3228 (0.62, 0.80, 59.99 ppm): 4 chemical-shift based assignments, quality = 0.97, support = 3.28, residual support = 48.0: T QD1 ILE 96 - QG2 ILE 96 25.000% * 96.5024% (0.98 10.00 3.39 49.73) = 96.502% kept QG2 ILE 24 - QG2 ILE 96 25.000% * 2.7224% (0.94 1.00 0.58 0.10) = 2.722% kept T HB2 LEU 22 - QG2 ILE 96 25.000% * 0.4047% (0.41 10.00 0.02 1.73) = 0.405% QD1 LEU 42 - QG2 ILE 96 25.000% * 0.3705% (1.00 1.00 0.08 0.02) = 0.370% Peak 3229 (0.43, 0.80, 59.99 ppm): 2 chemical-shift based assignments, quality = 0.853, support = 4.2, residual support = 30.2: T QD2 LEU 76 - QG2 ILE 96 50.000% * 60.5077% (0.99 10.00 4.32 30.20) = 60.508% kept T QD1 LEU 76 - QG2 ILE 96 50.000% * 39.4923% (0.65 10.00 4.03 30.20) = 39.492% kept Peak 3230 (0.43, 0.63, 56.11 ppm): 2 chemical-shift based assignments, quality = 0.853, support = 4.51, residual support = 30.2: T QD2 LEU 76 - QD1 ILE 96 50.000% * 60.5077% (0.99 10.00 4.58 30.20) = 60.508% kept T QD1 LEU 76 - QD1 ILE 96 50.000% * 39.4923% (0.65 10.00 4.39 30.20) = 39.492% kept Peak 3231 (0.79, 0.63, 56.11 ppm): 5 chemical-shift based assignments, quality = 0.965, support = 3.13, residual support = 45.0: T QG2 ILE 96 - QD1 ILE 96 20.000% * 86.4568% (0.99 10.00 3.39 49.73) = 86.457% kept QG2 VAL 61 - QD1 ILE 96 20.000% * 6.3300% (0.89 1.00 1.62 2.32) = 6.330% kept HB2 LEU 76 - QD1 ILE 96 20.000% * 6.1792% (0.87 1.00 1.63 30.20) = 6.179% kept HG LEU 22 - QD1 ILE 96 20.000% * 0.7648% (0.83 1.00 0.21 1.73) = 0.765% T HG13 ILE 24 - QD1 ILE 96 20.000% * 0.2692% (0.31 10.00 0.02 0.10) = 0.269% Peak 3232 (0.96, 0.63, 56.11 ppm): 7 chemical-shift based assignments, quality = 0.94, support = 0.834, residual support = 0.762: HG3 LYS+ 56 - QD1 ILE 96 14.286% * 26.4843% (0.96 1.07 1.39) = 26.484% kept QD2 LEU 82 - QD1 ILE 96 14.286% * 23.4889% (1.00 0.92 0.33) = 23.489% kept QG2 VAL 52 - QD1 ILE 96 14.286% * 18.1187% (0.94 0.75 1.71) = 18.119% kept HB3 ARG+ 48 - QD1 ILE 96 14.286% * 16.6645% (0.89 0.73 0.02) = 16.665% kept QG2 ILE 14 - QD1 ILE 96 14.286% * 13.0987% (0.94 0.54 0.02) = 13.099% kept QG2 ILE 85 - QD1 ILE 96 14.286% * 2.0661% (0.34 0.24 0.02) = 2.066% kept QG2 THR 64 - QD1 ILE 96 14.286% * 0.0788% (0.15 0.02 0.02) = 0.079% Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 3233 (1.28, 0.63, 56.11 ppm): 4 chemical-shift based assignments, quality = 0.898, support = 0.707, residual support = 0.851: HD2 LYS+ 56 - QD1 ILE 96 25.000% * 54.7128% (0.89 0.99 1.39) = 54.713% kept QD1 LEU 82 - QD1 ILE 96 25.000% * 26.6587% (1.00 0.43 0.33) = 26.659% kept HB3 LEU 63 - QD1 ILE 96 25.000% * 16.0274% (0.83 0.31 0.02) = 16.027% kept QG2 THR 51 - QD1 ILE 96 25.000% * 2.6012% (0.37 0.11 0.02) = 2.601% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 3234 (1.43, 0.63, 56.11 ppm): 5 chemical-shift based assignments, quality = 0.714, support = 1.36, residual support = 4.27: T HB3 ASN 74 - QD1 ILE 96 20.000% * 93.6912% (0.72 10.00 1.41 4.55) = 93.691% kept HB3 LYS+ 60 - QD1 ILE 96 20.000% * 2.4496% (0.22 1.00 1.20 0.37) = 2.450% kept HB2 LEU 63 - QD1 ILE 96 20.000% * 1.9822% (0.65 1.00 0.34 0.02) = 1.982% kept HG13 ILE 38 - QD1 ILE 96 20.000% * 1.8488% (0.89 1.00 0.23 0.02) = 1.849% kept HG3 LYS+ 72 - QD1 ILE 96 20.000% * 0.0282% (0.15 1.00 0.02 0.02) = 0.028% Peak 3235 (1.61, 0.63, 56.11 ppm): 6 chemical-shift based assignments, quality = 0.883, support = 3.13, residual support = 46.3: O T HB ILE 96 - QD1 ILE 96 16.667% * 92.7437% (0.89 10.0 10.00 3.31 49.73) = 92.744% kept HB VAL 94 - QD1 ILE 96 16.667% * 4.5046% (0.87 1.0 1.00 1.00 2.10) = 4.505% kept QG LYS+ 80 - QD1 ILE 96 16.667% * 2.5542% (0.56 1.0 1.00 0.87 2.16) = 2.554% kept QB LEU 26 - QD1 ILE 96 16.667% * 0.0897% (0.87 1.0 1.00 0.02 0.02) = 0.090% HG LEU 43 - QD1 ILE 96 16.667% * 0.0790% (0.76 1.0 1.00 0.02 0.02) = 0.079% QG ARG+ 90 - QD1 ILE 96 16.667% * 0.0288% (0.28 1.0 1.00 0.02 0.02) = 0.029% Peak 3236 (2.14, 0.63, 56.11 ppm): 7 chemical-shift based assignments, quality = 0.942, support = 1.34, residual support = 4.26: T HB2 ASN 74 - QD1 ILE 96 14.286% * 92.1281% (0.96 10.00 1.41 4.55) = 92.128% kept QG GLN 8 - QD1 ILE 96 14.286% * 4.4159% (0.87 1.00 0.75 1.41) = 4.416% kept HB ILE 85 - QD1 ILE 96 14.286% * 1.4861% (0.92 1.00 0.24 0.02) = 1.486% kept HB2 LEU 82 - QD1 ILE 96 14.286% * 1.2407% (0.22 1.00 0.82 0.33) = 1.241% kept HB2 GLU- 59 - QD1 ILE 96 14.286% * 0.5143% (0.41 1.00 0.18 0.02) = 0.514% HB3 MET 101 - QD1 ILE 96 14.286% * 0.1217% (0.89 1.00 0.02 0.02) = 0.122% QB MET 10 - QD1 ILE 96 14.286% * 0.0932% (0.69 1.00 0.02 0.02) = 0.093% Peak 3237 (3.75, 0.63, 56.11 ppm): 2 chemical-shift based assignments, quality = 0.763, support = 0.0741, residual support = 0.02: HA2 GLY 47 - QD1 ILE 96 50.000% * 81.2400% (0.76 0.09 0.02) = 81.240% kept HD2 PRO 35 - QD1 ILE 96 50.000% * 18.7600% (0.76 0.02 0.02) = 18.760% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 3238 (4.48, 0.63, 56.11 ppm): 8 chemical-shift based assignments, quality = 0.828, support = 1.24, residual support = 2.25: HA ASN 74 - QD1 ILE 96 12.500% * 33.9561% (0.96 1.50 4.55) = 33.956% kept HA VAL 61 - QD1 ILE 96 12.500% * 26.1306% (0.87 1.28 2.32) = 26.131% kept HA LYS+ 60 - QD1 ILE 96 12.500% * 23.9861% (0.80 1.28 0.37) = 23.986% kept HA TYR 31 - QD1 ILE 96 12.500% * 9.9601% (0.56 0.75 0.02) = 9.960% kept HA VAL 7 - QD1 ILE 96 12.500% * 4.8371% (0.56 0.36 0.11) = 4.837% kept HA ASN 100 - QD1 ILE 96 12.500% * 0.4598% (0.98 0.02 0.02) = 0.460% HA ASN 69 - QD1 ILE 96 12.500% * 0.4598% (0.98 0.02 0.02) = 0.460% HA MET 1 - QD1 ILE 96 12.500% * 0.2103% (0.45 0.02 0.02) = 0.210% Peak 3239 (4.65, 0.63, 56.11 ppm): 3 chemical-shift based assignments, quality = 0.735, support = 1.81, residual support = 22.1: HA ASP- 3 - QD1 ILE 96 33.333% * 36.0860% (0.92 1.29 13.32) = 36.086% kept HA ILE 96 - QD1 ILE 96 33.333% * 34.0471% (0.37 3.00 49.73) = 34.047% kept HA GLU- 77 - QD1 ILE 96 33.333% * 29.8669% (0.92 1.07 1.18) = 29.867% kept Peak 3240 (0.43, 0.73, 27.95 ppm): 2 chemical-shift based assignments, quality = 0.823, support = 2.9, residual support = 30.2: QD2 LEU 76 - QG1 ILE 96 50.000% * 51.5663% (0.99 2.39 30.20) = 51.566% kept QD1 LEU 76 - QG1 ILE 96 50.000% * 48.4337% (0.65 3.44 30.20) = 48.434% kept Peak 3241 (0.62, 0.73, 27.95 ppm): 4 chemical-shift based assignments, quality = 0.976, support = 2.52, residual support = 49.6: O QD1 ILE 96 - QG1 ILE 96 25.000% * 99.7603% (0.98 10.0 2.53 49.73) = 99.760% kept QD1 LEU 42 - QG1 ILE 96 25.000% * 0.1015% (1.00 1.0 0.02 0.02) = 0.102% QG2 ILE 24 - QG1 ILE 96 25.000% * 0.0963% (0.94 1.0 0.02 0.10) = 0.096% HB2 LEU 22 - QG1 ILE 96 25.000% * 0.0418% (0.41 1.0 0.02 1.73) = 0.042% Peak 3242 (0.96, 0.73, 27.95 ppm): 7 chemical-shift based assignments, quality = 0.943, support = 0.951, residual support = 1.52: T QG2 VAL 52 - QG1 ILE 96 14.286% * 85.8984% (0.94 10.00 1.04 1.71) = 85.898% kept HB3 ARG+ 48 - QG1 ILE 96 14.286% * 3.9188% (0.89 1.00 0.50 0.02) = 3.919% kept QG2 ILE 14 - QG1 ILE 96 14.286% * 3.8247% (0.94 1.00 0.46 0.02) = 3.825% kept QD2 LEU 82 - QG1 ILE 96 14.286% * 3.2986% (1.00 1.00 0.38 0.33) = 3.299% kept HG3 LYS+ 56 - QG1 ILE 96 14.286% * 2.9727% (0.96 1.00 0.35 1.39) = 2.973% kept QG2 ILE 85 - QG1 ILE 96 14.286% * 0.0598% (0.34 1.00 0.02 0.02) = 0.060% QG2 THR 64 - QG1 ILE 96 14.286% * 0.0270% (0.15 1.00 0.02 0.02) = 0.027% Peak 3243 (1.61, 0.73, 27.95 ppm): 5 chemical-shift based assignments, quality = 0.976, support = 3.38, residual support = 48.6: O T HB ILE 96 - QG1 ILE 96 20.000% * 97.5895% (1.00 10.0 10.00 3.45 49.73) = 97.590% kept QG LYS+ 80 - QG1 ILE 96 20.000% * 1.3250% (0.34 1.0 1.00 0.79 2.16) = 1.325% kept T HG LEU 43 - QG1 ILE 96 20.000% * 0.9252% (0.94 1.0 10.00 0.02 0.02) = 0.925% HB VAL 94 - QG1 ILE 96 20.000% * 0.0969% (0.99 1.0 1.00 0.02 2.10) = 0.097% QB LEU 26 - QG1 ILE 96 20.000% * 0.0633% (0.65 1.0 1.00 0.02 0.02) = 0.063% Peak 3244 (4.65, 0.73, 27.95 ppm): 3 chemical-shift based assignments, quality = 0.527, support = 2.28, residual support = 38.2: O HA ILE 96 - QG1 ILE 96 33.333% * 72.0795% (0.37 10.0 2.53 49.73) = 72.080% kept HA ASP- 3 - QG1 ILE 96 33.333% * 17.0968% (0.92 1.0 1.93 13.32) = 17.097% kept HA GLU- 77 - QG1 ILE 96 33.333% * 10.8236% (0.92 1.0 1.22 1.18) = 10.824% kept Peak 3245 (1.61, 0.80, 59.99 ppm): 5 chemical-shift based assignments, quality = 0.855, support = 4.01, residual support = 39.6: O T HB ILE 96 - QG2 ILE 96 20.000% * 78.7067% (1.00 10.0 10.00 4.68 49.73) = 78.707% kept T QG LYS+ 80 - QG2 ILE 96 20.000% * 21.0895% (0.34 1.0 10.00 1.57 2.16) = 21.089% kept HB VAL 94 - QG2 ILE 96 20.000% * 0.0782% (0.99 1.0 1.00 0.02 2.10) = 0.078% HG LEU 43 - QG2 ILE 96 20.000% * 0.0746% (0.94 1.0 1.00 0.02 0.02) = 0.075% QB LEU 26 - QG2 ILE 96 20.000% * 0.0510% (0.65 1.0 1.00 0.02 0.02) = 0.051% Peak 3246 (3.00, 0.80, 59.99 ppm): 7 chemical-shift based assignments, quality = 0.42, support = 2.84, residual support = 6.54: HB2 TYR 97 - QG2 ILE 96 14.286% * 95.0865% (0.41 2.99 6.88) = 95.087% kept QE LYS+ 11 - QG2 ILE 96 14.286% * 1.5347% (0.99 0.02 0.02) = 1.535% kept QE LYS+ 72 - QG2 ILE 96 14.286% * 1.5177% (0.98 0.02 0.02) = 1.518% kept QE LYS+ 20 - QG2 ILE 96 14.286% * 0.8146% (0.52 0.02 0.02) = 0.815% HD3 ARG+ 88 - QG2 ILE 96 14.286% * 0.4305% (0.28 0.02 0.02) = 0.431% HD3 ARG+ 48 - QG2 ILE 96 14.286% * 0.3447% (0.22 0.02 0.02) = 0.345% HB3 ASN 69 - QG2 ILE 96 14.286% * 0.2712% (0.17 0.02 0.02) = 0.271% Peak 3247 (4.67, 0.80, 59.99 ppm): 4 chemical-shift based assignments, quality = 0.941, support = 4.23, residual support = 43.6: O HA ILE 96 - QG2 ILE 96 25.000% * 85.4499% (0.98 10.0 4.56 49.73) = 85.450% kept HA ASP- 3 - QG2 ILE 96 25.000% * 7.3468% (0.72 1.0 2.32 13.32) = 7.347% kept HA GLU- 77 - QG2 ILE 96 25.000% * 7.1839% (0.72 1.0 2.27 1.18) = 7.184% kept HA PRO 37 - QG2 ILE 96 25.000% * 0.0194% (0.22 1.0 0.02 0.02) = 0.019% Peak 3248 (5.08, 0.80, 59.99 ppm): 3 chemical-shift based assignments, quality = 0.945, support = 1.02, residual support = 1.77: HA LYS+ 80 - QG2 ILE 96 33.333% * 66.0514% (0.92 1.35 2.16) = 66.051% kept HA LYS+ 56 - QG2 ILE 96 33.333% * 24.7905% (0.99 0.47 1.39) = 24.790% kept HA1 GLY 66 - QG2 ILE 96 33.333% * 9.1581% (1.00 0.17 0.02) = 9.158% kept Peak 3249 (8.25, 0.80, 59.99 ppm): 1 chemical-shift based assignment, quality = 0.763, support = 2.66, residual support = 13.3: HN ASP- 3 - QG2 ILE 96 100.000% *100.0000% (0.76 2.66 13.32) = 100.000% kept Peak 3250 (8.25, 1.62, 39.60 ppm): 1 chemical-shift based assignment, quality = 0.757, support = 2.66, residual support = 13.3: HN ASP- 3 - HB ILE 96 100.000% *100.0000% (0.76 2.66 13.32) = 100.000% kept Peak 3251 (5.50, 0.63, 56.11 ppm): 1 chemical-shift based assignment, quality = 0.978, support = 0.02, residual support = 0.02: HA TYR 86 - QD1 ILE 96 100.000% *100.0000% (0.98 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 3252 (6.49, 0.63, 56.11 ppm): 1 chemical-shift based assignment, quality = 0.996, support = 0.471, residual support = 0.471: HD22 ASN 29 - QD1 ILE 96 100.000% *100.0000% (1.00 0.47 0.47) = 100.000% kept Not enough support, support cutoff is 0.52 Peak unassigned. Peak 3253 (6.64, 0.63, 56.11 ppm): 1 chemical-shift based assignment, quality = 0.34, support = 1.2, residual support = 1.41: HE22 GLN 8 - QD1 ILE 96 100.000% *100.0000% (0.34 1.20 1.41) = 100.000% kept Peak 3254 (7.14, 0.63, 56.11 ppm): 1 chemical-shift based assignment, quality = 0.963, support = 0.648, residual support = 0.648: HN PHE 32 - QD1 ILE 96 100.000% *100.0000% (0.96 0.65 0.65) = 100.000% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 3255 (8.26, 0.63, 56.11 ppm): 1 chemical-shift based assignment, quality = 0.978, support = 3.82, residual support = 13.3: HN ASP- 3 - QD1 ILE 96 100.000% *100.0000% (0.98 3.82 13.32) = 100.000% kept Peak 3256 (9.38, 0.63, 56.11 ppm): 3 chemical-shift based assignments, quality = 0.393, support = 1.82, residual support = 1.95: HN VAL 61 - QD1 ILE 96 33.333% * 83.9561% (0.34 2.13 2.32) = 83.956% kept HN GLY 66 - QD1 ILE 96 33.333% * 15.5861% (0.69 0.20 0.02) = 15.586% kept HN GLU- 68 - QD1 ILE 96 33.333% * 0.4578% (0.20 0.02 0.02) = 0.458% Peak 3257 (8.25, 0.73, 27.95 ppm): 1 chemical-shift based assignment, quality = 0.763, support = 2.66, residual support = 13.3: HN ASP- 3 - QG1 ILE 96 100.000% *100.0000% (0.76 2.66 13.32) = 100.000% kept Peak 3258 (6.99, 3.02, 41.24 ppm): 2 chemical-shift based assignments, quality = 0.75, support = 0.643, residual support = 1.79: HN PHE 70 - HB2 TYR 97 50.000% * 56.5537% (0.59 0.84 2.80) = 56.554% kept HE ARG+ 90 - HB2 TYR 97 50.000% * 43.4463% (0.97 0.39 0.47) = 43.446% kept Peak 3259 (4.02, 4.44, 45.10 ppm): 6 chemical-shift based assignments, quality = 0.558, support = 0.995, residual support = 4.46: O T HA2 GLY 98 - HA1 GLY 98 16.667% * 99.4742% (0.56 10.0 10.00 1.00 4.48) = 99.474% kept HA1 GLY 58 - HA1 GLY 98 16.667% * 0.1741% (0.98 1.0 1.00 0.02 0.02) = 0.174% HA2 GLY 66 - HA1 GLY 98 16.667% * 0.1343% (0.76 1.0 1.00 0.02 0.02) = 0.134% HA1 GLY 5 - HA1 GLY 98 16.667% * 0.1137% (0.64 1.0 1.00 0.02 0.02) = 0.114% HA LYS+ 72 - HA1 GLY 98 16.667% * 0.0599% (0.34 1.0 1.00 0.02 0.02) = 0.060% HB2 SER 15 - HA1 GLY 98 16.667% * 0.0438% (0.25 1.0 1.00 0.02 0.02) = 0.044% Peak 3260 (4.42, 4.04, 45.10 ppm): 5 chemical-shift based assignments, quality = 0.792, support = 0.998, residual support = 4.47: O T HA1 GLY 98 - HA2 GLY 98 20.000% * 99.8067% (0.79 10.0 10.00 1.00 4.48) = 99.807% kept HA TRP 67 - HA2 GLY 98 20.000% * 0.0905% (0.72 1.0 1.00 0.02 0.02) = 0.091% HA GLU- 6 - HA2 GLY 98 20.000% * 0.0425% (0.34 1.0 1.00 0.02 0.02) = 0.043% HB THR 64 - HA2 GLY 98 20.000% * 0.0385% (0.31 1.0 1.00 0.02 0.02) = 0.038% HA ASN 29 - HA2 GLY 98 20.000% * 0.0218% (0.17 1.0 1.00 0.02 0.02) = 0.022% Peak 3261 (8.70, 4.04, 45.10 ppm): 5 chemical-shift based assignments, quality = 0.637, support = 1.26, residual support = 4.46: O HN GLY 98 - HA2 GLY 98 20.000% * 99.4259% (0.64 10.0 1.27 4.48) = 99.426% kept HN ASP- 78 - HA2 GLY 98 20.000% * 0.2293% (0.94 1.0 0.02 0.02) = 0.229% HN LYS+ 56 - HA2 GLY 98 20.000% * 0.1941% (0.79 1.0 0.02 0.02) = 0.194% HN LEU 82 - HA2 GLY 98 20.000% * 0.1180% (0.48 1.0 0.02 0.02) = 0.118% HN PHE 13 - HA2 GLY 98 20.000% * 0.0328% (0.13 1.0 0.02 0.02) = 0.033% Peak 3262 (9.47, 4.04, 45.10 ppm): 1 chemical-shift based assignment, quality = 0.757, support = 0.75, residual support = 1.5: HN LYS+ 11 - HA2 GLY 98 100.000% *100.0000% (0.76 0.75 1.50) = 100.000% kept Peak 3263 (9.46, 4.44, 45.10 ppm): 1 chemical-shift based assignment, quality = 0.338, support = 0.75, residual support = 1.5: HN LYS+ 11 - HA1 GLY 98 100.000% *100.0000% (0.34 0.75 1.50) = 100.000% kept Peak 3265 (7.51, 2.60, 38.76 ppm): 2 chemical-shift based assignments, quality = 0.346, support = 0.702, residual support = 0.808: HN LYS+ 60 - HB3 ASN 100 50.000% * 67.1822% (0.40 0.75 1.01) = 67.182% kept HN THR 39 - HB3 ASN 100 50.000% * 32.8178% (0.24 0.60 0.39) = 32.818% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 3266 (7.51, 2.74, 38.76 ppm): 2 chemical-shift based assignments, quality = 0.346, support = 0.702, residual support = 0.808: HN LYS+ 60 - HB2 ASN 100 50.000% * 67.1822% (0.40 0.75 1.01) = 67.182% kept HN THR 39 - HB2 ASN 100 50.000% * 32.8178% (0.24 0.60 0.39) = 32.818% kept Not enough total support, support cutoff is 1.04 Peak unassigned. Peak 3269 (9.20, 0.43, 24.06 ppm): 2 chemical-shift based assignments, quality = 0.566, support = 1.43, residual support = 1.13: HN TYR 81 - QD2 LEU 76 50.000% * 81.0054% (0.65 1.52 1.37) = 81.005% kept HN ARG+ 57 - QD2 LEU 76 50.000% * 18.9946% (0.22 1.03 0.10) = 18.995% kept Peak 3270 (9.73, 3.53, 66.95 ppm): 1 chemical-shift based assignment, quality = 0.222, support = 4.57, residual support = 15.7: HN TRP 50 - QB SER 49 100.000% *100.0000% (0.22 4.57 15.65) = 100.000% kept Peak 3271 (9.73, 5.71, 56.55 ppm): 1 chemical-shift based assignment, quality = 0.221, support = 2.99, residual support = 15.7: O HN TRP 50 - HA SER 49 100.000% *100.0000% (0.22 10.0 2.99 15.65) = 100.000% kept Peaks: selected : 2559 with diagonal assignment : 366 without assignment possibility : 121 with one assignment possibility : 224 with multiple assignment possibilities : 1848 with given assignment possibilities : 0 with unique volume contribution : 484 with multiple volume contributions : 1588 eliminated by violation filter : 0 Peaks: selected : 2559 without assignment : 286 with assignment : 2273 with unique assignment : 707 with multiple assignment : 1566 with reference assignment : 850 with identical reference assignment : 409 with compatible reference assignment : 437 with incompatible reference assignment : 3 with additional reference assignment : 1 with additional assignment : 1424 Atoms with eliminated volume contribution > 2.5: HA PRO 12 3.7 HN LYS+ 17 4.0 HN LYS+ 20 3.1 QD1 LEU 22 3.0 QD1 ILE 24 3.0 HD22 ASN 29 3.0 HA GLU- 30 3.1 HN PHE 32 5.9 HE3 LYS+ 56 2.9 HA THR 64 6.4 QB GLU- 68 3.0 HG3 GLU- 68 3.1 QG1 VAL 71 3.4 QG2 VAL 71 4.7 HN ASN 74 3.4 HD22 ASN 75 2.6 QG LYS+ 80 3.1 HA TYR 81 5.4 HE22 GLN 83 5.0 HN PHE 84 3.5 HD2 ARG+ 88 4.0 HE ARG+ 90 4.1 HB THR 91 3.0 QG2 THR 91 5.0 QG2 ILE 95 4.0 QD1 ILE 96 6.0